FN Thomson Reuters Web of Science™
VR 1.0
PT J
AU Clikeman, TT
Bukovsky, EV
Wang, XB
Chen, YS
Rumbles, G
Strauss, SH
Boltalina, OV
AF Clikeman, Tyler T.
Bukovsky, Eric V.
Wang, Xue-Bin
Chen, Yu-Sheng
Rumbles, Garry
Strauss, Steven H.
Boltalina, Olga V.
TI Core Perylene Diimide Designs via Direct Bay- and
ortho-(Poly)trifluoromethylation: Synthesis, Isolation, X-ray
Structures, Optical and Electronic Properties
SO EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
LA English
DT Article
DE Aromatic substitution; Electrochemistry; Liquid chromatography;
Fluorescence; Dyes; pigments; Fluorine
ID ORGANIC SEMICONDUCTORS; 1,6-AND 1,7-REGIOISOMERS; INVERSE-PHOTOEMISSION;
CHARGE-TRANSPORT; LUMO LEVELS; THIN-FILM; NAPHTHALENE; BISIMIDES;
SUBSTITUENTS; TRANSISTORS
AB We developed an efficient solvent- and catalyst-free direct polytrifluoromethylation of solid perylene-3,4,9,10-tetracarboxylic dianhydride that produced a new family of (poly)perfluoroalkyl bay- and ortho-substituted PDIs with two different imide substituents. Direct hydrogen substitution with CN group led to the synthesis of a cyanated perfluoroalkyl PDI derivative for the first time. Absorption, steady-state and time-resolved emission, X-ray diffraction, electrochemical, and gas-phase electron affinity data allowed for systematic studies of substitution effects at bay, ortho, and imide positions in the new PDIs. Solid-state packing showed remarkable variations in the intermolecular interactions that are important for charge transport and photophysical properties. Analysis of the electrochemical data for 143 electron poor PDIs, including newly reported compounds, revealed some general trends and peculiar effects from substituting electron-withdrawing groups at all three positions.
C1 [Clikeman, Tyler T.; Bukovsky, Eric V.; Strauss, Steven H.; Boltalina, Olga V.] Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA.
[Wang, Xue-Bin] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
[Chen, Yu-Sheng] Univ Chicago, ChemMatCARS, Adv Photon Source, Argonne, IL 60439 USA.
[Rumbles, Garry] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Strauss, SH (reprint author), Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA.
EM steven.strauss@colostate.edu; olga.boltalina@colostate.edu
OI Rumbles, Garry/0000-0003-0776-1462
FU National Science Foundation (NSF), U.S. [NSF/CHE-1346572, CHE-1362302,
CHE-1012468]; Office of Basic Energy Sciences, U.S.; Colorado State
University Research Foundation; National Science Foundation
[NSF/CHE-1346572]; U.S. Department of Energy, Office of Science, and
Office of Basic Energy Sciences [DE-AC02-06CH11357]; U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences Biosciences; US Department of Energy's
Office of Biological and Environmental Research
FX The authors thank the National Science Foundation (NSF), U.S. [grant
numbers NSF/CHE-1346572, CHE-1362302, and CHE-1012468 (S.H. S., O.V. B.,
and G. R.)], the Office of Basic Energy Sciences, U.S., and the Colorado
State University Research Foundation for partial financial support.
ChemMatCARS Sector 15 is principally supported by the National Science
Foundation under grant number NSF/CHE-1346572. Use of the Advanced
Photon Source was supported by the U.S. Department of Energy, Office of
Science, and Office of Basic Energy Sciences under Contract
DE-AC02-06CH11357. The low temperature PES work was supported by the
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences & Biosciences
(X.-B. W.) and was performed at EMSL, a national scientific user
facility sponsored by the US Department of Energy's Office of Biological
and Environmental Research and located at PNNL.
NR 64
TC 2
Z9 2
U1 6
U2 42
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1434-193X
EI 1099-0690
J9 EUR J ORG CHEM
JI Eur. J. Org. Chem.
PD OCT
PY 2015
IS 30
BP 6641
EP 6654
DI 10.1002/ejoc.201501024
PG 14
WC Chemistry, Organic
SC Chemistry
GA CU2FR
UT WOS:000363339600009
ER
PT J
AU Liu, YM
Fredrickson, JK
Zachara, JM
Shi, L
AF Liu, Yimo
Fredrickson, James K.
Zachara, John M.
Shi, Liang
TI Direct involvement of ombB, omaB, and omcB genes in extracellular
reduction of Fe(III) by Geobacter sulfurreducens PCA
SO FRONTIERS IN MICROBIOLOGY
LA English
DT Article
DE Fe(III) reduction; Geobacter; porin-cytochrome; trans-outer membrane
protein complex; extracellular electron transfer
ID C-TYPE CYTOCHROMES; OUTER-MEMBRANE CYTOCHROMES; SHEWANELLA-ONEIDENSIS
MR-1; ELECTRON-TRANSPORT; PROTEIN COMPLEX; BIOFILMS; IRON; MTRC;
RESPIRATION
AB The tandem gene clusters orfR-ombB-omaB-omcB and orfS-ombC-omaC-omcC of the metal-reducing bacterium Geobacter sulfurreducens PGA are responsible for trans-outer membrane electron transfer during extracellular reduction of Fe(III)-citrate and ferrihydrite [a poorly crystalline Fe(III) oxide]. Each gene cluster encodes a putative transcriptional factor (OrfR/OrfS), a porin-like outer-membrane protein (OmbB/OmbC), a periplasmic c-type cytochrome (c-Cyt, OmaB/OmaC) and an outer-membrane c-Cyt (OmcB/OmcC). The individual roles of OmbB, OmaB and OmcB in extracellular reduction of Fe(III), however, have remained either uninvestigated or controversial. Here, we showed that replacements of ombB, omaB, omcB, and ombB-omaB with an antibiotic gene in the presence of ombC-omaC-omcC had no impact on reduction of Fe(III)-citrate by G. sulfurreducens PGA. Disruption of ombB, omaB, omcB, and ombB-omaB in the absence of ombC-omaC-omcC, however, severely impaired the bacterial ability to reduce Fe(III)-citrate as well as ferrihydrite. These results unequivocally demonstrate an overlapping role of ombB-omaB-omcB and ombC-omaC-omcC in extracellular Fe(III) reduction by G. sulfurreducens PGA. Involvement of both ombB-omaB-omcB and ombC-omaC-omcC in extracellular Fe(III) reduction reflects the importance of these trans-outer membrane protein complexes in the physiology of this bacterium. Moreover, the kinetics of Fe(III)-citrate and ferrihydrite reduction by these mutants in the absence of ombC-omaC-omcC were nearly identical, which suggests that absence of any protein subunit eliminates function of OmaB/OmbB/OmcB protein complex. Finally, orfS was found to have a negative impact on the extracellular reduction of Fe(III)-citrate and ferrihydrite in G. sulfurreducens PGA probably by serving as a transcriptional repressor.
C1 [Liu, Yimo; Fredrickson, James K.; Zachara, John M.; Shi, Liang] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Shi, L (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA.
EM liang.shi@pnnl.gov
FU Subsurface Biogeochemical Research program (SBR)/Office of Biological
and Environmental Research (BER); U.S. Department of Energy (DOE);
Pacific Northwest National Laboratory (PNNL) Scientific Focus Area;
Genome Science Program (GSP)/BER [DE-SC0007229]; DOE-BER; DOE
[DE-ACO5-76RLO 1830]
FX This work was supported by the Subsurface Biogeochemical Research
program (SBR)/Office of Biological and Environmental Research (BER),
U.S. Department of Energy (DOE), and is a contribution of the Pacific
Northwest National Laboratory (PNNL) Scientific Focus Area. YL was
supported by the Genome Science Program (GSP)/BER (DE-SC0007229). A
portion of the research was performed at the Environmental Molecular
Sciences Laboratory (EMSL), a national scientific user facility
sponsored by DOE-BER and located at PNNL. PNNL is operated for the DOE
by Battelle under contract DE-ACO5-76RLO 1830.
NR 35
TC 3
Z9 3
U1 8
U2 28
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 OCT 1
PY 2015
VL 6
AR 1075
DI 10.3389/fmicb.2015.01075
PG 8
WC Microbiology
SC Microbiology
GA CU2UI
UT WOS:000363378700003
PM 26483786
ER
PT J
AU Khodak, A
Martovetsky, N
Smirnov, A
Titus, P
AF Khodak, Andrei
Martovetsky, Nicolai
Smirnov, Aleksandre
Titus, Peter
TI Numerical analysis of modified Central Solenoid insert design
SO FUSION ENGINEERING AND DESIGN
LA English
DT Article; Proceedings Paper
CT 28th Symposium on Fusion Technology (SOFT)
CY SEP 29-OCT 03, 2014
CL San Sebastian, SPAIN
SP Spanish Res Ctr Energy Environm & Technol
DE Superconducting magnets; Numerical analysis; Computational modeling;
Finite element methods
AB The United States ITER Project Office (USIPO) is responsible for fabrication of the Central Solenoid (CS) for ITER project. The ITER machine is currently under construction by seven parties in Cadarache, France. The CS Insert (CSI) project should provide a verification of the conductor performance in relevant conditions of temperature, field, currents and mechanical strain. The US IPO designed the CSI that will be tested at the Central Solenoid Model Coil (CSMC) Test Facility at JAEA, Naka. To validate the modified design three-dimensional numerical simulations were performed using coupled solver for simultaneous structural, thermal and electromagnetic analysis. Thermal and electromagnetic simulations supported structural calculations providing necessary loads and strains. According to current analysis design of the modified coil satisfies ITER magnet structural design criteria for the following conditions: (1) room temperature, no current, (2) temperature 4K, no current, (3) temperature 4K, current 60 kA direct charge, and (4) temperature 4K, current 60 kA reverse charge. Fatigue life assessment analysis is performed for the alternating conditions of: temperature 4K, no current, and temperature 4K, current 45 kA direct charge. Results of fatigue analysis show that parts of the coil assembly can be qualified for up to 1 million cycles. Distributions of the Current Sharing Temperature (TCS) in the superconductor were obtained from numerical results using parameterization of the critical surface in the form similar to that proposed for ITER. Special ADPL scripts were developed for ANSYS allowing one-dimensional representation of TCS along the cable, as well as three-dimensional fields of TCS in superconductor material. Published by Elsevier B.V.
C1 [Khodak, Andrei; Titus, Peter] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Martovetsky, Nicolai; Smirnov, Aleksandre] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Khodak, A (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
EM akhodak@pppl.gov
NR 6
TC 0
Z9 0
U1 2
U2 8
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0920-3796
EI 1873-7196
J9 FUSION ENG DES
JI Fusion Eng. Des.
PD OCT
PY 2015
VL 98-99
BP 1086
EP 1089
DI 10.1016/j.fusengdes.2015.06.033
PN B
PG 4
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CU2HP
UT WOS:000363344900011
ER
PT J
AU Boscary, J
Lore, J
Lumsdaine, A
Maier, M
McGinnis, D
Peacock, A
Tretter, J
AF Boscary, J.
Lore, J.
Lumsdaine, A.
Maier, M.
McGinnis, D.
Peacock, A.
Tretter, J.
TI Development activities of the high heat flux scraper element
SO FUSION ENGINEERING AND DESIGN
LA English
DT Article; Proceedings Paper
CT 28th Symposium on Fusion Technology (SOFT)
CY SEP 29-OCT 03, 2014
CL San Sebastian, SPAIN
SP Spanish Res Ctr Energy Environm & Technol
DE Stellarator; Wendelstein 7-X; Plasma facing component; Divertor;
Monoblock
ID RESEARCH-AND-DEVELOPMENT; WENDELSTEIN 7-X; TARGET ELEMENTS; ITER
DIVERTOR; DESIGN; W7-X; CONSTRUCTION; STELLARATOR; COMPONENTS
AB The function of the high heat flux scraper element is to reduce the heat loads on the element ends of the actively cooled divertor of Wendelstein 7-X. The scraper element is actively water cooled to remove up to 550 kW steady state power load, with localized heat fluxes as high as 20 MW/m(2). Its surface area, 0.17 m(2), is contoured to optimally intercept both upstream and downstream particle fluxes. The plasma facing surface is made of 24 individual scraper fingers based on the monoblock technology. Each scraper finger is 247 mm long and 28 mm wide and has 13 monoblocks made of CFC NB31 bonded by hot isostatic pressing onto a CuCrZr cooling tube equipped with a copper twisted tape. Development activities, described here, include the design and fabrication of prototypes to validate the different technologies selected for the scraper element design to prepare a possible production. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Boscary, J.; Maier, M.; Peacock, A.; Tretter, J.] Max Planck Inst Plasma Phys, D-85748 Garching, Germany.
[Lore, J.; Lumsdaine, A.; McGinnis, D.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Boscary, J (reprint author), Max Planck Inst Plasma Phys, Boltzmannstr 2, D-85748 Garching, Germany.
EM jean.boscary@ipp.mpg.de
OI Lore, Jeremy/0000-0002-9192-465X
NR 15
TC 3
Z9 3
U1 0
U2 1
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0920-3796
EI 1873-7196
J9 FUSION ENG DES
JI Fusion Eng. Des.
PD OCT
PY 2015
VL 98-99
BP 1231
EP 1234
DI 10.1016/j.fusengdes.2014.12.019
PN B
PG 4
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CU2HP
UT WOS:000363344900041
ER
PT J
AU Lumsdaine, A
Boscary, J
Fellinger, J
Harris, J
Holbe, H
Konig, R
Lore, J
McGinnis, D
Neilson, H
Titus, P
Tretter, J
AF Lumsdaine, Arnold
Boscary, Jean
Fellinger, Joris
Harris, Jeff
Hoelbe, Hauke
Koenig, Ralf
Lore, Jeremy
McGinnis, Dean
Neilson, Hutch
Titus, Peter
Tretter, Joerg
TI Design of the Wendelstein 7-X inertially cooled Test Divertor Unit
Scraper Element
SO FUSION ENGINEERING AND DESIGN
LA English
DT Article; Proceedings Paper
CT 28th Symposium on Fusion Technology (SOFT)
CY SEP 29-OCT 03, 2014
CL San Sebastian, SPAIN
SP Spanish Res Ctr Energy Environm & Technol
DE Wendelstein 7-X; Stellarator; Plasma facing component; Divertor; High
heat flux
AB The Wendelstein 7-X stellarator is scheduled to begin operation in 2015, and to achieve full power steadystate operation in 2019. Computational simulations have indicated that for certain plasma configurations in the steady-state operation, the ends of the divertor targets may receive heat fluxes beyond their qualified technological limit. To address this issue, a high heat-flux "scraper element" (HHF-SE) has been designed that can protect the sensitive divertor target region. The surface profile of the HHF-SE has been carefully designed to meet challenging engineering requirements and severe spatial limitations through an iterative process involving physics simulations, engineering analysis, and computer aided design rendering. The desire to examine how the scraper element interacts with the plasma, both in terms of how it protects the divertor, and how it affects the neutral pumping efficiency, has led to the consideration of installing an inertially cooled version during the short pulse operation phase. This Test Divertor Unit Scraper Element (TDU-SE) would replicate the surface profile of the HHF-SE. The design and instrumentation of this component must be completed carefully in order to satisfy the requirements of the machine operation, as well as to support the possible installation of the HHF-SE for steady-state operation. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Lumsdaine, Arnold; Harris, Jeff; Lore, Jeremy; McGinnis, Dean] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Boscary, Jean] Max Planck Inst Plasma Phys, D-85748 Garching, Germany.
[Fellinger, Joris; Hoelbe, Hauke; Koenig, Ralf] Max Planck Inst Plasma Phys, Greifswald, Germany.
[Neilson, Hutch; Titus, Peter; Tretter, Joerg] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
RP Lumsdaine, A (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM lumsdainea@ornl.gov
OI Lore, Jeremy/0000-0002-9192-465X
NR 10
TC 3
Z9 3
U1 0
U2 2
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0920-3796
EI 1873-7196
J9 FUSION ENG DES
JI Fusion Eng. Des.
PD OCT
PY 2015
VL 98-99
BP 1357
EP 1361
DI 10.1016/j.fusengdes.2015.02.012
PN B
PG 5
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CU2HP
UT WOS:000363344900068
ER
PT J
AU Giacomin, T
Delhom, D
Drevon, JM
Guirao, J
Iglesias, S
Jourdan, T
Loesser, D
Maquet, P
Ordieres, J
Pak, S
Proust, M
Smith, M
Udintsev, VS
Vacas, C
Walsh, MJ
Zhai, Y
AF Giacomin, T.
Delhom, D.
Drevon, J. -M.
Guirao, J.
Iglesias, S.
Jourdan, T.
Loesser, D.
Maquet, P.
Ordieres, J.
Pak, S.
Proust, M.
Smith, M.
Udintsev, V. S.
Vacas, C.
Walsh, M. J.
Zhai, Y.
TI Engineering requirements due to the ESP/ESPN regulation apply at the
port plug for ITER diagnostic system
SO FUSION ENGINEERING AND DESIGN
LA English
DT Article; Proceedings Paper
CT 28th Symposium on Fusion Technology (SOFT)
CY SEP 29-OCT 03, 2014
CL San Sebastian, SPAIN
SP Spanish Res Ctr Energy Environm & Technol
DE ITER; Port plug; Diagnostic first wall; ESP; ESPN
AB Due to this position close to the plasma, the port plug structure and the diagnostic first wall (DFW) contain water to allow cooling during operation and for heating during bake-out. To remove the heat coming from the plasma due to radiation and neutrons, the pressure inside these structures should be up to 44 bars. On the other hand, the dominant load expected to drive the design of these structures is of electromagnetic origin during the plasma disruption. Description of the loads acting on DFWs and generic port plug structures and the significance of the load due to the water pressure, with implications on the design and inspection, are discussed in this paper. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Giacomin, T.; Jourdan, T.; Maquet, P.; Pak, S.; Udintsev, V. S.; Walsh, M. J.] ITER Org, F-13115 St Paul Les Durance, France.
[Delhom, D.; Drevon, J. -M.] Bertin Technol, Aix En Provence, France.
[Proust, M.] CEA Cadarache, St Paul Les Durance, France.
[Guirao, J.; Iglesias, S.; Ordieres, J.; Vacas, C.] NATEC Ingn, Madrid, Spain.
[Loesser, D.; Smith, M.; Zhai, Y.] Princeton Plasma Phys Lab, Princeton, NJ USA.
RP Giacomin, T (reprint author), ITER Org, Route Vinon Sur Verdon, F-13115 St Paul Les Durance, France.
EM Thibaud.Giacomin@iter.org
NR 0
TC 0
Z9 0
U1 3
U2 3
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0920-3796
EI 1873-7196
J9 FUSION ENG DES
JI Fusion Eng. Des.
PD OCT
PY 2015
VL 98-99
BP 1488
EP 1491
DI 10.1016/j.fusengdes.2015.05.073
PN B
PG 4
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CU2HP
UT WOS:000363344900097
ER
PT J
AU Cadwallader, LC
Willms, RS
AF Cadwallader, Lee C.
Willms, R. Scott
TI TSTA piping and flame arrestor operating experience data
SO FUSION ENGINEERING AND DESIGN
LA English
DT Article; Proceedings Paper
CT 28th Symposium on Fusion Technology (SOFT)
CY SEP 29-OCT 03, 2014
CL San Sebastian, SPAIN
SP Spanish Res Ctr Energy Environm & Technol
DE Tritium piping; Flame arrestor; Failure rate
ID RELIABILITY
AB The Tritium Systems Test Assembly (TSTA) was a facility dedicated to tritium handling technology and experiment research at the Los Alamos National Laboratory. The facility was operated with tritium for its research and development program from 1984 to 2001, running a prototype fusion fuel processing loop with similar to 100 g of tritium as well as small experiments. There have been several operating experience reports written on this facility's operation and maintenance experience. This paper describes reliability analysis of two additional components from TSTA, small diameter copper gas piping that handled tritium in a nitrogen carrier gas, and the flame arrestor used in this piping system. The component failure rates for these components are discussed in this paper. Comparison data from other applications are also presented. (C) 2014 Elsevier B.V. All rights reserved.
C1 [Cadwallader, Lee C.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Willms, R. Scott] ITER Int Org, Cadarache, France.
RP Cadwallader, LC (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA.
EM Lee.Cadwallader@inl.gov
NR 18
TC 0
Z9 0
U1 0
U2 0
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0920-3796
EI 1873-7196
J9 FUSION ENG DES
JI Fusion Eng. Des.
PD OCT
PY 2015
VL 98-99
BP 2112
EP 2115
DI 10.1016/j.fusengdes.2014.11.013
PN B
PG 4
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CU2HP
UT WOS:000363344900237
ER
PT J
AU Merrill, BJ
AF Merrill, Brad J.
TI Modeling an unmitigated thermal quench event in a large field magnet in
a DEMO reactor
SO FUSION ENGINEERING AND DESIGN
LA English
DT Article; Proceedings Paper
CT 28th Symposium on Fusion Technology (SOFT)
CY SEP 29-OCT 03, 2014
CL San Sebastian, SPAIN
SP Spanish Res Ctr Energy Environm & Technol
DE Fusion safety; Unmitigated quench; Magnet accident
AB The superconducting magnet systems of future fusion reactors, such as a demonstration power plant (DEMO), will produce magnetic field energies in the 10 s of GJ range. The release of this energy during a fault condition could produce arcs that can damage the magnets of these systems. The public safety consequences of such events must be explored for a DEMO reactor because the magnets are located near the DEMO's primary radioactive confinement barrier, the reactor's vacuum vessel (VV). Great care will be taken in the design of DEMO's magnet systems to detect and provide a rapid field energy dump to avoid any accidents conditions. During an event when a fault condition proceeds undetected, the potential of producing melting of the magnet exists. If molten material from the magnet impinges on the walls of the W, these walls could fail, resulting in a pathway for release of radioactive material from the VV. A model is under development at Idaho National Laboratory (INL) called MAGARC to investigate the consequences of this accident in a large toroidal field (TF) coil. Recent improvements to this model are described in this paper, along with predictions for a DEMO relevant event in a toroidal field magnet. (C) 2015 Elsevier B.V. All rights reserved.
C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Merrill, BJ (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA.
EM Brad.Merrill@inl.gov
NR 6
TC 0
Z9 0
U1 1
U2 1
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0920-3796
EI 1873-7196
J9 FUSION ENG DES
JI Fusion Eng. Des.
PD OCT
PY 2015
VL 98-99
BP 2196
EP 2200
DI 10.1016/j.fusengdes.2015.03.007
PN B
PG 5
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CU2HP
UT WOS:000363344900255
ER
PT J
AU Akerstedt, H
Muschter, S
Drake, G
Anderson, K
Bohm, C
Oreglia, M
Tang, FK
AF Akerstedt, Henrik
Muschter, Steffen
Drake, Gary
Anderson, Kelby
Bohm, Christian
Oreglia, Mark
Tang, Fukun
TI Reliable and Redundant FPGA Based Read-Out Design in the ATLAS TileCal
Demonstrator
SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE
LA English
DT Article
DE ATLAS; data acquisition; digital signal processing; dose rate effects;
electronics; error correction; fault tolerance; FPGAs; front-end
electronics; kintex; proton radiation effects; radiation damage;
radiation effects; radiation hardness; redundancy; single event effects;
single event mitigation; tileCal
AB The current ATLAS Tile Calorimeter read-out system is scheduled for replacement around 2023 due to old age and higher performance needs. The new proposed system is designed to be radiation tolerant, modular, redundant and reconfigurable. To achieve full detector read-out, Kintex-7 FPGAs from Xilinx will be used, in addition to multiple 10 Gb/s optical read-out links. During 2015/2016, a hybrid demonstrator system including the new read-out system will be installed in one slice of the ATLAS Tile Calorimeter to evaluate the new design. This paper describes different firmware strategies along with their integration in the demonstrator in the context of high reliability protection against hardware malfunction and radiation induced errors.
C1 [Akerstedt, Henrik; Muschter, Steffen; Bohm, Christian] Stockholm Univ, S-10691 Stockholm, Sweden.
[Drake, Gary] Argonne Natl Lab, Chicago, IL 60439 USA.
[Anderson, Kelby; Oreglia, Mark; Tang, Fukun] Univ Chicago, Chicago, IL 60628 USA.
RP Akerstedt, H (reprint author), Stockholm Univ, S-10691 Stockholm, Sweden.
EM henrik.akerstedt@fysik.su.se
NR 12
TC 0
Z9 0
U1 1
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 OCT
PY 2015
VL 62
IS 5
BP 2129
EP 2133
DI 10.1109/TNS.2015.2463097
PN 2
PG 5
WC Engineering, Electrical & Electronic; Nuclear Science & Technology
SC Engineering; Nuclear Science & Technology
GA CU0XU
UT WOS:000363243200003
ER
PT J
AU Giacomini, G
Bosisio, L
Betta, GFD
Mendicino, R
Ratti, L
AF Giacomini, Gabriele
Bosisio, Luciano
Betta, Gian-Franco Dalla
Mendicino, Roberto
Ratti, Lodovico
TI Integrated Source Follower for the Read-Out of Silicon Sensor Arrays
SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE
LA English
DT Article
DE Detector array; integrated electronics; JFET; microstrip silicon
detectors; noise; silicon radiation detectors
ID FABRICATION PROCESS; DRIFT DETECTORS; ELECTRONICS; PERFORMANCE; JFETS
AB The Source Follower (SF) as the first amplification stage of the front-end electronics has proven to be an effective tool for low-noise read-out of silicon radiation sensors. Since the noise properties of a well-designed amplification circuit are mainly determined by its very first stage, constraints on the subsequent electronics are relaxed. Moreover, since the SF is characterized by a low output resistance, once it is completely integrated into the detector substrate, the connections to the out-of-chip part of the circuit are also relaxed. The effectiveness of this solution and the overall performance of the system depend on the sensor properties. In this paper, by presenting analytical calculations and measurements, we identify the sensor types that could profit from the advantages provided by the integrated SF, and the devices where the SF shows some pitfalls. Although the results presented in this paper have been obtained with an integrated JFET technology, the conclusions are valid for whatever technology the SF is made.
C1 [Giacomini, Gabriele] FBK, Upton, NY 11973 USA.
[Bosisio, Luciano] Univ Trieste, Dept Phys, I-34127 Trieste, Italy.
[Bosisio, Luciano] INFN Trieste, Trieste, Italy.
[Betta, Gian-Franco Dalla; Mendicino, Roberto] Univ Trento, Dept Ind Engn, I-38123 Trento, Italy.
[Betta, Gian-Franco Dalla; Mendicino, Roberto] INFN TIFPA, Trento, Italy.
[Ratti, Lodovico] Univ Pavia, Dept Elect Comp & Biomed Engn, I-27100 Pavia, Italy.
[Ratti, Lodovico] Ist Nazl Fis Nucl, I-27100 Pavia, Italy.
RP Giacomini, G (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM giacomini@bnl.gov; bosisio@ts.infn.it; gianfranco.dallabetta@unitn.it;
lodovico.ratti@unipv.it
RI Dalla Betta, Gian-Franco/I-1783-2012;
OI Dalla Betta, Gian-Franco/0000-0001-5516-9282; RATTI,
LODOVICO/0000-0003-1906-1076
FU Italian Ministry for Education, University and Research (MIUR)
[COFIN-03]; National Institute for Nuclear Physics of Italy (INFN)
FX This work has been partially supported by the Italian Ministry for
Education, University and Research (MIUR), under the project COFIN-03,
and by the National Institute for Nuclear Physics of Italy (INFN).
NR 19
TC 0
Z9 0
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 OCT
PY 2015
VL 62
IS 5
BP 2187
EP 2193
DI 10.1109/TNS.2015.2475402
PN 2
PG 7
WC Engineering, Electrical & Electronic; Nuclear Science & Technology
SC Engineering; Nuclear Science & Technology
GA CU0XU
UT WOS:000363243200009
ER
PT J
AU Barwick, SW
Berg, EC
Besson, DZ
Duffin, T
Hanson, JC
Klein, SR
Kleinfelder, SA
Ratzlaff, K
Reed, C
Roumi, M
Stezelberger, T
Tatar, J
Walker, J
Young, R
Zou, L
AF Barwick, S. W.
Berg, E. C.
Besson, D. Z.
Duffin, T.
Hanson, J. C.
Klein, S. R.
Kleinfelder, S. A.
Ratzlaff, K.
Reed, C.
Roumi, M.
Stezelberger, T.
Tatar, J.
Walker, J.
Young, R.
Zou, L.
TI Design and Performance of the ARIANNA HRA-3 Neutrino Detector Systems
SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE
LA English
DT Article
DE Analog integrated circuits; Antarctica; antenna arrays; astrophysics;
embedded software; ice shelf; mesh networks; programmable logic arrays;
switched capacitor circuits
ID ROSS ICE SHELF; COSMIC NEUTRINOS; RADIO ARRAY; ACQUISITION; SPECTRUM
AB We report on the development, installation, and operation of the first three of seven stations deployed at the ARIANNA site's pilot Hexagonal Radio Array (HRA) in Antarctica. The primary goal of the ARIANNA project is to observe ultrahigh energy (> 100 PeV) cosmogenic neutrino signatures using a large array of autonomous stations, each 1 km apart on the surface of the Ross Ice Shelf. Sensing radio emissions of 100 MHz to 1 GHz, each station in the array contains RF antennas, amplifiers, 1.92 G-sample/s, 850 MHz bandwidth signal acquisition circuitry, pattern-matching trigger capabilities, an embedded CPU, 32 GB of solid-state data storage, and long-distance wireless and satellite communications. Power is provided by the sun and buffered in LiFePO4 storage batteries, and each station consumes an average of 7 W of power. Operation on solar power has resulted in >= 58% per calendar-year live-time. The station's pattern-trigger capabilities reduce the trigger rates to a few milli-Hertz with 4-sigma voltage thresholds while retaining good stability and high efficiency for neutrino signals. The timing resolution of the station has been found to be 0.049 ns, RMS, and the angular precision of event reconstructions of signals bounced off of the sea-ice interface of the Ross Ice Shelf ranged from 0.14 to 0.17 degrees.
C1 [Barwick, S. W.; Berg, E. C.; Duffin, T.; Reed, C.; Walker, J.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA.
[Kleinfelder, S. A.; Roumi, M.; Zou, L.] Univ Calif Irvine, Dept Elect Engn & Comp Sci, Irvine, CA 92697 USA.
[Besson, D. Z.; Hanson, J. C.] Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA.
[Besson, D. Z.; Hanson, J. C.] Moscow Engn Phys Inst, Moscow 115409, Russia.
[Klein, S. R.; Stezelberger, T.; Tatar, J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Ratzlaff, K.; Young, R.] Univ Kansas, Instrumentat Design Lab, Lawrence, KS 66045 USA.
RP Kleinfelder, SA (reprint author), Univ Calif Irvine, Dept Elect Engn & Comp Sci, Irvine, CA 92697 USA.
EM stuartk@uci.edu
FU Office of Polar Program of U.S. National Science Foundation; Physics
Division of U.S. National Science Foundation [ANT-08339133, NSF-0970175,
NSF-1126672]
FX This work was supported by funding from the Office of Polar Programs and
the Physics Division of the U.S. National Science Foundation, including
via grant awards ANT-08339133, NSF-0970175, and NSF-1126672.
NR 31
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 OCT
PY 2015
VL 62
IS 5
BP 2202
EP 2215
DI 10.1109/TNS.2015.2468182
PN 2
PG 14
WC Engineering, Electrical & Electronic; Nuclear Science & Technology
SC Engineering; Nuclear Science & Technology
GA CU0XU
UT WOS:000363243200011
ER
PT J
AU Miller, EA
White, TA
Jarman, KD
Kouzes, RT
Kulisek, JA
Robinson, SM
Wittman, RA
AF Miller, Erin A.
White, Timothy A.
Jarman, Kenneth D.
Kouzes, Richard T.
Kulisek, Jonathan A.
Robinson, Sean M.
Wittman, Richard A.
TI Combining Radiography and Passive Measurements for Radiological Threat
Localization in Cargo
SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE
LA English
DT Article
DE Imaging applications; radiation detectors; radiation modeling;
radiography; security applications
ID ATTENUATION CORRECTION; PET/CT SCANNER; REAL-TIME; SPECT; CT
AB Detecting shielded special nuclear material (SNM) in a cargo container is a difficult problem, since shielding reduces the amount of radiation escaping the container. Radiography provides information that is complementary to that provided by passive gamma-ray detection systems: while not directly sensitive to radiological materials, radiography can reveal highly shielded regions that may mask a passive radiological signal. Combining these measurements has the potential to improve SNM detection, either through improved sensitivity or by providing a solution to the inverse problem to estimate source properties (strength and location). We present a data-fusion method that uses a radiograph to provide an estimate of the radiation-transport environment for gamma rays from potential sources. This approach makes quantitative use of radiographic images without relying on image interpretation, and results in a probabilistic description of likely source locations and strengths. We present results for this method for a modeled test case of a cargo container passing through a plastic-scintillator-based radiation portal monitor and a transmission-radiography system. We find that a radiograph-based inversion scheme allows for localization of a low-noise source placed randomly within the test container to within 40 cm, compared to 70 cm for triangulation alone, while strength estimation accuracy is improved by a factor of six. Improvements are seen in regions of both high and low shielding, but are most pronounced in highly shielded regions. The approach proposed here combines transmission and emission data in a manner that has not been explored in the cargo-screening literature, advancing the ability to accurately describe a hidden source based on currently-available instrumentation.
C1 [Miller, Erin A.; White, Timothy A.; Jarman, Kenneth D.; Kouzes, Richard T.; Kulisek, Jonathan A.; Wittman, Richard A.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Robinson, Sean M.] Pacific NW Natl Lab, Seattle, WA 98109 USA.
RP Miller, EA (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM erin.miller@pnnl.gov; timothy.white@pnnl.gov; kj@pnnl.gov;
RKouzes@pnnl.gov; Jonathan.Kulisek@pnnl.gov; sean.robinson@pnnl.gov;
richard.wittman@pnnl.gov
RI Jarman, Kenneth/B-6157-2011
OI Jarman, Kenneth/0000-0002-4396-9212
FU Laboratory Directed Research and Development program at Pacific
Northwest National Laboratory (PNNL); U.S. Department of Energy
[DE-AC05-76RLO 1830]
FX This work was supported by the Laboratory Directed Research and
Development program at Pacific Northwest National Laboratory (PNNL).
PNNL is operated by Battelle Memorial Institute for the U.S. Department
of Energy under contract DE-AC05-76RLO 1830.
NR 33
TC 1
Z9 1
U1 2
U2 8
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 OCT
PY 2015
VL 62
IS 5
BP 2234
EP 2244
DI 10.1109/TNS.2015.2474146
PN 2
PG 11
WC Engineering, Electrical & Electronic; Nuclear Science & Technology
SC Engineering; Nuclear Science & Technology
GA CU0XU
UT WOS:000363243200014
ER
PT J
AU Funsten, HO
Harper, RW
Dors, EE
Janzen, PA
Larsen, BA
MacDonald, EA
Poston, DI
Ritzau, SM
Skoug, RM
Zurbuchen, TH
AF Funsten, Herbert O.
Harper, Ronnie W.
Dors, Eric E.
Janzen, Paul A.
Larsen, Brian A.
MacDonald, Elizabeth A.
Poston, David I.
Ritzau, Stephen M.
Skoug, Ruth M.
Zurbuchen, Thomas H.
TI Comparative Response of Microchannel Plate and Channel Electron
Multiplier Detectors to Penetrating Radiation in Space
SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE
LA English
DT Article
DE Electron multipliers; gamma-ray effects; plasma measurements; radiation
effects
ID X-RAY; EFFICIENCY; PROTONS; MODEL; FATIGUE
AB Channel electron multiplier (CEM) and microchannel plate (MCP) detectors are routinely used in space instrumentation for measurement of space plasmas. Our goal is to understand the relative sensitivities of these detectors to penetrating radiation in space, which can generate background counts and shorten detector lifetime. We use 662 keV gamma-rays as a proxy for penetrating radiation such as gamma-rays, cosmic rays, and high-energy electrons and protons that are ubiquitous in the space environment. We find that MCP detectors are similar to 20 times more sensitive to 662 keV gamma-rays than CEM detectors. This is attributed to the larger total area of multiplication channels in an MCP detector that is sensitive to electronic excitation and ionization resulting from the interaction of penetrating radiation with the detector material. In contrast to the CEM detector, whose quantum efficiency epsilon(gamma) for 662 keV gamma-rays is found to be 0.00175 and largely independent of detector bias, the quantum efficiency of the MCP detector is strongly dependent on the detector bias, with a power law index of 5.5. Background counts in MCP detectors from penetrating radiation can be reduced using MCP geometries with higher pitch and smaller channel diameter.
C1 [Funsten, Herbert O.] Los Alamos Natl Lab, Intelligence & Space Res Div, Los Alamos, NM 87545 USA.
[Harper, Ronnie W.; Larsen, Brian A.; Skoug, Ruth M.] Los Alamos Natl Lab, Intelligence & Space Res Div, Los Alamos, NM 87545 USA.
[Dors, Eric E.] Los Alamos Natl Lab, Emerging Threats Program Off, Los Alamos, NM 87545 USA.
[Janzen, Paul A.] Univ Montana, Dept Phys & Astron, Missoula, MT 59812 USA.
[MacDonald, Elizabeth A.] Goddard Space Flight Ctr, Sci & Explorat Directorate, Greenbelt, MD 20771 USA.
[Poston, David I.] Los Alamos Natl Lab, Syst Design & Anal Grp, Los Alamos, NM 87545 USA.
[Ritzau, Stephen M.] Photonis USA Inc, Sturbridge, MA 01566 USA.
[Zurbuchen, Thomas H.] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA.
RP Funsten, HO (reprint author), Los Alamos Natl Lab, Intelligence & Space Res Div, POB 1663, Los Alamos, NM 87545 USA.
EM hfun-sten@lanl.gov; rharper@lanl.gov; edors@lanl.gov;
paul.janzen@umontana.edu; balarsen@lanl.gov;
elizabeth.a.mac-donald@nasa.gov; poston@lanl.gov;
S.Ritzau@usa.photonis.com; rskoug@lanl.gov; thomasz@umich.edu
OI Funsten, Herbert/0000-0002-6817-1039
FU U.S. Department of Energy
FX Work at Los Alamos was enabled by the Laboratory Directed Research and
Development Program and performed under the auspices of the U.S.
Department of Energy.
NR 42
TC 2
Z9 2
U1 2
U2 10
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 OCT
PY 2015
VL 62
IS 5
BP 2283
EP 2293
DI 10.1109/TNS.2015.2464174
PN 2
PG 11
WC Engineering, Electrical & Electronic; Nuclear Science & Technology
SC Engineering; Nuclear Science & Technology
GA CU0XU
UT WOS:000363243200019
ER
PT J
AU Ding, HT
Karsch, F
Mukherjee, S
AF Ding, Heng-Tong
Karsch, Frithjof
Mukherjee, Swagato
TI Thermodynamics of strong-interaction matter from lattice QCD
SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS
LA English
DT Review
DE Lattice QCD; quark-gluonplasma; relativistic heavy-ion collisions
ID HEAVY-ION COLLISIONS; SU(2) GAUGE-THEORY; MAXIMUM-ENTROPY ANALYSIS;
EXACTLY MASSLESS QUARKS; HIGH-TEMPERATURE; CONTINUUM-LIMIT;
PHASE-TRANSITION; CHIRAL FERMIONS; MONTE-CARLO; FINITE TEMPERATURE
AB We review results from lattice QCD calculations on the thermodynamics of strong-interaction matter with emphasis on input these calculations can provide to the exploration of the phase diagram and properties of hot and dense matter created in heavy ion experiments. This review is organized in sections as follows: (1) Introduction, (2) QCD thermodynamics on the lattice, (3) QCD phase diagram at high temperature, (4) Bulk thermodynamics, (5) Fluctuations of conserved charges, (6) Transport properties, (7) Open heavy flavors and heavy quarkonia, (8) QCD in external magnetic fields, (9) Summary.
C1 [Ding, Heng-Tong] Cent China Normal Univ, Inst Particle Phys, Key Lab Quark & Lepton Phys MOE, Wuhan 430079, Peoples R China.
[Karsch, Frithjof; Mukherjee, Swagato] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
[Karsch, Frithjof] Univ Bielefeld, Fak Phys, D-33615 Bielefeld, Germany.
RP Ding, HT (reprint author), Cent China Normal Univ, Inst Particle Phys, Key Lab Quark & Lepton Phys MOE, Wuhan 430079, Peoples R China.
OI Mukherjee, Swagato/0000-0002-3824-1008; Ding,
Heng-Tong/0000-0003-0590-081X
FU U.S. Department of Energy [DE-SC0012704]; BMBF [05P12PBCTA]; GSI BILAER
grant
FX This review would not have been possible without the input from many of
our colleagues, in particular, Prasad Hegde, Olaf Kaczmarek, Christian
Schmidt and Mathias Wagner, with whom we could collaborate over many
years in the HotQCD and Bielefeld-BNL-CCNU collaborations. This work has
been supported in part through contract DE-SC0012704 with the U.S.
Department of Energy, the BMBF under grant 05P12PBCTA and the GSI BILAER
grant.
NR 253
TC 29
Z9 29
U1 2
U2 6
PU WORLD SCIENTIFIC PUBL CO PTE LTD
PI SINGAPORE
PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE
SN 0218-3013
EI 1793-6608
J9 INT J MOD PHYS E
JI Int. J. Mod. Phys. E-Nucl. Phys.
PD OCT
PY 2015
VL 24
IS 10
AR 1530007
DI 10.1142/S0218301315300076
PG 65
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA CU3IX
UT WOS:000363419100001
ER
PT J
AU Haider, Q
Liu, LC
AF Haider, Q.
Liu, Lon-Chang (L. C. )
TI Eta-mesic nuclei: Past, present, future
SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS
LA English
DT Review
DE Eta-mesic nuclei; final-state interaction; binding energy; scattering
length
ID DOUBLE-CHARGE-EXCHANGE; BOUND-STATES; SCATTERING LENGTH; NEAR-THRESHOLD;
MESON PRODUCTION; COUPLED-CHANNELS; CHIRAL DYNAMICS; LIGHT-NUCLEI; N
SCATTERING; RESONANCE
AB Eta-mesic nucleus or the quasibound nuclear state of an eta (eta) meson in a nucleus is caused by strong interaction force alone. This new type of nuclear species, which extends the landscape of nuclear physics, has been extensively studied since its prediction in 1986. In this paper, we review and analyze in great detail the models of the fundamental eta-nucleon interaction leading to the formation of an eta-mesic nucleus, the methods used in calculating the properties of a bound eta, and the approaches employed in the interpretation of the pertinent experimental data. In view of the successful observation of the eta-mesic nucleus Mg-25(eta) and other promising experimental results, future direction in searching for more eta-mesic nuclei is suggested.
C1 [Haider, Q.] Fordham Univ, Dept Phys & Engn Phys, Bronx, NY 10458 USA.
[Liu, Lon-Chang (L. C. )] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Haider, Q (reprint author), Fordham Univ, Dept Phys & Engn Phys, Bronx, NY 10458 USA.
EM haider@fordham.edu; liu@lanl.gov
NR 78
TC 9
Z9 9
U1 0
U2 2
PU WORLD SCIENTIFIC PUBL CO PTE LTD
PI SINGAPORE
PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE
SN 0218-3013
EI 1793-6608
J9 INT J MOD PHYS E
JI Int. J. Mod. Phys. E-Nucl. Phys.
PD OCT
PY 2015
VL 24
IS 10
AR 1530009
DI 10.1142/S021830131530009X
PG 33
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA CU3IX
UT WOS:000363419100003
ER
PT J
AU Kofu, M
Inamura, Y
Moriya, Y
Podlesnyak, A
Ehlers, G
Yamamuro, O
AF Kofu, Maiko
Inamura, Yasuhiro
Moriya, Yosuke
Podlesnyak, Andrey
Ehlers, Georg
Yamamuro, Osamu
TI Inelastic neutron scattering study on boson peaks of imidazolium-based
ionic liquids
SO JOURNAL OF MOLECULAR LIQUIDS
LA English
DT Article
DE Ionic liquid; Inelastic neutron scattering; Boson peak; Glass
ID LOW-ENERGY EXCITATIONS; THERMODYNAMIC PROPERTIES; VITREOUS SILICA;
PHYSICOCHEMICAL PROPERTIES; AMORPHOUS SILICATES; MOLECULAR GLASSES;
FLOPPY MODES; CRYSTALLINE; DYNAMICS; PHONONS
AB Low energy excitations of 1-alkyl-3-methylimidazolium ionic liquids (ILs) have been investigated by means of neutron spectroscopy. In the spectra of inelastic scattering, a broad excitation peak referred to as a "boson peak" appeared at 1-3 meV in all of the ILs measured. The intensity of the boson peak was enhanced at the Q positions corresponding to the diffraction peaks, reflecting the in-phase vibrational nature of the boson peak. Furthermore the boson peak energy (E-BP) was insensitive to the length of the alkyl-chain but changed depending on the radius of the anion. From the correlation among E-BP, the anion radius, and the glass transition temperature T-g, we conclude that both E-BP and T-g in ILs are predominantly governed by the inter-ionic Coulomb interaction which is less influenced by the alkyl-chain length. We also found that the E-BP is proportional to the inverse square root of the molecular weight as observed in molecular glasses. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Kofu, Maiko; Inamura, Yasuhiro; Moriya, Yosuke; Yamamuro, Osamu] Univ Tokyo, Inst Solid State Phys, Kashiwa, Chiba 2778581, Japan.
[Podlesnyak, Andrey; Ehlers, Georg] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA.
RP Yamamuro, O (reprint author), Univ Tokyo, Inst Solid State Phys, Kashiwa, Chiba 2778581, Japan.
EM yamamuro@issp.u-tokyo.ac.jp
RI Podlesnyak, Andrey/A-5593-2013; Instrument, CNCS/B-4599-2012; Ehlers,
Georg/B-5412-2008
OI Podlesnyak, Andrey/0000-0001-9366-6319; Ehlers,
Georg/0000-0003-3513-508X
FU Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy; US-Japan Cooperative Program on Neutron
Scattering
FX We thank Prof. M. Nakakoshi, Dr. T. Ueki, and Prof. M. Watanabe in
Yokohama National University for the synthesis of the samples. We are
deeply grateful to the Oak Ridge National Laboratory for giving us the
opportunity to carry out our experiments when the Japan Proton
Accelerator Research Complex (J-PARC) was closed due to the earthquake
in 2011. Research at ORNL's Spallation Neutron Source was sponsored by
the Scientific User Facilities Division, Office of Basic Energy
Sciences, U.S. Department of Energy. This work is financially supported
by the US-Japan Cooperative Program on Neutron Scattering.
NR 42
TC 1
Z9 1
U1 2
U2 25
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0167-7322
EI 1873-3166
J9 J MOL LIQ
JI J. Mol. Liq.
PD OCT
PY 2015
VL 210
SI SI
BP 164
EP 168
DI 10.1016/j.molliq.2015.07.021
PN B
PG 5
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA CU2II
UT WOS:000363346800002
ER
PT J
AU Ivanova, M
Kareth, S
Spielberg, ET
Mudring, AV
Petermann, M
AF Ivanova, M.
Kareth, S.
Spielberg, E. T.
Mudring, A. V.
Petermann, M.
TI Silica ionogels synthesized with imidazolium based ionic liquids in
presence of supercritical CO2
SO JOURNAL OF SUPERCRITICAL FLUIDS
LA English
DT Article; Proceedings Paper
CT 14th European Meeting on Supercritical Fluids
CY MAY 18-21, 2014
CL Marseille, FRANCE
DE Silica ionogels; Imidazolium based ionic liquids; Supercritical CO2
ID AEROGELS; TEMPERATURE; CATION
AB Silica ionogels were synthesized using the one step sol gel route. Imidazolium based ionic liquids (ILs) containing different cations and anions were used in order to investigate their effect as co-solvent and co-catalyst on the gelation time and on the solid properties (pore size, surface area, pore volume, hydrophobicity) of the final material. The influence of the ionic liquid concentration on the gelation time was also determined. Experiments under high pressure in presence of supercritical carbon dioxide were additionally performed. The obtained ionogels were dried with supercritical CO2 and analyzed by scanning electron microscopy (SEM), H-1 and F-19 magic angle spinning nuclear magnetic resonance (MAS NMR) and nitrogen adsorption-desorption isotherms (BET). (C) 2015 Elsevier B.V. All rights reserved.
C1 [Ivanova, M.; Kareth, S.; Petermann, M.] Ruhr Univ Bochum, Particle Technol Feststoffverfahrenstech, Bochum, Germany.
[Kareth, S.] Fraunhofer Inst Environm Safety & Energy Technol, Bochum, Germany.
[Spielberg, E. T.] Ruhr Univ Bochum, Inorgan Chem Mat Engn & Synth, Bochum, Germany.
[Mudring, A. V.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50010 USA.
[Mudring, A. V.] Ames Lab DOE, Ames, IA 50010 USA.
RP Ivanova, M (reprint author), Ruhr Univ Bochum, Particle Technol Feststoffverfahrenstech, Bochum, Germany.
EM ivanova@fvt.rub.de
OI Spielberg, Eike Torben/0000-0002-3333-5814
FU Cluster of Excellence RESOLV - Deutsche Forschungsgemeinschaft [EXC
1069]
FX This work is supported by the Cluster of Excellence RESOLV (EXC 1069)
funded by the Deutsche Forschungsgemeinschaft.
NR 26
TC 2
Z9 2
U1 1
U2 21
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0896-8446
EI 1872-8162
J9 J SUPERCRIT FLUID
JI J. Supercrit. Fluids
PD OCT
PY 2015
VL 105
SI SI
BP 60
EP 65
DI 10.1016/j.supflu.2015.01.014
PG 6
WC Chemistry, Physical; Engineering, Chemical
SC Chemistry; Engineering
GA CU2JV
UT WOS:000363350700009
ER
PT J
AU Ding, JJ
Zhang, YG
Wang, MM
Sun, X
Cong, J
Deng, Y
Lu, H
Yuan, T
Van Nostrand, JD
Li, DQ
Zhou, JZ
Yang, YF
AF Ding, Junjun
Zhang, Yuguang
Wang, Mengmeng
Sun, Xin
Cong, Jing
Deng, Ye
Lu, Hui
Yuan, Tong
Van Nostrand, Joy D.
Li, Diqiang
Zhou, Jizhong
Yang, Yunfeng
TI Soil organic matter quantity and quality shape microbial community
compositions of subtropical broadleaved forests
SO MOLECULAR ECOLOGY
LA English
DT Article
DE evergreen and deciduous forests; GeoChip; microbial community; molecular
ecological network
ID PLANT DIVERSITY; VEGETATION COMPOSITION; FUNCTIONAL REDUNDANCY;
BIOGEOCHEMICAL CYCLES; SPECIES-DIVERSITY; NATURAL FOREST; CENTRAL CHINA;
EVERGREEN; BACTERIAL; ECOSYSTEMS
AB As two major forest types in the subtropics, broadleaved evergreen and broadleaved deciduous forests have long interested ecologists. However, little is known about their belowground ecosystems despite their ecological importance in driving biogeochemical cycling. Here, we used Illumina MiSeq sequencing targeting 16S rRNA gene and a microarray named GeoChip targeting functional genes to analyse microbial communities in broadleaved evergreen and deciduous forest soils of Shennongjia Mountain of Central China, a region known as The Oriental Botanic Garden' for its extraordinarily rich biodiversity. We observed higher plant diversity and relatively richer nutrients in the broadleaved evergreen forest than the deciduous forest. In odds to our expectation that plant communities shaped soil microbial communities, we found that soil organic matter quantity and quality, but not plant community parameters, were the best predictors of microbial communities. Actinobacteria, a copiotrophic phylum, was more abundant in the broadleaved evergreen forest, while Verrucomicrobia, an oligotrophic phylum, was more abundant in the broadleaved deciduous forest. The density of the correlation network of microbial OTUs was higher in the broadleaved deciduous forest but its modularity was smaller, reflecting lower resistance to environment changes. In addition, keystone OTUs of the broadleaved deciduous forest were mainly oligotrophic. Microbial functional genes associated with recalcitrant carbon degradation were also more abundant in the broadleaved deciduous forests, resulting in low accumulation of organic matters. Collectively, these findings revealed the important role of soil organic matter in shaping microbial taxonomic and functional traits.
C1 [Ding, Junjun; Wang, Mengmeng; Sun, Xin; Zhou, Jizhong; Yang, Yunfeng] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China.
[Zhang, Yuguang; Cong, Jing; Lu, Hui; Li, Diqiang] Chinese Acad Forestry, Inst Forestry Ecol Environm & Protect, State Forestry Adm, Beijing 100091, Peoples R China.
[Zhang, Yuguang; Cong, Jing; Lu, Hui; Li, Diqiang] Chinese Acad Forestry, Key Lab Forest Ecol & Environm, State Forestry Adm, Beijing 100091, Peoples R China.
[Deng, Ye] Chinese Acad Sci, Ecoenvironm Sci Res Ctr, CAS Key Lab Environm Biotechnol, Beijing 100085, Peoples R China.
[Deng, Ye; Yuan, Tong; Van Nostrand, Joy D.; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Dept Microbiol & Plant Biol, 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
RI Van Nostrand, Joy/F-1740-2016;
OI Van Nostrand, Joy/0000-0001-9548-6450; ?, ?/0000-0002-7584-0632
FU National Scientific Research Institution [CAFRIFEEP201101]; National Key
Basic Research Programme of China [2013CB956601]; Major Science and
Technology Programme for Water Pollution Control and Treatment
[2013ZX07315-001-03]; Strategic Priority Research Programme of the
Chinese Academy of Sciences [XDB15010102]; National High Technology
Research and Development Programme of China [2012AA061401]; National
Science Foundation of China [41471202, 41171201]; State Key Laboratory
of Forest and Soil Ecology [LFSE2014-02]; Chinese Academy of Sciences
[XDB15010302]; US National Science Foundation [EF-1065844]
FX This research was supported by grants to Yuguang Zhang from the public
welfare project of the National Scientific Research Institution
(CAFRIFEEP201101), to Yunfeng Yang from the National Key Basic Research
Programme of China (2013CB956601), Major Science and Technology
Programme for Water Pollution Control and Treatment
(2013ZX07315-001-03), the Strategic Priority Research Programme of the
Chinese Academy of Sciences (XDB15010102), National High Technology
Research and Development Programme of China (2012AA061401) and National
Science Foundation of China (41471202 & 41171201), to Ye Deng from State
Key Laboratory of Forest and Soil Ecology (Grant No. LFSE2014-02) and
the Strategic Priority Research Programme of the Chinese Academy of
Sciences (Grant XDB15010302), and to Jizhong Zhou from the US National
Science Foundation (EF-1065844).
NR 61
TC 3
Z9 3
U1 17
U2 94
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 OCT
PY 2015
VL 24
IS 20
BP 5175
EP 5185
DI 10.1111/mec.13384
PG 11
WC Biochemistry & Molecular Biology; Ecology; Evolutionary Biology
SC Biochemistry & Molecular Biology; Environmental Sciences & Ecology;
Evolutionary Biology
GA CU1IC
UT WOS:000363273100008
PM 26363284
ER
PT J
AU Tetard, L
Passian, A
Farahi, RH
Thundat, T
Davison, BH
AF Tetard, L.
Passian, A.
Farahi, R. H.
Thundat, T.
Davison, B. H.
TI Opto-nanomechanical spectroscopic material characterization
SO NATURE NANOTECHNOLOGY
LA English
DT Article
ID ATOMIC-FORCE MICROSCOPY; BIOFUELS; CELLS
AB The non-destructive, simultaneous chemical and physical characterization of materials at the nanoscale is an essential and highly sought-after capability. However, a combination of limitations imposed by Abbe diffraction, diffuse scattering, unknown subsurface, electromagnetic fluctuations and Brownian noise, for example, have made achieving this goal challenging. Here, we report a hybrid approach for nanoscale material characterization based on generalized nanomechanical force microscopy in conjunction with infrared photoacoustic spectroscopy. As an application, we tackle the outstanding problem of spatially and spectrally resolving plant cell walls. Nanoscale characterization of plant cell walls and the effect of complex phenotype treatments on biomass are challenging but necessary in the search for sustainable and renewable bioenergy. We present results that reveal both the morphological and compositional substructures of the cell walls. The measured biomolecular traits are in agreement with the lower-resolution chemical maps obtained with infrared and confocal Raman micro-spectroscopies of the same samples. These results should prove relevant in other fields such as cancer research, nanotoxicity, and energy storage and production, where morphological, chemical and subsurface studies of nanocomposites, nanoparticle uptake by cells and nanoscale quality control are in demand.
C1 [Tetard, L.; Passian, A.; Farahi, R. H.; Davison, B. H.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Passian, A.] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA.
[Passian, A.; Farahi, R. H.; Davison, B. H.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Thundat, T.] Univ Alberta, Dept Chem & Mat Engn, Edmonton, AB T6G 2V4, Canada.
RP Passian, A (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM passianan@ornl.gov
RI Davison, Brian/D-7617-2013
OI Davison, Brian/0000-0002-7408-3609
FU BioEnergy Science Center (BESC) of the Oak Ridge National Laboratory
(ORNL); ORNL's Wigner Fellowship Program; Office of Biological and
Environmental Research in the DOE Office of Science; US DOE
[DE-AC05-00OR22725]
FX This work was sponsored by the BioEnergy Science Center (BESC) of the
Oak Ridge National Laboratory (ORNL). L.T. acknowledges partial support
from ORNL's Wigner Fellowship Program. The authors thank the BESC
scientists S. Jung and A. Ragauskas at Georgia Institute of Technology
for providing the samples and M. Davis and R. Sykes at the National
Renewable Energy Laboratory (NREL) for providing the Populus stems that
were used for cross-sectioning. BESC is a US Department of Energy (DOE)
Bioenergy Research Center supported by the Office of Biological and
Environmental Research in the DOE Office of Science. ORNL is managed by
UT-Battelle, LLC, for the US DOE under contract DE-AC05-00OR22725.
NR 32
TC 4
Z9 4
U1 11
U2 45
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 OCT
PY 2015
VL 10
IS 10
BP 870
EP 877
DI 10.1038/NNANO.2015.168
PG 8
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
SC Science & Technology - Other Topics; Materials Science
GA CT8QA
UT WOS:000363079900012
PM 26258550
ER
PT J
AU Meinardi, F
McDaniel, H
Carulli, F
Colombo, A
Velizhanin, KA
Makarov, NS
Simonutti, R
Klimov, VI
Brovelli, S
AF Meinardi, Francesco
McDaniel, Hunter
Carulli, Francesco
Colombo, Annalisa
Velizhanin, Kirill A.
Makarov, Nikolay S.
Simonutti, Roberto
Klimov, Victor I.
Brovelli, Sergio
TI Highly efficient large-area colourless luminescent solar concentrators
using heavy-metal-free colloidal quantum dots
SO NATURE NANOTECHNOLOGY
LA English
DT Article
ID POWER CONVERSION EFFICIENCY; PARTIAL CATION-EXCHANGE; ZN-S NANOCRYSTALS;
SEMICONDUCTOR NANOCRYSTALS; CUINS2 NANOCRYSTALS; SELF-ABSORPTION;
PHOTOVOLTAICS; REABSORPTION; PERFORMANCE; FABRICATION
AB Luminescent solar concentrators serving as semitransparent photovoltaic windows could become an important element in net zero energy consumption buildings of the future. Colloidal quantum dots are promising materials for luminescent solar concentrators as they can be engineered to provide the large Stokes shift necessary for suppressing reabsorption losses in large-area devices. Existing Stokes-shift-engineered quantum dots allow for only partial coverage of the solar spectrum, which limits their light-harvesting ability and leads to colouring of the luminescent solar concentrators, complicating their use in architecture. Here, we use quantum dots of ternary I-III-VI2 semiconductors to realize the first large-area quantum dot-luminescent solar concentrators free of toxic elements, with reduced reabsorption and extended coverage of the solar spectrum. By incorporating CuInSexS2-x, quantum dots into photo-polymerized poly(lauryl methacrylate), we obtain freestanding, colourless slabs that introduce no distortion to perceived colours and are thus well suited for the realization of photovoltaic windows. Thanks to the suppressed reabsorption and high emission efficiencies of the quantum dots, we achieve an optical power efficiency of 3.2%. Ultrafast spectroscopy studies suggest that the Stokes-shifted emission involves a conduction-band electron and a hole residing in an intragap state associated with a native defect.
C1 [Meinardi, Francesco; Carulli, Francesco; Colombo, Annalisa; Simonutti, Roberto; Brovelli, Sergio] Univ Milano Bicocca, Dipartimento Sci Mat, Via Cozzi 55, I-20125 Milan, Italy.
[McDaniel, Hunter; Velizhanin, Kirill A.; Makarov, Nikolay S.; Klimov, Victor I.] Los Alamos Natl Lab, Ctr Adv Solar Photophys, Los Alamos, NM 87545 USA.
[McDaniel, Hunter] UbiQD, Los Alamos, NM 87544 USA.
[Velizhanin, Kirill A.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Meinardi, F (reprint author), Univ Milano Bicocca, Dipartimento Sci Mat, Via Cozzi 55, I-20125 Milan, Italy.
EM francesco.meinardi@unimib.it; klimov@lanl.gov; sergio.brovelli@unimib.it
RI Velizhanin, Kirill/C-4835-2008;
OI Klimov, Victor/0000-0003-1158-3179
FU Cariplo Foundation [2012-0844]; Center for Advanced Solar Photophysics
(CASP), an Energy Frontier Research Center - Office of Basic Energy
Sciences, Office of Science, US Department of Energy; European Community
[324603]
FX S.B. and F.M. acknowledge support from the Cariplo Foundation
(2012-0844). V.I.K., H.M., K.A.V. and N.S.M. were supported by the
Center for Advanced Solar Photophysics (CASP), an Energy Frontier
Research Center funded by the Office of Basic Energy Sciences, Office of
Science, US Department of Energy. S.B. acknowledges financial support
from the European Community's Seventh Framework Programme
(FP7/2007-2013) under grant agreement no. 324603 (EDONHIST). The authors
thank M. Acciarri and the staff of the MIB-SOLAR laboratory for
technical assistance in the quantitative studies of solar concentration
and L. Raimondo and V. Pinchetti for assistance with the colorimetric
analysis.
NR 48
TC 46
Z9 47
U1 27
U2 118
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 OCT
PY 2015
VL 10
IS 10
BP 878
EP 885
DI 10.1038/NNANO.2015.178
PG 8
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
SC Science & Technology - Other Topics; Materials Science
GA CT8QA
UT WOS:000363079900013
PM 26301902
ER
PT J
AU Xiong, WL
Abraham, PE
Li, Z
Pan, CL
Hettich, RL
AF Xiong, Weili
Abraham, Paul E.
Li, Zhou
Pan, Chongle
Hettich, Robert L.
TI Microbial metaproteomics for characterizing the range of metabolic
functions and activities of human gut microbiota
SO PROTEOMICS
LA English
DT Review
DE Human gut microbiome; Metaproteomics; Shotgun proteomics; Systems
biology
ID LARGE-SCALE ANALYSIS; TANDEM MASS-SPECTRA; QUANTITATIVE PROTEOMICS;
POSTTRANSLATIONAL MODIFICATIONS; PROTEIN IDENTIFICATION;
PEPTIDE-IDENTIFICATION; GASTROINTESTINAL-TRACT; COMMUNITY PROTEOMICS;
BACTERIAL PHYLA; SPECTROMETRY
AB The human gastrointestinal tract is a complex, dynamic ecosystem that consists of a carefully tuned balance of human host and microbiota membership. The microbiome is not merely a collection of opportunistic parasites, but rather provides important functions to the host that are absolutely critical to many aspects of health, including nutrient transformation and absorption, drug metabolism, pathogen defense, and immune system development. Microbial metaproteomics provides the ability to characterize the human gut microbiota functions and metabolic activities at a remarkably deep level, revealing information about microbiome development and stability as well as their interactions with their human host. Generally, microbial and human proteins can be extracted and then measured by high performance MS-based proteomics technology. Here, we review the field of human gut microbiome metaproteomics, with a focus on the experimental and informatics considerations involved in characterizing systems ranging from low-complexity model gut microbiota in gnotobiotic mice, to the emerging gut microbiome in the GI tract of newborn human infants, and finally to an established gut microbiota in human adults.
C1 [Xiong, Weili; Abraham, Paul E.; Li, Zhou; Pan, Chongle; Hettich, Robert L.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Xiong, Weili; Hettich, Robert L.] Univ Tennessee, Grad Sch Genome Sci & Technol, Knoxville, TN USA.
RP Hettich, RL (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM hettichrl@ornl.gov
RI Hettich, Robert/N-1458-2016; Xiong, Weili/N-5069-2016
OI Hettich, Robert/0000-0001-7708-786X; Xiong, Weili/0000-0001-7208-917X
FU University of Tennessee-Knoxville Genome Science and Technology Program;
NIH [1R01-GM-103600]
FX Stipend support for W.X. was provided by the University of
Tennessee-Knoxville Genome Science and Technology Program. Research
support for the technical project was provided by NIH grant
1R01-GM-103600. Oak Ridge National Laboratory is managed by UT-Battelle,
LLC, for the U.S. Department of Energy. The authors have declared no
conflict of interest.
NR 83
TC 20
Z9 20
U1 9
U2 31
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1615-9853
EI 1615-9861
J9 PROTEOMICS
JI Proteomics
PD OCT
PY 2015
VL 15
IS 20
SI SI
BP 3424
EP 3438
DI 10.1002/pmic.201400571
PG 15
WC Biochemical Research Methods; Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA CT8TZ
UT WOS:000363090700005
PM 25914197
ER
PT J
AU Young, JC
Pan, CL
Adams, RM
Brooks, B
Banfield, JF
Morowitz, MJ
Hettich, RL
AF Young, Jacque C.
Pan, Chongle
Adams, Rachel M.
Brooks, Brandon
Banfield, Jillian F.
Morowitz, Michael J.
Hettich, Robert L.
TI Metaproteomics reveals functional shifts in microbial and human proteins
during a preterm infant gut colonization case
SO PROTEOMICS
LA English
DT Article
DE Infant gut; Metaproteomics; Microbial colonization; Microbiome; Systems
biology
ID 2 MUCUS LAYERS; NECROTIZING ENTEROCOLITIS; INTESTINAL MICROBIOTA;
IDENTIFICATION TECHNOLOGY; MAINTAIN HOMEOSTASIS; COMMUNITY PROTEOMICS;
COMMENSAL BACTERIA; MASS-SPECTROMETRY; YEAST PROTEOME; PANETH CELLS
AB Microbial colonization of the human gastrointestinal tract plays an important role in establishing health and homeostasis. However, the time-dependent functional signatures of microbial and human proteins during early colonization of the gut have yet to be determined. To this end, we employed shotgun proteomics to simultaneously monitor microbial and human proteins in fecal samples from a preterm infant during the first month of life. Microbial community complexity increased over time, with compositional changes that were consistent with previous metagenomic and rRNA gene data. More specifically, the function of the microbial community initially involved biomass growth, protein production, and lipid metabolism, and then switched to more complex metabolic functions, such as carbohydrate metabolism, once the community stabilized and matured. Human proteins detected included those responsible for epithelial barrier function and antimicrobial activity. Some neutrophil-derived proteins increased in abundance early in the study period, suggesting activation of the innate immune system. Likewise, abundances of cytoskeletal and mucin proteins increased later in the time course, suggestive of subsequent adjustment to the increased microbial load. This study provides the first snapshot of coordinated human and microbial protein expression in a preterm infant's gut during early development.
C1 [Young, Jacque C.; Adams, Rachel M.] Univ Tennessee, Genome Sci & Technol Grad Sch, Knoxville, TN USA.
[Young, Jacque C.; Pan, Chongle; Adams, Rachel M.; Hettich, Robert L.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Brooks, Brandon; Banfield, Jillian F.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.
[Morowitz, Michael J.] Univ Pittsburgh, Div Pediat Gen & Thorac Surg, Pittsburgh, PA USA.
RP Hettich, RL (reprint author), Oak Ridge Natl Lab, POB 2008 MS-6131, Oak Ridge, TN 37831 USA.
EM hettichrl@ornl.gov
RI Hettich, Robert/N-1458-2016
OI Hettich, Robert/0000-0001-7708-786X
FU Genome Science and Technology program at University of Tennessee,
Knoxville; March of Dimes Foundation [5-FY10-103]; NIH [1R01-GM-103600];
NSF Graduate Fellowship
FX We thank Dr. David Tabb and the Yates Proteomics Laboratory at Scripps
Research Institute for DTASelect/Contrast software, Langho Lee for
bioinformatics assistance, and the PRIDE team. Oak Ridge National
Laboratory is managed by UT-Battelle, LLC, for the U.S. Department of
Energy. J.Y. acknowledges stipend support from the Genome Science and
Technology program at the University of Tennessee, Knoxville. This work
was funded in part by March of Dimes Foundation research grant
5-FY10-103 (M.J.M), NIH grant 1R01-GM-103600, and an NSF Graduate
Fellowship to B.B.
NR 62
TC 5
Z9 5
U1 1
U2 11
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1615-9853
EI 1615-9861
J9 PROTEOMICS
JI Proteomics
PD OCT
PY 2015
VL 15
IS 20
SI SI
BP 3463
EP 3473
DI 10.1002/pmic.201400563
PG 11
WC Biochemical Research Methods; Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA CT8TZ
UT WOS:000363090700008
PM 26077811
ER
PT J
AU Hryciw, G
Grygoryev, D
Lasarev, M
Ohlrich, A
Dan, C
Madhira, R
Eckelmann, B
Gauny, S
Kronenberg, A
Turker, MS
AF Hryciw, Gwen
Grygoryev, Dmytro
Lasarev, Michael
Ohlrich, Anna
Dan, Cristian
Madhira, Ravi
Eckelmann, Bradley
Gauny, Stacey
Kronenberg, Amy
Turker, Mitchell S.
TI Accelerated Ti-48 Ions Induce Autosomal Mutations in Mouse Kidney
Epithelium at Low Dose and Fluence
SO RADIATION RESEARCH
LA English
DT Article
ID HUMAN LYMPHOBLASTOID-CELLS; IONIZING-RADIATION; MAMMALIAN-CELLS;
IN-VIVO; SOLID TISSUES; SPACE EXPLORATION; ALPHA-PARTICLES;
SOMATIC-CELLS; APRT LOCUS; HEAVY-ION
AB Exposure to high-energy charged particles (HZE ions) at low fluence could significantly affect astronaut health after prolonged missions in deep space by inducing mutations and related cancers. We tested the hypothesis that the mutagenic effects of HZE ions could be detected at low fluence in a mouse model that detects autosomal mutations in vivo. Aprt heterozygous mice were exposed to 0.2, 0.4 and 1.4 Gy of densely ionizing Ti-48 ions (1 GeV/amu, LET = 107 keV/mu m). We observed a dose-dependent increase in the Aprt mutant fraction in kidney epithelium at the two lowest doses (an average of 1 or 2 particles/cell nucleus) that plateaued at the highest dose (7 particles/cell nucleus). Mutant cells were expanded to determine mutation spectra and translocations affecting chromosome 8, which encodes Aprt. A PCR-based analysis for loss of heterozygosity (LOH) events on chromosome 8 demonstrated a significant shift in the mutational spectrum from Ti ion exposure, even at low fluence, by revealing "radiation signature'' mutations in mutant cells from exposed mice. Likewise, a cytogenetic assay for nonreciprocal chromosome 8 translocations showed an effect of exposure. A genome-wide LOH assay for events affecting nonselected chromosomes also showed an effect of exposure even for the lowest dose tested. Considered in their entirety, these results show that accelerated Ti-48 ions induce large mutations affecting one or more chromosomes at low dose and fluence. (C) 2015 by Radiation Research Society
C1 [Hryciw, Gwen; Grygoryev, Dmytro; Lasarev, Michael; Ohlrich, Anna; Dan, Cristian; Madhira, Ravi; Eckelmann, Bradley; Turker, Mitchell S.] Oregon Hlth & Sci Univ, OIOHS, Portland, OR 97239 USA.
[Turker, Mitchell S.] Oregon Hlth & Sci Univ, Dept Mol & Med Genet, Portland, OR 97239 USA.
[Gauny, Stacey; Kronenberg, Amy] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
RP Turker, MS (reprint author), Oregon Hlth & Sci Univ, OIOHS, L606,3181 SW Sam Jackson Pk Rd, Portland, OR 97239 USA.
EM turkerm@ohsu.edu
OI Lasarev, Michael R/0000-0002-1896-2705
FU NASA [NNJ12HB88I, NNJ13ZSA001N]; Murdock Scholar Fellowship; Oregon
Institute of Occupational Health Sciences summer fellowship
FX The authors thank Adam Rusek, Peter Guida, Paul Wilson, Mary Ann Petry
and their colleagues for support provided for the experiments at
Brookhaven National Laboratory. This work was supported by NASA grants
(nos. NNJ12HB88I and NNJ13ZSA001N), a Murdock Scholar Fellowship to Gwen
Hryciw and an Oregon Institute of Occupational Health Sciences summer
fellowship to Bradley Eckelmann.
NR 46
TC 2
Z9 2
U1 2
U2 8
PU RADIATION RESEARCH SOC
PI LAWRENCE
PA 810 E TENTH STREET, LAWRENCE, KS 66044 USA
SN 0033-7587
EI 1938-5404
J9 RADIAT RES
JI Radiat. Res.
PD OCT
PY 2015
VL 184
IS 4
BP 367
EP 377
DI 10.1667/RR14130.1
PG 11
WC Biology; Biophysics; Radiology, Nuclear Medicine & Medical Imaging
SC Life Sciences & Biomedicine - Other Topics; Biophysics; Radiology,
Nuclear Medicine & Medical Imaging
GA CU0QB
UT WOS:000363221200003
PM 26397174
ER
PT J
AU Wong-Ng, W
Laws, W
Lapidus, SH
Kaduk, JA
AF Wong-Ng, W.
Laws, W.
Lapidus, S. H.
Kaduk, J. A.
TI Phase equilibria and crystal chemistry of the CaO-1/2Sm(2)O(3)-CoOz
system at 885 degrees C in air
SO SOLID STATE SCIENCES
LA English
DT Article
DE Phase diagram of CaO-1/2Sm(2)O(3)-CoOz; Thermoelectric oxide system;
Tie-line phase relationships; Structure for (Sm1-xCax)(2)O3-z, and
(Sm1+xCa1-x)CoO4-z
ID TEMPERATURE THERMOELECTRIC PROPERTIES; O SYSTEM; CA3CO2O6; OXIDE;
DIAGRAM; PR; SR; EU; GD; ND
AB The CaO-1/2Sm(2)O(3)-CoOz system prepared at 885 degrees C in air consists of two calcium cobaltate compounds, namely, the 2D thermoelectric oxide solid solution, (Ca3-xSmx)Co4O9-z (0 <= x <= 0.5) which has a misfit layered structure, and the 1D Ca3Co2O6 which consists of chains of alternating CoO6 trigonal prisms and CoO6 octahedra. Ca3Co2O6 was found to be a point compound without the substitution of Sm on the Ca site. A solid solution region of distorted perovskite, (Sm1-xCax)CoO3-z (0 <= x <= 0.22, space group Pnma) was established. The reported Sm2CoO4 phase was not observed at 885 degrees C, but a ternary Ca-doped oxide, (Sm1+xCa1-x)CoO4-z (Bmab) where 0 < x <= 0.15 was found to be stable at this temperature. In the peripheral binary systems, Sm was not present in the Ca site of CaO, while a small solid solution region was identified for(Sm1-xCax)O(3-z)O(3-z)/2 (0 <= x <= 0.075). Ten solid solution tie-line regions and six three-phase regions were determined in the CaO-1/2Sm(2)O(3)-CoOz system in air. Published by Elsevier Masson SAS.
C1 [Wong-Ng, W.] NIST, Gaithersburg, MD 20899 USA.
[Laws, W.] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA.
[Lapidus, S. H.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Kaduk, J. A.] IIT, Chicago, IL 60616 USA.
RP Wong-Ng, W (reprint author), NIST, Gaithersburg, MD 20899 USA.
EM winnie.wong-ng@nist.gov
FU U. S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]
FX Use of the Advanced Photon Source at Argonne National laboratory was
supported by the U. S. Department of Energy, Office of Science, Office
of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. ICDD is
thanked for the partial support through the Grants-in-Aid program.
NR 38
TC 1
Z9 1
U1 2
U2 7
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1293-2558
EI 1873-3085
J9 SOLID STATE SCI
JI Solid State Sci.
PD OCT
PY 2015
VL 48
BP 31
EP 38
DI 10.1016/j.solidstatesciences.2015.06.003
PG 8
WC Chemistry, Inorganic & Nuclear; Chemistry, Physical; Physics, Condensed
Matter
SC Chemistry; Physics
GA CU2IS
UT WOS:000363347800007
ER
PT J
AU Myers, K
AF Myers, Kary
TI CoDA 2014 special issue: Exploring data-focused research across the
department of energy
SO STATISTICAL ANALYSIS AND DATA MINING
LA English
DT Editorial Material
C1 Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA.
RP Myers, K (reprint author), Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA.
NR 0
TC 0
Z9 0
U1 0
U2 5
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1932-1864
EI 1932-1872
J9 STAT ANAL DATA MIN
JI Stat. Anal. Data Min.
PD OCT-DEC
PY 2015
VL 8
IS 5-6
SI SI
BP 263
EP 263
DI 10.1002/sam.11297
PG 1
WC Computer Science, Artificial Intelligence; Computer Science,
Interdisciplinary Applications; Statistics & Probability
SC Computer Science; Mathematics
GA CU4AB
UT WOS:000363467100001
ER
PT J
AU Constantine, PG
Zaharatos, B
Campanelli, M
AF Constantine, Paul G.
Zaharatos, Brian
Campanelli, Mark
TI Discovering an active subspace in a single-diode solar cell model
SO STATISTICAL ANALYSIS AND DATA MINING
LA English
DT Article; Proceedings Paper
CT Conference on Data Analysis (CoDA)
CY 2014
CL Santa Fe, NM
DE single-diode solar cell model; active subspaces; dimension reduction;
parameterized simulations
ID SENSITIVITY-ANALYSIS
AB Predictions from science and engineering models depend on the values of the model's input parameters. As the number of parameters increases, algorithmic parameter studies such as optimization and uncertainty quantification require many more model evaluations. One way to combat this curse of dimensionality is to seek an alternative parameterization with fewer variables that produces comparable predictions. The active subspace is a low-dimensional linear subspace defined by important directions in the model's input space; input perturbations along these directions change the model's prediction more, on average, than perturbations orthogonal to the important directions. We describe a method for checking if a model admits an exploitable active subspace and apply this method to a single-diode solar cell model with five input parameters. We find that the maximum power of the solar cell has a dominant one-dimensional active subspace, which enables us to perform thorough parameter studies in one dimension instead of five.
C1 [Constantine, Paul G.; Zaharatos, Brian] Colorado Sch Mines, Dept Appl Math & Stat, Golden, CO 80401 USA.
[Campanelli, Mark] Natl Renewable Energy Lab, Golden, CO USA.
RP Constantine, PG (reprint author), Colorado Sch Mines, Dept Appl Math & Stat, 1500 Illinois St, Golden, CO 80401 USA.
EM pconstan@mines.edu
RI Constantine, Paul/G-6394-2015
OI Constantine, Paul/0000-0003-3726-6307
NR 19
TC 1
Z9 1
U1 1
U2 3
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1932-1864
EI 1932-1872
J9 STAT ANAL DATA MIN
JI Stat. Anal. Data Min.
PD OCT-DEC
PY 2015
VL 8
IS 5-6
SI SI
BP 264
EP 273
DI 10.1002/sam.11281
PG 10
WC Computer Science, Artificial Intelligence; Computer Science,
Interdisciplinary Applications; Statistics & Probability
SC Computer Science; Mathematics
GA CU4AB
UT WOS:000363467100002
ER
PT J
AU Weaver, BP
Warr, RL
Anderson-Cook, CM
Higdon, DM
AF Weaver, Brian P.
Warr, Richard L.
Anderson-Cook, Christine M.
Higdon, David M.
TI Visualizing discrepancies from nonlinear models and computer experiments
SO STATISTICAL ANALYSIS AND DATA MINING
LA English
DT Article; Proceedings Paper
CT Conference on Data Analysis (CoDA)
CY 2014
CL Santa Fe, NM
DE Gaussian process; Plutonium-238; Calibration; Science-based model
ID CALIBRATION
AB Plutonium-238 is an important specialized power source that radiates heat, which can be converted into electricity. This case study models the thermal output of samples of Pu-238, in which the underlying theoretical model of its decay summarizes a large portion of the observed behavior. A discrepancy function is used to account for missing structure seen in the observed data, but is not included in the physical model. The model combines the assumed physics model, discrepancy and experimental error with an expression of the form, f(x,) + (x) + . The combined model improves prediction of new observations in the future by accounting for shortcomings or omissions in the physical model and provides quantitative summaries of the relative contributions of the discrepancy and physics model. In this work, we illustrate how to visualize the discrepancy function when it is modeled using a Gaussian process. With the visualization, scientists can gain understanding about the differences between the observed data and the current scientific model and develop proposals of how to potentially improve their model. A secondary example illustrates how the visualization methods can help with understanding in higher dimensions.
C1 [Weaver, Brian P.; Anderson-Cook, Christine M.; Higdon, David M.] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87544 USA.
[Warr, Richard L.] Air Force Inst Technol, Dept Math & Stat, Dayton, OH 45433 USA.
RP Weaver, BP (reprint author), Los Alamos Natl Lab, Stat Sci Grp, POB 1663, Los Alamos, NM 87544 USA.
EM theguz@lanl.gov
NR 9
TC 0
Z9 0
U1 1
U2 3
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1932-1864
EI 1932-1872
J9 STAT ANAL DATA MIN
JI Stat. Anal. Data Min.
PD OCT-DEC
PY 2015
VL 8
IS 5-6
SI SI
BP 274
EP 286
DI 10.1002/sam.11282
PG 13
WC Computer Science, Artificial Intelligence; Computer Science,
Interdisciplinary Applications; Statistics & Probability
SC Computer Science; Mathematics
GA CU4AB
UT WOS:000363467100003
ER
PT J
AU Rintoul, MD
Wilson, AT
AF Rintoul, Mark D.
Wilson, Andrew T.
TI Trajectory analysis via a geometric feature space approach
SO STATISTICAL ANALYSIS AND DATA MINING
LA English
DT Article; Proceedings Paper
CT Conference on Data Analysis (CoDA)
CY 2014
CL Santa Fe, NM
DE trajectory; flight; feature vectors; clustering
ID MODELS
AB This study aimed to organize a body of trajectories in order to identify, search for and classify both common and uncommon behaviors among objects such as aircraft and ships. Existing comparison functions such as the Frechet distance are computationally expensive and yield counterintuitive results in some cases. We propose an approach using feature vectors whose components represent succinctly the salient information in trajectories. These features incorporate basic information such as the total distance traveled and the distance between start/stop points as well as geometric features related to the properties of the convex hull, trajectory curvature and general distance geometry. Additionally, these features can generally be mapped easily to behaviors of interest to humans who are searching large databases. Most of these geometric features are invariant under rigid transformation. We demonstrate the use of different subsets of these features to identify trajectories similar to an exemplar, cluster a database of several hundred thousand trajectories and identify outliers.
C1 [Rintoul, Mark D.; Wilson, Andrew T.] Sandia Natl Labs, Ctr Res Comp, Albuquerque, NM 87185 USA.
RP Rintoul, MD (reprint author), Sandia Natl Labs, Ctr Res Comp, POB 5800, Albuquerque, NM 87185 USA.
EM mdrinto@sandia.gov
NR 20
TC 1
Z9 1
U1 3
U2 10
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1932-1864
EI 1932-1872
J9 STAT ANAL DATA MIN
JI Stat. Anal. Data Min.
PD OCT-DEC
PY 2015
VL 8
IS 5-6
SI SI
BP 287
EP 301
DI 10.1002/sam.11287
PG 15
WC Computer Science, Artificial Intelligence; Computer Science,
Interdisciplinary Applications; Statistics & Probability
SC Computer Science; Mathematics
GA CU4AB
UT WOS:000363467100004
ER
PT J
AU Chapman, JL
Lu, L
Anderson-Cook, CM
AF Chapman, Jessica L.
Lu, Lu
Anderson-Cook, Christine M.
TI Impact of response variability on Pareto front optimization
SO STATISTICAL ANALYSIS AND DATA MINING
LA English
DT Article; Proceedings Paper
CT Conference on Data Analysis (CoDA)
CY 2014
CL Santa Fe, NM
DE multiple response optimization; response surfaces; estimation
uncertainty; simulation
AB A two-stage Pareto front approach can improve the process of making a decision about which input values simultaneously optimize multiple responses. However, ignoring estimation uncertainty and natural variability in the responses can potentially lead to suboptimal choices about those input values. A simulation-based approach is used to quantify and examine the impact that variability has on the superior solutions identified on the Pareto front and their performance. Because each optimization scenario has its own unique characteristics, including responses with different amounts of natural variability, the impact of variability on the solutions varies from situation to situation. We study how varying the amount of response variability affects the locations identified for the front and the characteristics of the most promising solutions on the front. We illustrate the method with an application involving process improvement through variance reduction.
C1 [Chapman, Jessica L.] St Lawrence Univ, Dept Math Stat & Comp Sci, Canton, NY 13617 USA.
[Lu, Lu] Univ S Florida, Dept Math & Stat, Tampa, FL 33620 USA.
[Anderson-Cook, Christine M.] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA.
RP Chapman, JL (reprint author), St Lawrence Univ, Dept Math Stat & Comp Sci, Canton, NY 13617 USA.
EM jchapman@stlawu.edu
NR 12
TC 1
Z9 1
U1 2
U2 3
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1932-1864
EI 1932-1872
J9 STAT ANAL DATA MIN
JI Stat. Anal. Data Min.
PD OCT-DEC
PY 2015
VL 8
IS 5-6
SI SI
BP 314
EP 328
DI 10.1002/sam.11279
PG 15
WC Computer Science, Artificial Intelligence; Computer Science,
Interdisciplinary Applications; Statistics & Probability
SC Computer Science; Mathematics
GA CU4AB
UT WOS:000363467100006
ER
PT J
AU Zaharatos, BR
Campanelli, M
Tenorio, L
AF Zaharatos, Brian R.
Campanelli, Mark
Tenorio, Luis
TI On the estimability of the PV single-diode model parameters
SO STATISTICAL ANALYSIS AND DATA MINING
LA English
DT Article; Proceedings Paper
CT Conference on Data Analysis (CoDA)
CY 2014
CL Santa Fe, NM
DE identifiability; estimability; data cloning; single-diode model;
photovoltaics
ID SOLAR-CELL PARAMETERS; DATA CLONING; PERFORMANCE; INFERENCE
AB The single-diode model is a widely used representation of the electrical performance of a photovoltaic (PV) device. This model relates the PV device's terminal current and voltage at a given irradiance and temperature. In order to obtain reasonable estimates of single-diode model parameters given noisy data, one ought to be able to characterize the estimability of the model parameters. Here, we look to an established method called data cloning to check for evidence of inestimability.
C1 [Zaharatos, Brian R.] Univ Colorado, Dept Appl Math, Boulder, CO 80309 USA.
[Campanelli, Mark] Natl Renewable Energy Lab, Golden, CO USA.
[Tenorio, Luis] Colorado Sch Mines, Dept Appl Math & Stat, Golden, CO 80401 USA.
RP Zaharatos, BR (reprint author), Univ Colorado, Dept Appl Math, 526 UCB, Boulder, CO 80309 USA.
EM brian.zaharatos@colorado.edu
NR 24
TC 1
Z9 1
U1 1
U2 2
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1932-1864
EI 1932-1872
J9 STAT ANAL DATA MIN
JI Stat. Anal. Data Min.
PD OCT-DEC
PY 2015
VL 8
IS 5-6
SI SI
BP 329
EP 339
DI 10.1002/sam.11286
PG 11
WC Computer Science, Artificial Intelligence; Computer Science,
Interdisciplinary Applications; Statistics & Probability
SC Computer Science; Mathematics
GA CU4AB
UT WOS:000363467100007
ER
PT J
AU Stracuzzi, DJ
Brost, RC
Phillips, CA
Robinson, DG
Wilson, AG
Woodbridge, DMK
AF Stracuzzi, David J.
Brost, Randy C.
Phillips, Cynthia A.
Robinson, David G.
Wilson, Alyson G.
Woodbridge, Diane M. -K.
TI Computing quality scores and uncertainty for approximate pattern
matching in geospatial semantic graphs
SO STATISTICAL ANALYSIS AND DATA MINING
LA English
DT Article; Proceedings Paper
CT Conference on Data Analysis (CoDA)
CY 2014
CL Santa Fe, NM
DE uncertainty; confidence intervals; statistical models; graphical models;
distance metric; image interpretation; graph search
AB Geospatial semantic graphs provide a robust foundation for representing and analyzing remote sensor data. In particular, they support a variety of pattern search operations that capture the spatial and temporal relationships among the objects and events in the data. However, in the presence of large data corpora, even a carefully constructed search query may return a large number of unintended matches. This work considers the problem of calculating a quality score for each match to the query, given that the underlying data are uncertain. We present a preliminary evaluation of three methods for determining both match quality scores and associated uncertainty bounds, illustrated in the context of an example based on overhead imagery data.
C1 [Stracuzzi, David J.; Brost, Randy C.; Phillips, Cynthia A.; Robinson, David G.; Woodbridge, Diane M. -K.] Sandia Natl Labs, Ctr Res Comp, Albuquerque, NM 87185 USA.
[Wilson, Alyson G.] N Carolina State Univ, Dept Stat, Raleigh, NC 27695 USA.
RP Stracuzzi, DJ (reprint author), Sandia Natl Labs, Ctr Res Comp, POB 5800, Albuquerque, NM 87185 USA.
EM djstrac@sandia.gov
OI Wilson, Alyson/0000-0003-1461-6212
NR 18
TC 1
Z9 1
U1 4
U2 11
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1932-1864
EI 1932-1872
J9 STAT ANAL DATA MIN
JI Stat. Anal. Data Min.
PD OCT-DEC
PY 2015
VL 8
IS 5-6
SI SI
BP 340
EP 352
DI 10.1002/sam.11294
PG 13
WC Computer Science, Artificial Intelligence; Computer Science,
Interdisciplinary Applications; Statistics & Probability
SC Computer Science; Mathematics
GA CU4AB
UT WOS:000363467100008
ER
PT J
AU Sexton, J
Storlie, C
Neil, J
AF Sexton, Joseph
Storlie, Curtis
Neil, Joshua
TI Attack chain detection
SO STATISTICAL ANALYSIS AND DATA MINING
LA English
DT Article; Proceedings Paper
CT Conference on Data Analysis (CoDA)
CY 2014
CL Santa Fe, NM
DE intrusion detection; anomaly detection
ID INTRUSION DETECTION; ANOMALY DETECTION; SYSTEMS
AB A targeted network intrusion typically evolves through multiple phases, termed the attack chain. When appropriate data are monitored, these phases will generate multiple events across the attack chain on a compromised host. It is shown empirically that events in different parts of the attack chain are largely independent under nonattack conditions. This suggests that a powerful detector can be constructed by combining across events spanning the attack. This article describes the development of such a detector for a larger network. To construct events that span the attack chain, multiple data sources are used, and the detector combines across events observed on the same machine, across local neighborhoods of machines linked by network communications, as well as across events observed on multiple computers. A probabilistic approach for evaluating the combined events is developed, and empirical investigations support the underlying assumptions. The detection power of the approach is studied by inserting plausible attack scenarios into observed network and host data, and an application to a real-world intrusion is given.
C1 [Sexton, Joseph; Storlie, Curtis; Neil, Joshua] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Sexton, J (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM joesexton0@gmail.com
NR 30
TC 0
Z9 0
U1 1
U2 6
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1932-1864
EI 1932-1872
J9 STAT ANAL DATA MIN
JI Stat. Anal. Data Min.
PD OCT-DEC
PY 2015
VL 8
IS 5-6
SI SI
BP 353
EP 363
DI 10.1002/sam.11296
PG 11
WC Computer Science, Artificial Intelligence; Computer Science,
Interdisciplinary Applications; Statistics & Probability
SC Computer Science; Mathematics
GA CU4AB
UT WOS:000363467100009
ER
PT J
AU Anderson-Cook, CM
Burr, T
Hamada, MS
Thomas, EV
AF Anderson-Cook, Christine M.
Burr, Tom
Hamada, M. S.
Thomas, Edward V.
TI Statistical analysis for nuclear forensics experiments
SO STATISTICAL ANALYSIS AND DATA MINING
LA English
DT Article; Proceedings Paper
CT Conference on Data Analysis (CoDA)
CY 2014
CL Santa Fe, NM
DE Bayesian; calibration; frequentist; model selection; simulation
ID INVERSE REGRESSION METHODS; CALIBRATION
AB As with any type of forensics, nuclear forensics seeks to infer historical information using models and data. This article connects nuclear forensics and calibration. We present statistical analyses of a calibration experiment that connect several responses to the associated set of input values and then make a measurement' using the calibration model. Previous and upcoming real experiments involving production of PuO2 powder motivate this article. Both frequentist and Bayesian approaches are considered, and we report findings from a simulation study that compares different analysis methods for different underlying responses between inputs and responses, different numbers of responses, different amounts of natural variability, and replicated or non-replicated calibration experiments and new measurements.
C1 [Anderson-Cook, Christine M.; Burr, Tom; Hamada, M. S.] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA.
[Thomas, Edward V.] Sandia Natl Labs, Stat & Surveillance Assessment Dept, Livermore, CA 94550 USA.
RP Burr, T (reprint author), Los Alamos Natl Lab, Stat Sci Grp, POB 1663, Los Alamos, NM 87545 USA.
EM tburr@lanl.gov
NR 13
TC 1
Z9 1
U1 2
U2 8
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1932-1864
EI 1932-1872
J9 STAT ANAL DATA MIN
JI Stat. Anal. Data Min.
PD OCT-DEC
PY 2015
VL 8
IS 5-6
SI SI
BP 364
EP 377
DI 10.1002/sam.11278
PG 14
WC Computer Science, Artificial Intelligence; Computer Science,
Interdisciplinary Applications; Statistics & Probability
SC Computer Science; Mathematics
GA CU4AB
UT WOS:000363467100010
ER
PT J
AU Stolz, CJ
Wolfe, JE
Mirkarimi, PB
Folta, JA
Adams, JJ
Menor, MG
Teslich, NE
Soufli, R
Menoni, CS
Patel, D
AF Stolz, Christopher J.
Wolfe, Justin E.
Mirkarimi, Paul B.
Folta, James A.
Adams, John J.
Menor, Marlon G.
Teslich, Nick E.
Soufli, Regina
Menoni, Carmen S.
Patel, Dinesh
TI Substrate and coating defect planarization strategies for
high-laser-fluence multilayer mirrors
SO THIN SOLID FILMS
LA English
DT Article; Proceedings Paper
CT International Conference on Frontiers of Optical Coatings (FOC)
CY OCT 20-24, 2014
CL Tongji Univ, Shanghai, PEOPLES R CHINA
SP Natl Nat Sci Fdn China, Chinese Opt Soc, Zhejiang Univ, Tianjin Jinhang Inst Tech Phys, Inst Opt & Elect, Optorun Co Ltd, Buhler Leybold Opt, Evatec
HO Tongji Univ
DE Nodular defect; Laser damage testing; 1064-nm laser; Nanosecond pulse
length; Thin film; Multilayer mirror; Ion beam sputtering; Planarization
ID NODULAR DEFECTS; DAMAGE; INTENSIFICATION; NM
AB Planarizing or smoothing over nodular defects in multilayer mirrors can be accomplished by a discrete deposit-and-etch process that exploits the angle-dependent etching rate of optical materials. Typically, nodular defects limit the fluence on mirrors irradiated at 1064 nm with 10 ns pulse lengths due to geometrically- and interference-induced light intensification. Planarized hafina/silica multilayer mirrors have demonstrated >125 J/cm(2) laser resistance for single-shot testing and 50 J/cm(2) for multi-shot testing for nodular defects originating on the substrate surface. Two planarization methods were explored: thick planarization layers on the substrate surface and planarized silica layers throughout the multilayer in which only the silica layers that are below one half of the incoming electric field value are etched. This paper also describes the impact of planarized defects that are buried within the multilayer structure compared to planarized substrate particulate defects. Published by Elsevier B.V.
C1 [Stolz, Christopher J.; Wolfe, Justin E.; Mirkarimi, Paul B.; Folta, James A.; Adams, John J.; Menor, Marlon G.; Teslich, Nick E.; Soufli, Regina] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Menoni, Carmen S.; Patel, Dinesh] Colorado State Univ, Dept Elect & Comp Engn, Ft Collins, CO 80523 USA.
RP Stolz, CJ (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,L-460, Livermore, CA 94550 USA.
EM stolz1@llnl.gov; Carmen.Menoni@colostate.edu
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[W-7405-ENG-48]; Office of Naval Research [N00014-06-1-0523]
FX This work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under Contract No.
W-7405-ENG-48. The work at Colorado State University used facilities
developed with support of the Office of Naval Research through grant
N00014-06-1-0523. C. J. Stolz acknowledges the help of administrative
assistants Terrie Goodwin and Jaquie Harrison with preparation of the
presentation shown at the Frontiers of Optical Coatings conference and
submitting this manuscript for publication.
NR 24
TC 5
Z9 5
U1 3
U2 10
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 OCT 1
PY 2015
VL 592
BP 216
EP 220
DI 10.1016/j.tsf.2015.04.047
PN B
PG 5
WC Materials Science, Multidisciplinary; Materials Science, Coatings &
Films; Physics, Applied; Physics, Condensed Matter
SC Materials Science; Physics
GA CU1GU
UT WOS:000363269400002
ER
PT J
AU Stoustrup, J
Pommer, C
Kliem, W
AF Stoustrup, Jakob
Pommer, Christian
Kliem, Wolfhard
TI Stability of linear systems in second-order form based on structure
preserving similarity transformations
SO ZEITSCHRIFT FUR ANGEWANDTE MATHEMATIK UND PHYSIK
LA English
DT Article
ID SYMMETRIZABLE SYSTEMS; MECHANICAL SYSTEMS
AB This paper deals with two stability aspects of linear systems of the form given by the triple (I, B, C). A general transformation scheme is given for a structure and Jordan form preserving transformation of the triple. We investigate how a system can be transformed by suitable choices of the transformation parameters into a new system (I, B (1), C (1)) with a symmetrizable matrix C (1). This procedure facilitates stability investigations. We also consider systems with a Hamiltonian spectrum which discloses marginal stability after a Jordan form preserving transformation.
C1 [Stoustrup, Jakob] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Pommer, Christian; Kliem, Wolfhard] Tech Univ Denmark, Dept Appl Math, DTU Compute, DK-2800 Lyngby, Denmark.
RP Stoustrup, J (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
EM jakob.stoustrup@pnnl.gov
OI Stoustrup, Jakob/0000-0001-9202-3135
NR 12
TC 1
Z9 1
U1 0
U2 4
PU SPRINGER BASEL AG
PI BASEL
PA PICASSOPLATZ 4, BASEL, 4052, SWITZERLAND
SN 0044-2275
EI 1420-9039
J9 Z ANGEW MATH PHYS
JI Z. Angew. Math. Phys.
PD OCT
PY 2015
VL 66
IS 5
BP 2909
EP 2919
DI 10.1007/s00033-015-0548-4
PG 11
WC Mathematics, Applied
SC Mathematics
GA CT8JO
UT WOS:000363062100042
ER
PT J
AU Murray, TD
Lyubimov, AY
Ogata, CM
Vo, H
Uervirojnangkoorn, M
Brunger, AT
Berger, JM
AF Murray, Thomas D.
Lyubimov, Artem Y.
Ogata, Craig M.
Huy Vo
Uervirojnangkoorn, Monarin
Brunger, Axel T.
Berger, James M.
TI A high-transparency, micro-patternable chip for X-ray diffraction
analysis of microcrystals under native growth conditions
SO ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY
LA English
DT Article
DE microcrystals; silicon nitride; serial data collection; XFEL; microfocus
beamline; X-ray crystallography; microfluidics
ID SERIAL FEMTOSECOND CRYSTALLOGRAPHY; PROTEIN-COUPLED RECEPTOR;
FREE-ELECTRON LASERS; ROOM-TEMPERATURE; CRYSTAL-STRUCTURE;
RADIATION-DAMAGE; MINI-BEAM; MACROMOLECULAR CRYSTALLOGRAPHY;
SYNCHROTRON-RADIATION; MICROFLUIDIC DEVICE
AB Microcrystals present a significant impediment to the determination of macromolecular structures by X-ray diffraction methods. Although microfocus synchrotron beamlines and X-ray free-electron lasers (XFELs) can enable the collection of interpretable diffraction data from microcrystals, there is a need for efficient methods of harvesting small volumes (<2 mu l) of microcrystals grown under common laboratory formats and delivering them to an X-ray beam source under native growth conditions. One approach that shows promise in overcoming the challenges intrinsic to microcrystal analysis is to pair so-called 'fixed-target' sample-delivery devices with microbeam-based X-ray diffraction methods. However, to record weak diffraction patterns it is necessary to fabricate devices from X-ray-transparent materials that minimize background scattering. Presented here is the design of a new micro-diffraction device consisting of three layers fabricated from silicon nitride, photoresist and polyimide film. The chip features low X-ray scattering and X-ray absorption properties, and uses a customizable blend of hydrophobic and hydrophilic surface patterns to help localize microcrystals to defined regions. Microcrystals in their native growth conditions can be loaded into the chips with a standard pipette, allowing data collection at room temperature. Diffraction data collected from hen egg-white lysozyme microcrystals (10-15 mm) loaded into the chips yielded a complete, high-resolution (<1.6 angstrom) data set sufficient to determine a high-quality structure by molecular replacement. The features of the chip allow the rapid and user-friendly analysis of microcrystals grown under virtually any laboratory format at microfocus synchrotron beamlines and XFELs.
C1 [Murray, Thomas D.] Univ Calif Berkeley, Biophys Grad Grp, Berkeley, CA 94720 USA.
[Murray, Thomas D.; Berger, James M.] Johns Hopkins Univ, Sch Med, Dept Biophys & Biophys Chem, Baltimore, MD 21205 USA.
[Lyubimov, Artem Y.; Uervirojnangkoorn, Monarin; Brunger, Axel T.] Stanford Univ, Dept Mol & Cellular Physiol, Stanford, CA 94305 USA.
[Lyubimov, Artem Y.; Uervirojnangkoorn, Monarin; Brunger, Axel T.] Stanford Univ, Dept Neurol & Neurol Sci, Stanford, CA 94305 USA.
[Lyubimov, Artem Y.; Uervirojnangkoorn, Monarin; Brunger, Axel T.] Stanford Univ, Dept Struct Biol & Photon Sci, Stanford, CA 94305 USA.
[Lyubimov, Artem Y.; Uervirojnangkoorn, Monarin; Brunger, Axel T.] Stanford Univ, Howard Hughes Med Inst, Stanford, CA 94305 USA.
[Ogata, Craig M.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, GM CA APS, Argonne, IL 60439 USA.
[Huy Vo] Johns Hopkins Univ, Dept Biomed Engn, Baltimore, MD 21205 USA.
RP Brunger, AT (reprint author), Stanford Univ, Dept Mol & Cellular Physiol, Stanford, CA 94305 USA.
EM brunger@stanford.edu; jberge29@jhmi.edu
OI Brunger, Axel/0000-0001-5121-2036
FU Federal funds from the National Cancer Institute [ACB-12002]; National
Institute of General Medical Sciences [AGM-12006]; DOE Office of Science
by Argonne National Laboratory [DE-AC02-06CH11357]; US Department of
Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-76SF00515]; DOE Office of Biological and Environmental
Research; National Institutes of Health, National Institute of General
Medical Sciences [P41GM103393]
FX We would like to thank Professor Stephen Harrison for advice on chip
design and data collection as well as for the generous donation of a
portion of his XFEL beamtime. GM/CA@APS has been funded in whole or in
part with Federal funds from the National Cancer Institute (ACB-12002)
and the National Institute of General Medical Sciences (AGM-12006). 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. Use of the Stanford Synchrotron Radiation Laboratory
(SSRL) and Linac Coherent Light Source (LCLS), SLAC National Accelerator
Laboratory is supported by the US Department of Energy, Office of
Science, Office of Basic Energy Sciences under Contract No.
DE-AC02-76SF00515. The SSRL Structural Molecular Biology Program is
supported by the DOE Office of Biological and Environmental Research and
by the National Institutes of Health, National Institute of General
Medical Sciences (including P41GM103393). The contents of this
publication are solely the responsibility of the authors and do not
necessarily represent the official views of NIGMS or NIH. Funding for
this project was provided by a Hughes Collaborative Innovation Award
(HCIA) to ATB and JMB.
NR 81
TC 10
Z9 10
U1 4
U2 16
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 2059-7983
J9 ACTA CRYSTALLOGR D
JI Acta Crystallogr. Sect. D-Struct. Biol.
PD OCT
PY 2015
VL 71
BP 1987
EP 1997
DI 10.1107/S1399004715015011
PN 10
PG 11
WC Biochemical Research Methods; Biochemistry & Molecular Biology;
Biophysics; Crystallography
SC Biochemistry & Molecular Biology; Biophysics; Crystallography
GA CT5LH
UT WOS:000362851300001
PM 26457423
ER
PT J
AU Turra, GL
Agostini, RB
Fauguel, CM
Presello, DA
Andreo, CS
Gonzalez, JM
Campos-Bermudez, VA
AF Turra, Gino L.
Agostini, Romina B.
Fauguel, Carolina M.
Presello, Daniel A.
Andreo, Carlos S.
Gonzalez, Javier M.
Campos-Bermudez, Valeria A.
TI Structure of the novel monomeric glyoxalase I from Zea mays
SO ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY
LA English
DT Article
DE glyoxalase; methylglyoxal; maize
ID PARASITE PLASMODIUM-FALCIPARUM; 2 ACTIVE-SITES;
SACCHAROMYCES-CEREVISIAE; CRYSTAL-STRUCTURE; GENE DUPLICATION;
KINETIC-ANALYSIS; BRASSICA-JUNCEA; HUMAN ENZYME; HIGHER-PLANT; PROTEIN
AB The glyoxalase system is ubiquitous among all forms of life owing to its central role in relieving the cell from the accumulation of methylglyoxal, a toxic metabolic byproduct. In higher plants, this system is upregulated under diverse metabolic stress conditions, such as in the defence response to infection by pathogenic microorganisms. Despite their proven fundamental role in metabolic stresses, plant glyoxalases have been poorly studied. In this work, glyoxalase I from Zea mays has been characterized both biochemically and structurally, thus reporting the first atomic model of a glyoxalase I available from plants. The results indicate that this enzyme comprises a single polypeptide with two structurally similar domains, giving rise to two lateral concavities, one of which harbours a functional nickel(II)-binding active site. The putative function of the remaining cryptic active site remains to be determined.
C1 [Turra, Gino L.; Agostini, Romina B.; Andreo, Carlos S.; Campos-Bermudez, Valeria A.] Univ Nacl Rosario, CONICET, CEFOBI, RA-2000 Rosario, Argentina.
[Fauguel, Carolina M.; Presello, Daniel A.] INTA, Pergamino, Argentina.
[Gonzalez, Javier M.] Los Alamos Natl Lab, Biosci Div, Prot Crystallog Stn, Los Alamos, NM 87545 USA.
RP Gonzalez, JM (reprint author), Los Alamos Natl Lab, Biosci Div, Prot Crystallog Stn, POB 1663, Los Alamos, NM 87545 USA.
EM javier.m.gonzalez.mail@gmail.com; campos@cefobi-conicet.gov.ar
OI Gonzalez, Javier M./0000-0002-3298-2235
FU ANPCyT [PICT 358]; CONICET; SECTEI; INTA; LANL Director's Postdoctoral
Fellowship [DOE-LDRD 20120776PRD4]; DOE Office of Biological and
Environmental Research; National Institutes of Health, National
Institute of General Medical Sciences [P41GM103393]
FX We thank ANPCyT (PICT 358), CONICET, SECTEI and INTA for funding. The
authors gratefully acknowledge Dr R. Girolami for his help with the
atomic absorption determinations. VCB is an Assistant Researcher from
CONICET. JMG is the recipient of an LANL Director's Postdoctoral
Fellowship, grant DOE-LDRD 20120776PRD4. Portions of this research were
carried out at the Stanford Synchrotron Radiation Lightsource, a
Directorate of SLAC National Accelerator Laboratory and an Office of
Science User Facility operated for the US Department of Energy Office of
Science by Stanford University. The SSRL Structural Molecular Biology
Program is supported by the DOE Office of Biological and Environmental
Research and by the National Institutes of Health, National Institute of
General Medical Sciences (including P41GM103393). The contents of this
publication are solely the responsibility of the authors and do not
necessarily represent the official views of NIGMS or NIH.
NR 55
TC 1
Z9 1
U1 1
U2 2
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 2059-7983
J9 ACTA CRYSTALLOGR D
JI Acta Crystallogr. Sect. D-Struct. Biol.
PD OCT
PY 2015
VL 71
BP 2009
EP 2020
DI 10.1107/S1399004715015205
PN 10
PG 12
WC Biochemical Research Methods; Biochemistry & Molecular Biology;
Biophysics; Crystallography
SC Biochemistry & Molecular Biology; Biophysics; Crystallography
GA CT5LH
UT WOS:000362851300003
PM 26457425
ER
PT J
AU Pinard, MA
Aggarwal, M
Mahon, BP
Tu, CK
McKenna, R
AF Pinard, Melissa A.
Aggarwal, Mayank
Mahon, Brian P.
Tu, Chingkuang
McKenna, Robert
TI A sucrose-binding site provides a lead towards an isoform-specific
inhibitor of the cancer-associated enzyme carbonic anhydrase IX
SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS
LA English
DT Article
DE alpha-carbonic anhydrase; CA IX mimic; isoform-specific drug design;
sugar approach; carbonic anhydrase IX; sucrose
ID ACTIVE-SITE; EXPRESSION; HYPOXIA; SEQUENCE; INSIGHTS; MODE
AB Human carbonic anhydrase (CA; EC 4.2.1.1) isoform IX (CA IX) is an extracellular zinc metalloenzyme that catalyzes the reversible hydration of CO2 to HCO3-, thereby playing a role in pH regulation. The majority of normal functioning cells exhibit low-level expression of CA IX. However, in cancer cells CA IX is upregulated as a consequence of a metabolic transition known as the Warburg effect. The upregulation of CA IX for cancer progression has drawn interest in it being a potential therapeutic target. CA IX is a transmembrane protein, and its purification, yield and crystallization have proven challenging to structure-based drug design, whereas the closely related cytosolic soluble isoform CA II can be expressed and crystallized with ease. Therefore, we have utilized structural alignments and site-directed mutagenesis to engineer a CA II that mimics the active site of CA IX. In this paper, the X-ray crystal structure of this CA IX mimic in complex with sucrose is presented and has been refined to a resolution of 1.5 angstrom, an R-cryst of 18.0% and an R-free of 21.2%. The binding of sucrose at the entrance to the active site of the CA IX mimic, and not CA II, in a non-inhibitory mechanism provides a novel carbohydrate moiety binding site that could be further exploited to design isoform-specific inhibitors of CA IX.
C1 [Pinard, Melissa A.; Mahon, Brian P.; McKenna, Robert] Univ Florida, Coll Med, Dept Biochem & Mol Biol, Gainesville, FL 32610 USA.
[Aggarwal, Mayank] Oak Ridge Natl Lab, Div Biol & Soft Matter, Oak Ridge, TN 37831 USA.
[Tu, Chingkuang] Univ Florida, Coll Med, Dept Pharmacol, Gainesville, FL 32610 USA.
RP McKenna, R (reprint author), Univ Florida, Coll Med, Dept Biochem & Mol Biol, Gainesville, FL 32610 USA.
EM rmckenna@ufl.edu
FU NIH [GM25154]; Department of Energy; Shull Fellowship at Oak Ridge
National Laboratory
FX This work was supported by a grant from the NIH (GM25154). RM would like
to thank the Center of Structural Biology for support of the X-ray
facility at UF. We would also like to thank the MacCHESS staff for their
help during X-ray diffraction data collection at the Cornell High Energy
Synchrotron (CHESS) Facility, Ithaca. MA is funded by the Department of
Energy and Shull Fellowship at Oak Ridge National Laboratory.
NR 42
TC 3
Z9 3
U1 0
U2 6
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 2053-230X
J9 ACTA CRYSTALLOGR F
JI Acta Crystallogr. F-Struct. Biol. Commun.
PD OCT
PY 2015
VL 71
BP 1352
EP 1358
DI 10.1107/S2053230X1501239X
PN 10
PG 7
WC Biochemical Research Methods; Biochemistry & Molecular Biology;
Biophysics; Crystallography
SC Biochemistry & Molecular Biology; Biophysics; Crystallography
GA CT5LN
UT WOS:000362852000023
PM 26457530
ER
PT J
AU Erdimir, A
AF Erdimir, Ali
TI ULTRAFAST BORIDING: A TRANSFORMATIONL TECHNOLOGY
SO ADVANCED MATERIALS & PROCESSES
LA English
DT Article
C1 Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA.
RP Erdimir, A (reprint author), Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA.
EM erdimir@anl.gov
NR 0
TC 0
Z9 0
U1 0
U2 0
PU ASM INT
PI MATERIALS PARK
PA SUBSCRIPTIONS SPECIALIST CUSTOMER SERVICE, MATERIALS PARK, OH 44073-0002
USA
SN 0882-7958
EI 2161-9425
J9 ADV MATER PROCESS
JI Adv. Mater. Process.
PD OCT
PY 2015
VL 173
IS 9
BP 62
EP 63
PG 2
WC Materials Science, Multidisciplinary
SC Materials Science
GA CT6OE
UT WOS:000362931500022
ER
PT J
AU Jensen, AM
Warren, JM
Hanson, PJ
Childs, J
Wullschleger, SD
AF Jensen, Anna M.
Warren, Jeffrey M.
Hanson, Paul J.
Childs, Joanne
Wullschleger, Stan D.
TI Needle age and season influence photosynthetic temperature response and
total annual carbon uptake in mature Picea mariana trees
SO ANNALS OF BOTANY
LA English
DT Article
DE Black spruce; Picea mariana; climate change; photosynthesis; temperature
adjustment; carbon assimilation; A/C-i curve; leaf age; Q(10);
evergreen; SPRUCE project; STELLA model; respiration
ID BIOCHEMICALLY BASED MODEL; BLACK SPRUCE; THERMAL-ACCLIMATION; SCOTS
PINE; PLANT RESPIRATION; DARK RESPIRATION; BOREAL FOREST; LEAF NITROGEN;
GAS-EXCHANGE; ELEVATED CO2
AB Background and Aims The carbon (C) balance of boreal terrestrial ecosystems is sensitive to increasing temperature, but the direction and thresholds of responses are uncertain. Annual C uptake in Picea and other evergreen boreal conifers is dependent on seasonal-and cohort-specific photosynthetic and respiratory temperature response functions, so this study examined the physiological significance of maintaining multiple foliar cohorts for Picea mariana trees within an ombrotrophic bog ecosystem in Minnesota, USA.
Methods Measurements were taken on multiple cohorts of needles for photosynthetic capacity, foliar respiration (R-d) and leaf biochemistry and morphology of mature trees from April to October over 4 years. The results were applied to a simple model of canopy photosynthesis in order to simulate annual C uptake by cohort age under ambient and elevated temperature scenarios.
Key Results Temperature responses of key photosynthetic parameters [i.e. light-saturated rate of CO2 assimilation (A(sat)), rate of Rubisco carboxylation (V-cmax) and electron transport rate (J(max))] were dependent on season and generally less responsive in the developing current-year (Y0) needles compared with 1-year-old (Y1) or 2-year-old (Y2) foliage. Temperature optimums ranged from 18.7 to 23.7, 31.3 to 38.3 and 28.7 to 36.7 degrees C for A(sat), V-cmax and J(max), respectively. Foliar cohorts differed in their morphology and photosynthetic capacity, which resulted in 64 % of modelled annual stand C uptake from Y1&2 cohorts (LAI 0.67m(2) m(-2)) and just 36 % from Y0 cohorts (LAI 0.52 m(2) m(-2)). Under warmer climate change scenarios, the contribution of Y0 cohorts was even less; e.g. 31 % of annual C uptake for a modelled 9 degrees C rise in mean summer temperatures. Results suggest that net annual C uptake by P. mariana could increase under elevated temperature, and become more dependent on older foliar cohorts.
Conclusions Collectively, this study illustrates the physiological and ecological significance of different foliar cohorts, and indicates the need for seasonal-and cohort-specific model parameterization when estimating C uptake capacity of boreal forest ecosystems under ambient or future temperature scenarios.
C1 [Jensen, Anna M.; Warren, Jeffrey M.; Hanson, Paul J.; Childs, Joanne; Wullschleger, Stan D.] Oak Ridge Natl Lab, Climate Change Sci Inst, Div Environm Sci, Oak Ridge, TN 37831 USA.
RP Jensen, AM (reprint author), Linnaeus Univ, Dept Forestry & Wood Technol, S-35195 Vaxjo, Sweden.
EM Anna.Jensen@lnu.se
RI Warren, Jeffrey/B-9375-2012; Hanson, Paul J./D-8069-2011; Wullschleger,
Stan/B-8297-2012;
OI Warren, Jeffrey/0000-0002-0680-4697; Hanson, Paul
J./0000-0001-7293-3561; Wullschleger, Stan/0000-0002-9869-0446; Jensen,
Anna Monrad/0000-0001-5113-5624
FU US Department of Energy, Office of Science, Office of Biological and
Environmental Research [DE-AC05-00OR22725]
FX The authors appreciate fieldwork, development of allometric
relationships and data analysis from Carla Gunderson, Kelsey Carter,
Lianhong Gu, Donald E. Todd, Deanne Brice, Jana Phillips, W. Robert
Nettles and Les Hook. This material is based upon work supported by the
US Department of Energy, Office of Science, Office of Biological and
Environmental Research, under contract DE-AC05-00OR22725.
NR 57
TC 5
Z9 5
U1 11
U2 52
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0305-7364
EI 1095-8290
J9 ANN BOT-LONDON
JI Ann. Bot.
PD OCT
PY 2015
VL 116
IS 5
BP 821
EP 832
DI 10.1093/aob/mcv115
PG 12
WC Plant Sciences
SC Plant Sciences
GA CT5IO
UT WOS:000362842400015
PM 26220656
ER
PT J
AU Lam, KK
LaButti, K
Khalak, A
Tse, D
AF Lam, Ka-Kit
LaButti, Kurt
Khalak, Asif
Tse, David
TI FinisherSC: a repeat-aware tool for upgrading de novo assembly using
long reads
SO BIOINFORMATICS
LA English
DT Article
ID GENOME ASSEMBLIES
AB We introduce FinisherSC, a repeat-aware and scalable tool for upgrading de novo assembly using long reads. Experiments with real data suggest that FinisherSC can provide longer and higher quality contigs than existing tools while maintaining high concordance.
C1 [Lam, Ka-Kit; Tse, David] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA.
[LaButti, Kurt] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Khalak, Asif] Pacific Biosci, Menlo Pk, CA USA.
[Tse, David] Stanford Univ, Dept Elect Engn, Palo Alto, CA 94304 USA.
RP Tse, D (reprint author), Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA.
EM dntse@stanford.edu
FU Center for Science of Information (CSoI), an NSF Science and Technology
Center [CCF-0939370]; U.S. Department of Energy Joint Genome Institute,
a DOE Office of Science User Facility [DE-AC02-05CH11231]
FX The authors K.K.L and D.T. are partially supported by the Center for
Science of Information (CSoI), an NSF Science and Technology Center,
under grant agreement CCF-0939370. The work conducted by the U.S.
Department of Energy Joint Genome Institute, a DOE Office of Science
User Facility, is supported under Contract No. DE-AC02-05CH11231.
NR 6
TC 4
Z9 4
U1 0
U2 4
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 OCT 1
PY 2015
VL 31
IS 19
BP 3207
EP 3209
DI 10.1093/bioinformatics/btv280
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 CT5JN
UT WOS:000362845400017
PM 26040454
ER
PT J
AU Luo, YY
Lu, J
Liu, FK
Liu, W
AF Luo, Yiyong
Lu, Jian
Liu, Fukai
Liu, Wei
TI Understanding the El Nio-like oceanic response in the tropical Pacific
to global warming
SO CLIMATE DYNAMICS
LA English
DT Article
DE El Nino-like response; Global warming; Thermocline; Oceanic dynamical
thermostat
ID EQUATORIAL PACIFIC; ATMOSPHERIC CIRCULATION; TEMPERATURE-CHANGE; CLIMATE
RESPONSE; FUTURE CLIMATE; COUPLED OCEAN; MODEL; NINO; ENSO; MULTIMODEL
AB The enhanced central and eastern Pacific SST warming and the associated ocean processes under global warming are investigated using the ocean component of the Community Earth System Model (CESM), Parallel Ocean Program version 2 (POP2). The tropical SST warming pattern in the coupled CESM can be faithfully reproduced by the POP2 forced with surface fluxes computed using the aerodynamic bulk formula. By prescribing the wind stress and/or wind speed through the bulk formula, the effects of wind stress change and/or the wind-evaporation-SST (WES) feedback are isolated and their linearity is evaluated in this ocean-alone setting. Result shows that, although the weakening of the equatorial easterlies contributes positively to the El Nio-like SST warming, 80 % of which can be simulated by the POP2 without considering the effects of wind change in both mechanical and thermodynamic fluxes. This result points to the importance of the air-sea thermal interaction and the relative feebleness of the ocean dynamical process in the El Nio-like equatorial Pacific SST response to global warming. On the other hand, the wind stress change is found to play a dominant role in the oceanic response in the tropical Pacific, accounting for most of the changes in the equatorial ocean current system and thermal structures, including the weakening of the surface westward currents, the enhancement of the near-surface stratification and the shoaling of the equatorial thermocline. Interestingly, greenhouse gas warming in the absence of wind stress change and WES feedback also contributes substantially to the changes at the subsurface equatorial Pacific. Further, this warming impact can be largely replicated by an idealized ocean experiment forced by a uniform surface heat flux, whereby, arguably, a purest form of oceanic dynamical thermostat is revealed.
C1 [Luo, Yiyong; Liu, Fukai] Ocean Univ China, Phys Oceanog Lab, Qingdao, Peoples R China.
[Luo, Yiyong] Univ Rhode Isl, Grad Sch Oceanog, Narragansett, RI 02882 USA.
[Lu, Jian] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Liu, Wei] Scripps Inst Oceanog, San Diego, CA USA.
RP Luo, YY (reprint author), Univ Rhode Isl, Grad Sch Oceanog, 215 South Ferry Rd, Narragansett, RI 02882 USA.
EM yiyongluo@ouc.edu.cn
FU National Natural Science Foundation of China [41376009, 41221063]; NSF
[AGS-1249173, AGS-1249145]; Zhufeng and Taishan Projects of the Ocean
University of China; Office of Science of the U.S. Department of Energy
as part of Regional and Global Climate Modeling program
FX This work is supported by National Natural Science Foundation of China
(41376009 and 41221063) and NSF (AGS-1249173 and AGS-1249145). Y. Luo
would like to acknowledge the support from the Zhufeng and Taishan
Projects of the Ocean University of China. J. Lu is supported by the
Office of Science of the U.S. Department of Energy as part of Regional
and Global Climate Modeling program. We wish to thank the anonymous
reviewer for his/her helpful comments.
NR 40
TC 7
Z9 7
U1 3
U2 27
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 OCT
PY 2015
VL 45
IS 7-8
BP 1945
EP 1964
DI 10.1007/s00382-014-2448-2
PG 20
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CT2WV
UT WOS:000362667100016
ER
PT J
AU Gallagher, ME
Down, A
Ackley, RC
Zhao, KG
Phillips, N
Jackson, RB
AF Gallagher, Morgan E.
Down, Adrian
Ackley, Robert C.
Zhao, Kaiguang
Phillips, Nathan
Jackson, Robert B.
TI Natural Gas Pipeline Replacement Programs Reduce Methane Leaks and
Improve Consumer Safety
SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LETTERS
LA English
DT Article
ID EMISSIONS; BOSTON
AB From production through distribution, oil and gas infrastructure provides the largest source of anthropogenic methane in the United States and the second largest globally. Using a Picarro G2132i Cavity Ring-Down spectrometer, we mapped natural gas leaks across the streets of three United States cities Durham, NC, Cincinnati, OH, and Manhattan, NY- at different stages of pipeline replacement of cast iron and other older materials. We identified 132, 351, and 1050 leaks in Durham, Cincinnati, and Manhattan, respectively, across 595, 750, and 247 road miles driven. Leak densities were an order of magnitude lower for Durham and Cincinnati (0.22 and 0.47 leaks/mi, respectively) than for Manhattan (4.25 leaks/mi) and two previously mapped cities, Boston (4.28 leaks/mi) and Washington, DC (3.93 leaks/mi). Cities with successful pipeline replacement programs have 90% fewer leaks per mile than cities without such programs. Similar programs around the world should provide additional environmental, economic, and consumer safety benefits.
C1 [Gallagher, Morgan E.; Jackson, Robert B.] Stanford Univ, Sch Earth Energy & Environm Sci, Stanford, CA 94305 USA.
[Gallagher, Morgan E.] Duke Univ, Nicholas Sch Environm, Durham, NC 27708 USA.
[Gallagher, Morgan E.] Duke Univ, Ctr Global Change, Durham, NC 27708 USA.
[Down, Adrian] US DOE, Off Energy Policy & Syst Anal, Washington, DC 20002 USA.
[Ackley, Robert C.] Gas Safety Inc, Southborough, MA 01772 USA.
[Zhao, Kaiguang] Ohio State Univ, OARDC, Sch Environm & Nat Resources, Wooster, OH 44691 USA.
[Phillips, Nathan] Boston Univ, Dept Earth & Environm, Boston, MA 02215 USA.
[Jackson, Robert B.] Stanford Univ, Woods Inst Environm, Stanford, CA 94305 USA.
[Jackson, Robert B.] Stanford Univ, Precourt Inst Energy, Stanford, CA 94305 USA.
RP Jackson, RB (reprint author), Stanford Univ, Sch Earth Energy & Environm Sci, Stanford, CA 94305 USA.
EM rob.jackson@stanford.edu
RI Zhao, Kaiguang/D-1172-2010
FU Stanford University's School of Earth, Energy, and Environmental
Sciences; Woods Institute for the Environment; Precourt Institute for
Energy
FX We thank Stanford University's School of Earth, Energy, and
Environmental Sciences, the Woods Institute for the Environment, and the
Precourt Institute for Energy for supporting this research. The paper is
a contribution to the Stanford Natural Gas Initiative.
NR 23
TC 4
Z9 4
U1 7
U2 26
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2328-8930
J9 ENVIRON SCI TECH LET
JI Environ. Sci. Technol. Lett.
PD OCT
PY 2015
VL 2
IS 10
BP 286
EP 291
DI 10.1021/acs.estlett.5b00213
PG 6
WC Engineering, Environmental; Environmental Sciences
SC Engineering; Environmental Sciences & Ecology
GA CT6NW
UT WOS:000362930700006
ER
PT J
AU Lin, H
Lu, X
Liang, LY
Gu, BH
AF Lin, Hui
Lu, Xia
Liang, Liyuan
Gu, Baohua
TI Thiol-Facilitated Cell Export and Desorption of Methylmercury by
Anaerobic Bacteria
SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LETTERS
LA English
DT Article
ID DISSOLVED ORGANIC-MATTER; GEOBACTER-SULFURREDUCENS PCA; MERCURY
METHYLATION; LIGANDS; BIOAVAILABILITY; RESISTANCE; REDUCTION; OXIDATION;
CYSTEINE; SYSTEMS
AB Methylmercury (MeHg) toxin, formed by anaerobic bacteria, is rapidly excreted from cells, but the mechanism of this process is unclear. We studied the factors affecting MeHg export and its distribution in cells, on cell surfaces, and in solution by two known mercury methylators, Geobacter sulfurreducens PCA and Desulfovibrio desulfuricans ND132. Thiols, such as cysteine, were found to greatly facilitate desorption and export of MeHg, particularly by PCA cells. In cysteine-free assays (4 h), less than 10% of the synthesized MeHg was found in solution and greater than 90% was associated with PCA, of which about 73% was sorbed on the cell surface and 19% remained inside the cells. In comparison, 77% of MeHg was in solution, leaving about 13% of MeHg sorbed and about 10% inside the ND 132 cells. Our results demonstrate that MeHg export is bacteria specific, time dependent, and influenced by thiols, implicating important roles of ligands, such as natural organic matter, in MeHg production and mobilization in the environment.
C1 [Lin, Hui; Lu, Xia; Liang, Liyuan; Gu, Baohua] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37830 USA.
[Lu, Xia] Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou 730000, Peoples R China.
RP Gu, BH (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37830 USA.
EM gub1@ornl.gov
RI Gu, Baohua/B-9511-2012
OI Gu, Baohua/0000-0002-7299-2956
FU Office of Biological and Environmental Research, Office of Science, U.S.
Department of Energy (DOE) as part of the Mercury Science Focus Area at
Oak Ridge National Laboratory; DOE [DE-AC05-00OR22725]
FX We thank Dwayne Elias and Alex Jobs for reviewing the manuscript and
Xiangping Yin for assistance in mercury and methylmercury analyses. This
research was supported by the Office of Biological and Environmental
Research, Office of Science, U.S. Department of Energy (DOE) as part of
the Mercury Science Focus Area at Oak Ridge National Laboratory, which
is managed by UT-Battelle LLC for the DOE under contract
DE-AC05-00OR22725.
NR 28
TC 3
Z9 3
U1 5
U2 23
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2328-8930
J9 ENVIRON SCI TECH LET
JI Environ. Sci. Technol. Lett.
PD OCT
PY 2015
VL 2
IS 10
BP 292
EP 296
DI 10.1021/acs.estlett.5b00209
PG 5
WC Engineering, Environmental; Environmental Sciences
SC Engineering; Environmental Sciences & Ecology
GA CT6NW
UT WOS:000362930700007
ER
PT J
AU Jia, DN
Cathary, O
Peng, JH
Bi, XT
Lim, CJ
Sokhansanj, S
Liu, YP
Wang, RX
Tsutsumi, A
AF Jia, Dening
Cathary, Oceane
Peng, Jianghong
Bi, Xiaotao
Lim, C. Jim
Sokhansanj, Shahab
Liu, Yuping
Wang, Ruixu
Tsutsumi, Atsushi
TI Fluidization and drying of biomass particles in a vibrating fluidized
bed with pulsed gas flow
SO FUEL PROCESSING TECHNOLOGY
LA English
DT Article
DE Fluidized bed; Gas-solid flow; Drying; Biomass; Vibration; Pulsation
ID DRYER; KINETICS; SAWDUST; QUALITY; SEEDS
AB Fluidization of biomass particles in the absence of inert bed materials has been tested in a pulsed fluidized bed with vibration, with the pulsation frequency ranging from 033 to 6.67 Hz. Intermittent fluidization at 033 Hz and apparently 'normal' fluidization at 6.67 Hz with regular bubble patterns were observed. Pulsation has proven to be effective in overcoming the bridging of irregular biomass particles induced by strong inter-particle forces. The vibration is only effective when the pulsation is inadequate, either at too low a frequency or too low in amplitude. Drying of biomass has been carried out to quantify the effectiveness of gas pulsation for fluidized bed dryers and torrefiers in terms of gas-solid contact efficiency and heat and mass transfer rates. The effects of gas flow rate, bed temperature, pulsation frequency and vibration intensity on drying performance have been systematically investigated. While higher temperature and gas flow rate are favored in drying, there exists an optimal range of pulsation frequency between 0.75 Hz and 1.5 Hz where gas-solid contact is enhanced in both the constant rate drying and falling rate drying periods. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Jia, Dening; Peng, Jianghong; Bi, Xiaotao; Lim, C. Jim; Sokhansanj, Shahab; Wang, Ruixu] Univ British Columbia, Dept Chem & Biol Engn, Vancouver, BC V6T 1Z3, Canada.
[Cathary, Oceane] Ecole Natl Super Tech Avancees, F-92120 Palaiseau, France.
[Sokhansanj, Shahab] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
[Liu, Yuping; Tsutsumi, Atsushi] Univ Tokyo, Inst Ind Sci, Collaborat Res Ctr Energy Engn, Meguro Ku, Tokyo 1538505, Japan.
RP Bi, XT (reprint author), Univ British Columbia, Dept Chem & Biol Engn, 2360 East Mall, Vancouver, BC V6T 1Z3, Canada.
OI Jia, Dening/0000-0001-7515-5400
FU Natural Sciences and Engineering Research Council of Canada (NSERC)
FX The authors are grateful to the Natural Sciences and Engineering
Research Council of Canada (NSERC) for the financial support in the form
of a Canada-Japan joint Strategic Project, Tolko Industries Ltd. for the
generous donation of tested biomass samples, and Noram Engineering and
Constructions for its in-kind contribution to the project.
NR 44
TC 6
Z9 6
U1 7
U2 21
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0378-3820
EI 1873-7188
J9 FUEL PROCESS TECHNOL
JI Fuel Process. Technol.
PD OCT
PY 2015
VL 138
BP 471
EP 482
DI 10.1016/j.fuproc.2015.06.023
PG 12
WC Chemistry, Applied; Energy & Fuels; Engineering, Chemical
SC Chemistry; Energy & Fuels; Engineering
GA CT6JV
UT WOS:000362920200055
ER
PT J
AU Hirooka, Y
Mazzitelli, G
Mirnov, S
Ono, M
Shimada, M
Tabares, FL
AF Hirooka, Y.
Mazzitelli, G.
Mirnov, S.
Ono, M.
Shimada, M.
Tabares, F. L.
TI A REVIEW OF THE PRESENT STATUS AND FUTURE PROSPECTS OF THE APPLICATION
OF LIQUID METALS FOR PLASMA-FACING COMPONENTS IN MAGNETIC FUSION DEVICES
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT 21st American-Nuclear-Society (ANS) Topical Meeting on the Technology of
Fusion Energy (TOFE)
CY NOV 10-13, 2014
CL Anaheim, CA
SP Amer Nucl Soc, US Dept Energy, Off Fusion Energy Sci
ID LITHIUM DIVERTOR; TUNGSTEN; FIELDS
AB The application of liquid metals for plasma-facing components draws increasing interest as a potential means to resolve the technical issues assciated with exhaust power and particle handling in magnetic fusion devices beyond the International Thermonuclear Reactor Experiment (ITER). However, our knowledge is extremely limited at present about the physics as well as chemistry of the interactions between liquid metals and edge plasmas in a strong magnetic field. This paper is intended to provide a review of the present status and future propects of this subject.
C1 [Hirooka, Y.] Grad Univ Adv Studies, Natl Inst Fus Sci, Toki, Gifu 5095292, Japan.
[Mazzitelli, G.] Assoc EURATOM ENEA Fus, Ctr Ric Frascati, I-00044 Frascati, Italy.
[Mirnov, S.] TRINITI, Troitsk 142190, Moscow Reg, Russia.
[Ono, M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Shimada, M.] JAEA Int Fus Res Ctr, IFERC Obuchi, Rokkasho, Aomori, Japan.
[Tabares, F. L.] As EURATOM CIEMAT, Natl Inst Fus, Madrid 28040, Spain.
RP Hirooka, Y (reprint author), Grad Univ Adv Studies, Natl Inst Fus Sci, 322-6 Oroshi, Toki, Gifu 5095292, Japan.
EM hirooka.yoshihiko@nifs.ac.jp
FU Japanese Government JSPS [24360387, 26630475]
FX This research has been supported by the Japanese Government JSPS Grants
# 24360387 and #26630475.
NR 28
TC 1
Z9 1
U1 1
U2 6
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD OCT
PY 2015
VL 68
IS 3
BP 477
EP 483
PG 7
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CT6OX
UT WOS:000362933400003
ER
PT J
AU Zhai, Y
Loesser, G
Smith, M
Wang, W
Udintsev, V
Giacomin, T
Khodak, A
Johnson, D
Feder, R
AF Zhai, Y.
Loesser, G.
Smith, M.
Wang, W.
Udintsev, V.
Giacomin, T.
Khodak, A.
Johnson, D.
Feder, R.
TI MULTIPHYSICS ENGINEERING ANALYSIS FOR ITER DIAGNOSTIC FIRST WALL AND
SHIELD MODULE DESIGN
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT 21st American-Nuclear-Society (ANS) Topical Meeting on the Technology of
Fusion Energy (TOFE)
CY NOV 10-13, 2014
CL Anaheim, CA
SP Amer Nucl Soc, US Dept Energy, Off Fusion Energy Sci
ID PORT PLUGS; DISRUPTIONS
AB ITER diagnostic first walls (DFWs) and diagnostic shield modules (DSMs) inside the port plugs (PPs) are designed to protect diagnostic instrument and components from a harsh plasma environment and provide structural support while allowing for diagnostic access to the plasma. The design of DFWs and DSMs are driven by 1) plasma radiation and nuclear heating during normal operation 2) electromagnetic loads during plasma events and associate component structural responses. A multi-physics engineering analysis protocol for the design has been established at Princeton Plasma Physics Laboratory and it was used for the design of ITER DFWs and DSMs. The analyses were performed to address challenging design issues based on resultant stresses and deflections of the DFW-DSM-PP assembly for the main load cases. ITER Structural Design Criteria for In-Vessel Components (SDC-IC) required for design by analysis and three major issues driving the mechanical design of ITER DFWs are discussed. The general guidelines for the DSM design have been established as a result of design parametric studies.
C1 [Zhai, Y.; Loesser, G.; Smith, M.; Wang, W.; Khodak, A.; Johnson, D.; Feder, R.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Udintsev, V.; Giacomin, T.] ITER Org, F-13115 St Paul Les Durance, France.
RP Zhai, Y (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
EM yzhai@pppl.gov
FU US DOE [DE-AC02-09CH11466]
FX This work is supported by US DOE Contract No. DE-AC02-09CH11466.
NR 9
TC 1
Z9 1
U1 1
U2 3
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD OCT
PY 2015
VL 68
IS 3
BP 526
EP 530
DI 10.13182/FST15-103
PG 5
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CT6OX
UT WOS:000362933400012
ER
PT J
AU Zurita, MDM
Thomsen, DC
Smith, TF
Lyth, A
Preston, BL
Baum, S
AF Zurita, Maria de Lourdes Melo
Thomsen, Dana C.
Smith, Timothy F.
Lyth, Anna
Preston, Benjamin L.
Baum, Scott
TI Reframing water: Contesting H2O within the European Union
SO GEOFORUM
LA English
DT Article
DE Hydrosocial cycle; Neoliberalism; Water governance; European Union;
Water Framework Directive
ID HYDROSOCIAL CYCLE; RESOURCES MANAGEMENT; POLITICAL ECOLOGY;
LATIN-AMERICA; FRAMEWORK; PRIVATIZATION; GOVERNANCE; SCIENCE; SOUTH;
SUSTAINABILITY
AB Water fulfills multiple functions and is instilled with numerous meanings: it is concurrently an economic input, an aesthetic reference, a religious symbol, a public good, a fundamental resource for public health, and a biophysical need for humans and ecosystems. Hence, water has multiple ontologies embedded within diverse social, cultural, spiritual, and political domains. For this paper, we reviewed 78 pieces of water legislation across the European Union, critically analysing the different ways in which water has been defined; subsequently we contrasted these definitions against the European Union Water Framework Directive (WFD). We argue that the act of defining water is not only a deeply social and political process, but that it often privileges specific worldviews; and that the impetus of the WFD reveals a neoliberal approach to water governance: an emphasis on water as a commercial product that should be subjected to market influences. Subsequently, we conclude that the emerging concept of the 'hydrosocial cycle,' which emphasises the inherent links between water and society, could be a useful heuristic tool to promote a broader conception of water based on diverse understandings, that challenge hegemonic definitions of water. (C) 2015 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
C1 [Zurita, Maria de Lourdes Melo; Thomsen, Dana C.; Smith, Timothy F.; Lyth, Anna] Univ Sunshine Coast, Sustainabil Res Ctr, Maroochydore 4558, Australia.
[Zurita, Maria de Lourdes Melo] Macquarie Univ, Dept Geog & Environm, Sydney, NSW 2109, Australia.
[Lyth, Anna] Univ Tasmania, Geog & Spatial Studies, Sch Land & Food, Hobart, Tas 7005, Australia.
[Preston, Benjamin L.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN USA.
[Baum, Scott] Griffith Univ, Urban Res Program, Brisbane, Qld 4111, Australia.
RP Zurita, MDM (reprint author), Univ Sunshine Coast, Sustainabil Res Ctr, Maroochydore 4558, Australia.
EM mmelozur@usc.edu.au
OI Preston, Benjamin/0000-0002-7966-2386
FU "Europe and Global Challenges programme" by Compagnia di San Paolo;
VolkswagenStiftung; Riksbankens Jubileumsfond
FX This paper is part of the CADWAGO project (climate change adaptation and
water governance: reconciling food security, renewable energy and the
provision of multiple ecosystem services). CADWAGO is funded as part of
the "Europe and Global Challenges programme" by Compagnia di San Paolo,
VolkswagenStiftung and Riksbankens Jubileumsfond.
NR 71
TC 3
Z9 3
U1 2
U2 8
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0016-7185
EI 1872-9398
J9 GEOFORUM
JI Geoforum
PD OCT
PY 2015
VL 65
BP 170
EP 178
DI 10.1016/j.geoforum.2015.07.022
PG 9
WC Geography
SC Geography
GA CT5OO
UT WOS:000362859900016
ER
PT J
AU Philippakis, AA
Azzariti, DR
Beltran, S
Brookes, AJ
Brownstein, CA
Brudno, M
Brunner, HG
Buske, OJ
Carey, K
Doll, C
Dumitriu, S
Dyke, SOM
den Dunnen, JT
Firth, HV
Gibbs, RA
Girdea, M
Gonzalez, M
Haendel, MA
Hamosh, A
Holm, IA
Huang, L
Hurles, ME
Hutton, B
Krier, JB
Misyura, A
Mungall, CJ
Paschall, J
Paten, B
Robinson, PN
Schiettecatte, F
Sobreira, NL
Swaminathan, GJ
Taschner, PE
Terry, SF
Washington, NL
Zuchner, S
Boycott, KM
Rehm, HL
AF Philippakis, Anthony A.
Azzariti, Danielle R.
Beltran, Sergi
Brookes, Anthony J.
Brownstein, Catherine A.
Brudno, Michael
Brunner, Han G.
Buske, Orion J.
Carey, Knox
Doll, Cassie
Dumitriu, Sergiu
Dyke, Stephanie O. M.
den Dunnen, Johan T.
Firth, Helen V.
Gibbs, Richard A.
Girdea, Marta
Gonzalez, Michael
Haendel, Melissa A.
Hamosh, Ada
Holm, Ingrid A.
Huang, Lijia
Hurles, Matthew E.
Hutton, Ben
Krier, Joel B.
Misyura, Andriy
Mungall, Christopher J.
Paschall, Justin
Paten, Benedict
Robinson, Peter N.
Schiettecatte, Francois
Sobreira, Nara L.
Swaminathan, Ganesh J.
Taschner, Peter E.
Terry, Sharon F.
Washington, Nicole L.
Zuechner, Stephan
Boycott, Kym M.
Rehm, Heidi L.
TI The Matchmaker Exchange: A Platform for Rare Disease Gene Discovery
SO HUMAN MUTATION
LA English
DT Article
DE matchmaking; rare disease; genomic API; gene discovery; Matchmaker
Exchange; GA4GH, IRDiRC
ID IDENTIFICATION; TOOL
AB There are few better examples of the need for data sharing than in the rare disease community, where patients, physicians, and researchers must search for "the needle in a haystack" to uncover rare, novel causes of disease within the genome. Impeding the pace of discovery has been the existence of many small siloed datasets within individual research or clinical laboratory databases and/or disease-specific organizations, hoping for serendipitous occasions when two distant investigators happen to learn they have a rare phenotype in common and can "match" these cases to build evidence for causality. However, serendipity has never proven to be a reliable or scalable approach in science. As such, the Matchmaker Exchange (MME) was launched to provide a robust and systematic approach to rare disease gene discovery through the creation of a federated network connecting databases of genotypes and rare phenotypes using a common application programming interface (API). The core building blocks of the MME have been defined and assembled. Three MME services have now been connected through the API and are available for community use. Additional databases that support internal matching are anticipated to join the MME network as it continues to grow. (C) 2015 Wiley Periodicals, Inc.
C1 [Philippakis, Anthony A.; Rehm, Heidi L.] Harvard Univ, Broad Inst, Cambridge, MA 02138 USA.
[Philippakis, Anthony A.; Rehm, Heidi L.] MIT, Cambridge, MA 02139 USA.
[Philippakis, Anthony A.; Washington, Nicole L.] Brigham & Womens Hosp, Dept Cardiol, Boston, MA 02115 USA.
[Philippakis, Anthony A.; Brownstein, Catherine A.; Holm, Ingrid A.; Krier, Joel B.; Rehm, Heidi L.] Harvard Univ, Sch Med, Boston, MA USA.
[Azzariti, Danielle R.; Rehm, Heidi L.] Partners Lab Mol Med, Mol Med Lab, Cambridge, MA 02139 USA.
[Beltran, Sergi] Ctr Nacl Anal Genom, Barcelona, Spain.
[Brookes, Anthony J.] Univ Leicester, Dept Genet, Leicester LE1 7RH, Leics, England.
[Brownstein, Catherine A.; Holm, Ingrid A.] Boston Childrens Hosp, Div Genet & Genom, Boston, MA USA.
[Brownstein, Catherine A.; Holm, Ingrid A.] Boston Childrens Hosp, Manton Ctr Orphan Dis Res, Boston, MA USA.
[Brudno, Michael; Buske, Orion J.; Girdea, Marta] Univ Toronto, Dept Comp Sci, Toronto, ON, Canada.
[Brudno, Michael; Buske, Orion J.] Hosp Sick Children, Genet & Genome Biol Program, Toronto, ON M5G 1X8, Canada.
[Brudno, Michael; Buske, Orion J.; Dumitriu, Sergiu; Girdea, Marta; Misyura, Andriy] Hosp Sick Children, Ctr Computat Med, Toronto, ON M5G 1X8, Canada.
[Brunner, Han G.] Radboud Univ Nijmegen, Med Ctr, Dept Human Genet, NL-6500 HB Nijmegen, Netherlands.
[Brunner, Han G.] Maastricht Univ, Med Ctr, Dept Clin Genet, NL-6202 AZ Maastricht, Netherlands.
[Carey, Knox] Gene Cloud, Orange, CA USA.
[Doll, Cassie] Google Inc, Mountain View, CA USA.
[Dyke, Stephanie O. M.] McGill Univ, Fac Med, Ctr Genom & Policy, Quebec City, PQ, Canada.
[den Dunnen, Johan T.; Taschner, Peter E.] Leiden Univ, Med Ctr, Human & Clin Genet, Leiden, Netherlands.
[Firth, Helen V.] Cambridge Univ Hosp NHS Fdn Trust, East Anglian Med Genet Serv, Cambridge CB2 0QQ, England.
[Gibbs, Richard A.] Baylor Coll Med, Human Genome Sequencing Ctr, Houston, TX 77030 USA.
[Gonzalez, Michael] Genesis Project Inc, Miami, FL USA.
[Haendel, Melissa A.] Oregon Hlth & Sci Univ, Dept Med Informat & Clin Epidemiol, Portland, OR 97201 USA.
[Hamosh, Ada; Sobreira, Nara L.] Johns Hopkins Univ, McKusick Nathans Inst Genet Med, Baltimore, MD USA.
[Huang, Lijia] Eastern Ontario Res Inst, Childrens Hosp, Ottawa, ON, Canada.
[Hurles, Matthew E.; Hutton, Ben; Swaminathan, Ganesh J.] Wellcome Trust Res Labs, Wellcome Trust Sanger Inst, Hinxton CB10 1SA, England.
[Krier, Joel B.] Brigham & Womens Hosp, Dept Med, Div Genet, Boston, MA 02115 USA.
[Mungall, Christopher J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA.
[Paschall, Justin] Wellcome Trust Res Labs, European Bioinformat Inst, European Mol Biol Lab, Hinxton CB10 1SD, Cambs, England.
[Paten, Benedict] UC Santa Cruz Genom Inst, Santa Cruz, CA USA.
[Robinson, Peter N.] Charite, Inst Med Genet & Human Genet, D-13353 Berlin, Germany.
[Robinson, Peter N.] Max Planck Inst Mol Genet, D-14195 Berlin, Germany.
[Robinson, Peter N.] Free Univ Berlin, Dept Math & Comp Sci, Inst Bioinformat, D-14195 Berlin, Germany.
[Robinson, Peter N.] Berlin Brandenburg Ctr Regenerat Therapies, D-13353 Berlin, Germany.
[Schiettecatte, Francois] FS Consulting LLC, Salem, MA 01970 USA.
[Swaminathan, Ganesh J.] Univ Appl Sci Leiden, Generade Ctr Expertise Genom, Leiden, Netherlands.
[Terry, Sharon F.] Genet Alliance, Washington, DC USA.
[Zuechner, Stephan] Univ Miami, Miller Sch Med, Dept Human Genet, Dr John T Macdonald Fdn, Miami, FL 33136 USA.
[Zuechner, Stephan] Univ Miami, Miller Sch Med, John P Hussman Inst Human Genom, Miami, FL 33136 USA.
[Boycott, Kym M.] Childrens Hosp Eastern Ontario, Dept Genet, Ottawa, ON K1H 8L1, Canada.
[Rehm, Heidi L.] Brigham & Womens Hosp, Dept Pathol, Boston, MA 02115 USA.
RP Rehm, HL (reprint author), Partners Lab Mol Med, 65 Landsdowne St, Cambridge, MA 02139 USA.
EM hrehm@partners.org
RI Beltran, Sergi/I-3408-2015;
OI Beltran, Sergi/0000-0002-2810-3445; Swaminathan,
Jawahar/0000-0002-0215-4084; Carey, William Knox/0000-0002-3249-8136;
Taschner, Peter/0000-0001-9621-465X
FU NIH [U41HG006834, T32GM007748, R01NS075764, 5R01NS072248, U54NS065712,
U54HG006542, N01CO42400-80, HG007530, HG007690, U54HG007990, HD077671,
5R24OD011883, U54HG003273]; BioSHaRE-EU project (EC FP7) [261433]; PCORI
[PPRN-1306-04899]; RobertWood Johnson Foundation [71636]; PXE
International; Genome Canada; Canadian Institutes of Health Research
[EP1-120608, EP2-120609]; Ontario Genomics Institute; NSERC/CIHR
Collaborative Health Research Project (CHRP); Garron Family Cancer
Centre and Hospital for Sick Children Foundation Student Scholarship
Program; Broad Ignite Award; NCI Cloud Pilot [N01CO42400-80]; Wellcome
Trust [WT098051]; Director, Office of Science; Office of Basic Energy
Sciences of US Department of Energy [DE-AC02-05CH11231]; European Union
Seventh Framework Programme [305444, U54 HG003273]; Canada Research
Chair in Law and Medicine; Public Population Project in Genomics and
Society (P3G)
FX Contract grant sponsors: NIH (grants U41HG006834, T32GM007748,
R01NS075764, 5R01NS072248, U54NS065712, U54HG006542, N01CO42400-80,
HG007530, HG007690, U54HG007990, HD077671, 5R24OD011883, U54HG003273);
BioSHaRE-EU project (EC FP7, #261433); PCORI (contract PPRN-1306-04899);
RobertWood Johnson Foundation (grant 71636); PXE International; Genome
Canada; Canadian Institutes of Health Research (grants EP1-120608,
EP2-120609); the Ontario Genomics Institute; NSERC/CIHR Collaborative
Health Research Project (CHRP); the Garron Family Cancer Centre and
Hospital for Sick Children Foundation Student Scholarship Program; Broad
Ignite Award; NCI Cloud Pilot (grant N01CO42400-80); Wellcome Trust
(grant number WT098051); Director, Office of Science, Office of Basic
Energy Sciences of the US Department of Energy (contract no.
DE-AC02-05CH11231); European Union Seventh Framework Programme
(FP7/2007-2013) (grant agreement no. 305444); U54 HG003273; Canada
Research Chair in Law and Medicine; Public Population Project in
Genomics and Society (P3G).
NR 27
TC 44
Z9 44
U1 1
U2 12
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1059-7794
EI 1098-1004
J9 HUM MUTAT
JI Hum. Mutat.
PD OCT
PY 2015
VL 36
IS 10
SI SI
BP 915
EP 921
DI 10.1002/humu.22858
PG 7
WC Genetics & Heredity
SC Genetics & Heredity
GA CT7IX
UT WOS:000362989500001
PM 26295439
ER
PT J
AU Buske, OJ
Schiettecatte, F
Hutton, B
Dumitriu, S
Misyura, A
Huang, LJ
Hartley, T
Girdea, M
Sobreira, N
Mungall, C
Brudno, M
AF Buske, Orion J.
Schiettecatte, Francois
Hutton, Benjamin
Dumitriu, Sergiu
Misyura, Andriy
Huang, Lijia
Hartley, Taila
Girdea, Marta
Sobreira, Nara
Mungall, Chris
Brudno, Michael
TI The Matchmaker Exchange API: Automating Patient Matching Through the
Exchange of Structured Phenotypic and Genotypic Profiles
SO HUMAN MUTATION
LA English
DT Article
DE patient matchmaking; genomic API; rare disease; GA4GH; HPO; Matchmaker
Exchange
ID ONTOLOGY; PROJECT; DISEASE
AB Despite the increasing prevalence of clinical sequencing, the difficulty of identifying additional affected families is a key obstacle to solving many rare diseases. There may only be a handful of similar patients worldwide, and their data may be stored in diverse clinical and research databases. Computational methods are necessary to enable finding similar patients across the growing number of patient repositories and registries. We present the Matchmaker Exchange Application Programming Interface (MME API), a protocol and data format for exchanging phenotype and genotype profiles to enable matchmaking among patient databases, facilitate the identification of additional cohorts, and increase the rate with which rare diseases can be researched and diagnosed. We designed the API to be straightforward and flexible in order to simplify its adoption on a large number of data types and workflows. We also provide a public test data set, curated from the literature, to facilitate implementation of the API and development of new matching algorithms. The initial version of the API has been successfully implemented by three members of the Matchmaker Exchange and was immediately able to reproduce previously identified matches and generate several new leads currently being validated. The API is available at https://github.com/ga4gh/mme-apis. (C) 2015 Wiley Periodicals, Inc.
C1 [Buske, Orion J.; Brudno, Michael] Hosp Sick Children, Genet & Genome Biol Program, Toronto, ON M5G 1X8, Canada.
[Buske, Orion J.; Girdea, Marta; Brudno, Michael] Univ Toronto, Dept Comp Sci, Toronto, ON, Canada.
[Buske, Orion J.; Dumitriu, Sergiu; Misyura, Andriy; Girdea, Marta; Brudno, Michael] Hosp Sick Children, Ctr Computat Med, Toronto, ON M5G 1X8, Canada.
[Schiettecatte, Francois] FS Consulting LLC, Salem, MA USA.
[Hutton, Benjamin] Wellcome Trust Sanger Inst, Cambridge, England.
[Huang, Lijia; Hartley, Taila] Childrens Hosp Eastern Ontario, Res Inst, Ottawa, ON K1H 8L1, Canada.
[Sobreira, Nara] Johns Hopkins Univ, Sch Med, McKusick Nathans Inst Genet Med, Baltimore, MD USA.
[Mungall, Chris] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA.
RP Buske, OJ (reprint author), Hosp Sick Children, Genet & Genome Biol Program, 555 Univ Ave, Toronto, ON M5G 1X8, Canada.
EM api@matchmakerexchange.org
FU International Rare Disease Research Consortium (IRDiRC); Global Alliance
for Genomics and Health (GA4GH); Clinical Genome Resource (ClinGen);
National Human Genome Research Institute [1U54HG006542]; Genome Canada;
Canadian Institutes for Health Research through Large Scale Advanced
Research (LSARP); Bioinformatics/Computational Biology (BCB) Programs;
Garron Family Cancer Centre and Hospital for Sick Children Foundation
FX We are grateful to all member of the Matchmaker Exchange working group
for steering our effort, as well as to the leadership of the
International Rare Disease Research Consortium (IRDiRC), the Global
Alliance for Genomics and Health (GA4GH), and the Clinical Genome
Resource (ClinGen) for supporting the MME project. The development of
the MME API was supported by funding from the National Human Genome
Research Institute (1U54HG006542) as well as Genome Canada and the
Canadian Institutes for Health Research through the Large Scale Advanced
Research (LSARP) and Bioinformatics/Computational Biology (BCB)
Programs. OB was supported by the Garron Family Cancer Centre and
Hospital for Sick Children Foundation Student Scholarship Program.
NR 9
TC 7
Z9 7
U1 0
U2 0
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1059-7794
EI 1098-1004
J9 HUM MUTAT
JI Hum. Mutat.
PD OCT
PY 2015
VL 36
IS 10
SI SI
BP 922
EP 927
DI 10.1002/humu.22850
PG 6
WC Genetics & Heredity
SC Genetics & Heredity
GA CT7IX
UT WOS:000362989500002
PM 26255989
ER
PT J
AU Buske, OJ
Girdea, M
Dumitriu, S
Gallinger, B
Hartley, T
Trang, H
Misyura, A
Friedman, T
Beaulieu, C
Bone, WP
Links, AE
Washington, NL
Haendel, MA
Robinson, PN
Boerkoel, CF
Adams, D
Gahl, WA
Boycott, KM
Brudno, M
AF Buske, Orion J.
Girdea, Marta
Dumitriu, Sergiu
Gallinger, Bailey
Hartley, Taila
Trang, Heather
Misyura, Andriy
Friedman, Tal
Beaulieu, Chandree
Bone, William P.
Links, Amanda E.
Washington, Nicole L.
Haendel, Melissa A.
Robinson, Peter N.
Boerkoel, Cornelius F.
Adams, David
Gahl, William A.
Boycott, Kym M.
Brudno, Michael
TI PhenomeCentral: A Portal for Phenotypic and Genotypic Matchmaking of
Patients with Rare Genetic Diseases
SO HUMAN MUTATION
LA English
DT Article
DE deep phenotyping; HPO; patient matchmaking; semantic similarity;
Matchmaker Exchange
ID SEMANTIC SIMILARITY; DISORDERS; DISCOVERY; ONTOLOGY; EXCHANGE; ACCURATE;
SEARCHES; PROJECT; BIOLOGY; TOOL
AB The discovery of disease-causing mutations typically requires confirmation of the variant or gene in multiple unrelated individuals, and a large number of rare genetic diseases remain unsolved due to difficulty identifying second families. To enable the secure sharing of case records by clinicians and rare disease scientists, we have developed the PhenomeCentral portal (https://phenomecentral.org). Each record includes a phenotypic description and relevant genetic information (exome or candidate genes). PhenomeCentral identifies similar patients in the database based on semantic similarity between clinical features, automatically prioritized genes from whole-exome data, and candidate genes entered by the users, enabling both hypothesis-free and hypothesis-driven matchmaking. Users can then contact other submitters to follow up on promising matches. PhenomeCentral incorporates data for over 1,000 patients with rare genetic diseases, contributed by the FORGE and Care4Rare Canada projects, the US NIH Undiagnosed Diseases Program, the EU Neuromics and ANDDIrare projects, as well as numerous independent clinicians and scientists. Though the majority of these records have associated exome data, most lack a molecular diagnosis. PhenomeCentral has already been used to identify causative mutations for several patients, and its ability to find matching patients and diagnose these diseases will grow with each additional patient that is entered. (C) 2015 Wiley Periodicals, Inc.
C1 [Buske, Orion J.; Girdea, Marta; Friedman, Tal; Brudno, Michael] Univ Toronto, Dept Comp Sci, Toronto, ON, Canada.
[Buske, Orion J.; Girdea, Marta; Brudno, Michael] Hosp Sick Children, Genet & Genome Biol Program, Toronto, ON M5G 1X8, Canada.
[Buske, Orion J.; Girdea, Marta; Dumitriu, Sergiu; Gallinger, Bailey; Trang, Heather; Misyura, Andriy; Brudno, Michael] Hosp Sick Children, Ctr Computat Med, Toronto, ON M5G 1X8, Canada.
[Gallinger, Bailey; Trang, Heather] Hosp Sick Children, Div Clin & Metab Genet, Toronto, ON M5G 1X8, Canada.
[Hartley, Taila; Beaulieu, Chandree; Boycott, Kym M.] Childrens Hosp Eastern Ontario, Res Inst, Ottawa, ON K1H 8L1, Canada.
[Bone, William P.; Links, Amanda E.; Boerkoel, Cornelius F.; Adams, David; Gahl, William A.] NIH, Undiagnosed Dis Program, Common Fund, Off Director, Bethesda, MD 20892 USA.
[Washington, Nicole L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA.
[Haendel, Melissa A.] Oregon Hlth & Sci Univ, Dept Med Informat & Clin Epidemiol, Portland, OR 97201 USA.
[Robinson, Peter N.] Charite, Inst Med Genet & Human Genet, D-13353 Berlin, Germany.
RP Brudno, M (reprint author), 10 Kings Coll Rd,SF3304, Toronto, ON M5S 3G4, Canada.
EM brudno@cs.toronto.edu
FU Genome Canada; Canadian Institutes of Health Research; Ontario Genomics
Institute; Ontario Research Fund; Genome Quebec; Children's Hospital of
Eastern Ontario Foundation; Hospital for Sick Children; NSERC/CIHR
Collaborative Health Research Project (CHRP); Garron Family Cancer
Centre and Hospital for Sick Children Foundation Student Scholarship
Program; NSERC Undergraduate Student Research Award
FX Contract grant sponsors: Care4Rare Canada Consortium funded by Genome
Canada; Canadian Institutes of Health Research; Ontario Genomics
Institute; Ontario Research Fund; Genome Quebec; Children's Hospital of
Eastern Ontario Foundation; Hospital for Sick Children; NSERC/CIHR
Collaborative Health Research Project (CHRP); Garron Family Cancer
Centre and Hospital for Sick Children Foundation Student Scholarship
Program; NSERC Undergraduate Student Research Award.
NR 31
TC 16
Z9 16
U1 0
U2 4
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1059-7794
EI 1098-1004
J9 HUM MUTAT
JI Hum. Mutat.
PD OCT
PY 2015
VL 36
IS 10
SI SI
BP 931
EP 940
DI 10.1002/humu.22851
PG 10
WC Genetics & Heredity
SC Genetics & Heredity
GA CT7IX
UT WOS:000362989500003
PM 26251998
ER
PT J
AU Mungall, CJ
Washington, NL
Nguyen-Xuan, J
Condit, C
Smedley, D
Kohler, S
Groza, T
Shefchek, K
Hochheiser, H
Robinson, PN
Lewis, SE
Haendel, MA
AF Mungall, Christopher J.
Washington, Nicole L.
Nguyen-Xuan, Jeremy
Condit, Christopher
Smedley, Damian
Koehler, Sebastian
Groza, Tudor
Shefchek, Kent
Hochheiser, Harry
Robinson, Peter N.
Lewis, Suzanna E.
Haendel, Melissa A.
TI Use of Model Organism and Disease Databases to Support Matchmaking for
Human Disease Gene Discovery
SO HUMAN MUTATION
LA English
DT Article
DE rare disease; informatics; ontology; phenotype; model systems;
Matchmaker Exchange
ID HUMAN PHENOTYPE ONTOLOGY; MOUSE; PROJECT; BIOLOGY; ACCESS; UBERON
AB The Matchmaker Exchange application programming interface (API) allows searching a patient's genotypic or phenotypic profiles across clinical sites, for the purposes of cohort discovery and variant disease causal validation. This API can be used not only to search for matching patients, but also to match against public disease and model organism data. This public disease data enable matching known diseases and variant-phenotype associations using phenotype semantic similarity algorithms developed by the Monarch Initiative. The model data can provide additional evidence to aid diagnosis, suggest relevant models for disease mechanism and treatment exploration, and identify collaborators across the translational divide. The Monarch Initiative provides an implementation of this API for searching multiple integrated sources of data that contextualize the knowledge about any given patient or patient family into the greater biomedical knowledge landscape. While this corpus of data can aid diagnosis, it is also the beginning of research to improve understanding of rare human diseases. (C) 2015 Wiley Periodicals, Inc.
C1 [Mungall, Christopher J.; Washington, Nicole L.; Nguyen-Xuan, Jeremy; Lewis, Suzanna E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA.
[Condit, Christopher] Univ Calif San Diego, San Diego Supercomp Ctr, La Jolla, CA USA.
[Smedley, Damian] Wellcome Trust Sanger Inst, Mouse Informat Grp, Hinxton, England.
[Koehler, Sebastian; Robinson, Peter N.] Charite, Inst Med & Human Genet, D-13353 Berlin, Germany.
[Groza, Tudor] Garvan Inst Med Res, Kinghorn Ctr Clin Genom, Sydney, NSW, Australia.
[Shefchek, Kent; Haendel, Melissa A.] Oregon Hlth & Sci Univ, Dept Biomed Informat & Clin Epidemiol, Portland, OR 97201 USA.
[Hochheiser, Harry] Univ Pittsburgh, Dept Biomed Informat, Pittsburgh, PA USA.
RP Mungall, CJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA.
EM cjmungall@lbl.gov
OI Kohler, Sebastian/0000-0002-5316-1399; Lewis,
Suzanna/0000-0002-8343-612X
FU NIH [R24OD011883]; Office of Science, Office of Basic Energy Sciences,
of the U.S. Department of Energy [DE-AC02-05CH11231]
FX Contract grant sponsors: NIH (R24OD011883); Director, Office of Science,
Office of Basic Energy Sciences, of the U.S. Department of Energy
(contract no. DE-AC02-05CH11231).
NR 28
TC 15
Z9 15
U1 0
U2 6
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1059-7794
EI 1098-1004
J9 HUM MUTAT
JI Hum. Mutat.
PD OCT
PY 2015
VL 36
IS 10
SI SI
BP 979
EP 984
DI 10.1002/humu.22857
PG 6
WC Genetics & Heredity
SC Genetics & Heredity
GA CT7IX
UT WOS:000362989500009
PM 26269093
ER
PT J
AU Chou, JCY
Lai, TH
Kim, J
Rotem, D
AF Chou, Jerry Chi-Yuan
Lai, Ting-Hsuan
Kim, Jinoh
Rotem, Doron
TI Exploiting Replication for Energy-Aware Scheduling in Disk Storage
Systems
SO IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS
LA English
DT Article
DE Energy-aware systems; storage management; scheduling
ID MANAGEMENT
AB This paper deals with the problem of scheduling requests on disks for minimizing energy consumption. We first analyze several versions of the energy-aware disk scheduling problem based on assumptions on the arrival pattern of the requests. We show that the corresponding optimization problems are NP-complete. Then both optimal and heuristic scheduling algorithms are proposed to maximize the energy saving of a storage system. We evaluate our approach using multiple realistic I/O traces, disk simulator and energy model. The results show that we significantly reduce energy consumption up to 55 percent and achieve fewer disk spin-up/down operations and shorter request response time as compared to other approaches. Since our approach attempts to dynamically assign each request to an energy optimized location, it can also benefit from other traditional static or semi-static solutions that rely on data placement or migration. Finally, we show that a write offloading technique can also be adapted into our solution to minimize the impact from write re quests in terms of energy consumption and request response time.
C1 [Chou, Jerry Chi-Yuan; Lai, Ting-Hsuan] Natl Tsing Hua Univ, Dept Comp Sci, Hsinchu 30043, Taiwan.
[Kim, Jinoh] Texas A&M Univ Commerce, Dept Comp Sci, Commerce, TX USA.
[Rotem, Doron] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Sci Data Management Grp, Berkeley, CA 94720 USA.
RP Chou, JCY (reprint author), Natl Tsing Hua Univ, Dept Comp Sci, Hsinchu 30043, Taiwan.
EM jchou@lsalab.cs.nthu.edu.tw; danlai@lsalab.cs.nthu.edu.tw;
jinoh.kim@tamuc.edu; d_rotem@lbl.gov
NR 29
TC 0
Z9 0
U1 1
U2 1
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1045-9219
EI 1558-2183
J9 IEEE T PARALL DISTR
JI IEEE Trans. Parallel Distrib. Syst.
PD OCT
PY 2015
VL 26
IS 10
BP 2734
EP 2749
DI 10.1109/TPDS.2014.2359011
PG 16
WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA CT4QJ
UT WOS:000362791400010
ER
PT J
AU Wu, S
Chen, HB
Di, S
Zhou, BB
Xie, ZJ
Jin, H
Shi, XH
AF Wu, Song
Chen, Haibao
Di, Sheng
Zhou, Bingbing
Xie, Zhenjiang
Jin, Hai
Shi, Xuanhua
TI Synchronization-Aware Scheduling for Virtual Clusters in Cloud
SO IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS
LA English
DT Article
DE Virtualization; virtual cluster; synchronization; scheduling; cloud
computing
AB Due to high flexibility and cost-effectiveness, cloud computing is increasingly being explored as an alternative to local clusters by academic and commercial users. Recent research already confirmed the feasibility of running tightly-coupled parallel applications with virtual clusters. However, such types of applications suffer from significant performance degradation, especially as the overcommitment is common in cloud. That is, the number of executable Virtual CPUs (VCPUs) is often larger than that of available Physical CPUs (PCPUs) in the system. The performance degradation is mainly due to the fact that the current virtual machine monitors (VMMs) are unaware of the synchronization requirements of the VMs which are running parallel applications. In this paper, There are two key contributions. (1) We propose an autonomous synchronization-aware VM scheduling (SVS) algorithm, which can effectively mitigate the performance degradation of tightly-coupled parallel applications running atop them in overcommitted situation. (2) We integrate the SVS algorithm into Xen VMM scheduler, and rigorously implement a prototype. We evaluate our design on a real cluster environment with NPB benchmark and real-world trace. Experiments show that our solution attains better performance for tightly-coupled parallel applications than the state-of-the-art approaches like Xen's Credit scheduler, balance scheduling, and hybrid scheduling.
C1 [Wu, Song; Chen, Haibao; Xie, Zhenjiang; Jin, Hai; Shi, Xuanhua] Huazhong Univ Sci & Technol, Sch Comp Sci & Technol, Serv Comp Technol & Syst Lab, Cluster & Grid Comp Lab, Wuhan 430074, Peoples R China.
[Di, Sheng] Argonne Natl Lab, Lemont, IL USA.
[Di, Sheng] INRIA, Grenoble, France.
[Zhou, Bingbing] Univ Sydney, Sydney, NSW 2006, Australia.
RP Wu, S (reprint author), Huazhong Univ Sci & Technol, Sch Comp Sci & Technol, Serv Comp Technol & Syst Lab, Cluster & Grid Comp Lab, Wuhan 430074, Peoples R China.
EM wusong@hust.edu.cn; chenhaibao@hust.edu.cn; sheng.di@inria.fr;
bing.zhou@sydney.edu.au; xiezhenjiang@hust.edu.cn; hjin@hust.edu.cn;
xhshi@hust.edu.cn
FU National Science Foundation of China [61232008, 61472151]; National 863
Hi-Tech Research and Development Program [2013AA01A213]; Chinese
Universities Scientific Fund [2013TS094]; Research Fund for the Doctoral
Program of MOE [20110142130005]; U.S. Department of Energy, Office of
Science [DE-AC02-06CH11357]
FX The authors thank the anonymous reviewers for their insightful comments
and suggestions. This work was supported by National Science Foundation
of China under grant No. 61232008 and No. 61472151, National 863 Hi-Tech
Research and Development Program under grant No. 2013AA01A213, Chinese
Universities Scientific Fund under grant No. 2013TS094, Research Fund
for the Doctoral Program of MOE under grant No. 20110142130005. This
work was also supported by the U.S. Department of Energy, Office of
Science, under Contract DE-AC02-06CH11357.
NR 33
TC 2
Z9 2
U1 1
U2 12
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1045-9219
EI 1558-2183
J9 IEEE T PARALL DISTR
JI IEEE Trans. Parallel Distrib. Syst.
PD OCT
PY 2015
VL 26
IS 10
BP 2890
EP 2902
DI 10.1109/TPDS.2014.2359017
PG 13
WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA CT4QJ
UT WOS:000362791400021
ER
PT J
AU Hult, EL
Willem, H
Price, PN
Hotchi, T
Russell, ML
Singer, BC
AF Hult, E. L.
Willem, H.
Price, P. N.
Hotchi, T.
Russell, M. L.
Singer, B. C.
TI Formaldehyde and acetaldehyde exposure mitigation in US residences:
in-home measurements of ventilation control and source control
SO INDOOR AIR
LA English
DT Article
DE Formaldehyde; Acetaldehyde; Indoor air quality; LEED; Indoor airPLUS;
VOC
ID BUILDING-MATERIALS; EMISSION RATES; AIR; TEMPERATURE; MODEL; POLLUTANTS;
PRODUCTS; HUMIDITY; IMPACT; BOARD
AB Measurements were taken in new US residences to assess the extent to which ventilation and source control can mitigate formaldehyde exposure. Increasing ventilation consistently lowered indoor formaldehyde concentrations. However, at a reference air exchange rate of 0.35 h(-1), increasing ventilation was up to 60% less effective than would be predicted if the emission rate were constant. This is consistent with formaldehyde emission rates decreasing as air concentrations increase, as observed in chamber studies. In contrast, measurements suggest acetaldehyde emission was independent of ventilation rate. To evaluate the effectiveness of source control, formaldehyde concentrations were measured in Leadership in Energy and Environmental Design (LEED)-certified/Indoor airPLUS homes constructed with materials certified to have low emission rates of volatile organic compounds (VOC). At a reference air exchange rate of 0.35 h(-1), and adjusting for home age, temperature and relative humidity, formaldehyde concentrations in homes built with low-VOC materials were 42% lower on average than in reference new homes with conventional building materials. Without adjustment, concentrations were 27% lower in the low-VOC homes. The mean and standard deviation of formaldehyde concentration was 33 mu g/m(3) and 22 mu g/m(3) for low-VOC homes and 45 mu g/m(3) and 30 mu g/m(3) for conventional.
C1 [Hult, E. L.; Willem, H.; Price, P. N.; Hotchi, T.; Russell, M. L.; Singer, B. C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
RP Hult, EL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, 1 Cyclotron Rd Mail Stop 90R3074, Berkeley, CA 94720 USA.
EM hult@alum.mit.edu
FU Building America Program under the Assistant Secretary for Energy
Efficiency and Renewable Energy, Building Technologies Program, of the
US Department of Energy [DE-AC02-05CH11231]; US Dept. of Housing and
Urban Development Office of Healthy Homes and Lead Hazard Control
[I-PHI-01070]; US Environmental Protection Agency Indoor Environments
Division [DW-89-92322201-0]; California Energy Commission [500-08-061]
FX This work was supported by the Building America Program under the
Assistant Secretary for Energy Efficiency and Renewable Energy, Building
Technologies Program, of the US Department of Energy, under Contract No.
DE-AC02-05CH11231; by the US Dept. of Housing and Urban Development
Office of Healthy Homes and Lead Hazard Control through Interagency
Agreement I-PHI-01070; by the US Environmental Protection Agency Indoor
Environments Division through Interagency Agreement DW-89-92322201-0;
and by the California Energy Commission through Contract 500-08-061.
NR 44
TC 5
Z9 5
U1 7
U2 27
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0905-6947
EI 1600-0668
J9 INDOOR AIR
JI Indoor Air
PD OCT
PY 2015
VL 25
IS 5
BP 523
EP 535
DI 10.1111/ina.12160
PG 13
WC Construction & Building Technology; Engineering, Environmental; Public,
Environmental & Occupational Health
SC Construction & Building Technology; Engineering; Public, Environmental &
Occupational Health
GA CT5KH
UT WOS:000362848000007
PM 25252109
ER
PT J
AU Schreiber, S
Landau, SM
Fero, A
Schreiber, F
Jagust, WJ
AF Schreiber, Stefanie
Landau, Susan M.
Fero, Allison
Schreiber, Frank
Jagust, William J.
CA Alzheimer's Dis Neuroimaging Initi
TI Comparison of Visual and Quantitative Florbetapir F 18 Positron Emission
Tomography Analysis in Predicting Mild Cognitive Impairment Outcomes
SO JAMA NEUROLOGY
LA English
DT Article
ID ALZHEIMERS-DISEASE; AMYLOID-BETA; PIB-PET; A-BETA; BIOMARKERS;
MULTICENTER; DECLINE; CONCORDANCE; DEPOSITION; CONVERSION
AB IMPORTANCE The applicability of beta-amyloid peptide (A beta) positron emission tomography (PET) as a biomarker in clinical settings to aid in selection of individuals at preclinical and prodromal Alzheimer disease (AD) will depend on the practicality of PET image analysis. In this context, visual-based A beta PET assessment seems to be the most feasible approach.
OBJECTIVES To determine the agreement between visual and quantitative A beta PET analysis and to assess the ability of both techniques to predict conversion from mild cognitive impairment (MCI) to AD.
DESIGN, SETTING, AND PARTICIPANTS A longitudinal study was conducted among the Alzheimer's Disease Neuroimaging Initiative (ADNI) sites in the United States and Canada during a 1.6-year mean follow-up period. The study was performed from September 21, 2010, to August 11, 2014; data analysis was conducted from September 21, 2014, to May 26, 2015. Participants included 401 individuals with MCI receiving care at a specialty clinic (219 [54.6%] men; mean [SD] age, 71.6 [7.5] years; 16.2 [2.7] years of education). All participants were studied with florbetapir F 18 [F-18] PET. The standardized uptake value ratio (SUVR) positivity threshold was 1.11, and one reader rated all images, with a subset of 125 scans rated by a second reader.
MAIN OUTCOMES AND MEASURES Sensitivity and specificity of positive and negative [F-18] florbetapir PET categorization, which was estimated with cerebrospinal fluid A beta 1-42 as the reference standard. Risk for conversion to AD was assessed using Cox proportional hazards regression models.
RESULTS The frequency of A beta positivity was 48.9%(196 patients; visual analysis), 55.1%(221 patients; SUVR), and 64.8%(166 patients; cerebrospinal fluid), yielding substantial agreement between visual and SUVR data (kappa = 0.74) and between all methods (Fleiss kappa = 0.71). For approximately 10% of the 401 participants in whom visual and SUVR data disagreed, interrater reliability was moderate (kappa = 0.44), but it was very high if visual and quantitative results agreed (kappa = 0.92). Visual analysis had a lower sensitivity (79% vs 85%) but higher specificity (96% vs 90%), respectively, compared with SUVR. The conversion rate was 15.2% within a mean of 1.6 years, and a positive [F-18] florbetapir baseline scan was associated with a 6.91-fold (SUVR) or 11.38-fold (visual) greater hazard for AD conversion, which changed only modestly after covariate adjustment for apolipoprotein epsilon 4, concurrent fludeoxyglucose F 18 PET scan, and baseline cognitive status.
CONCLUSIONS AND RELEVANCE Visual and SUVR A beta PET analysis may be equivalently used to determine A beta status for individuals with MCI participating in clinical trials, and both approaches add significant value for clinical course prognostication.
C1 [Schreiber, Stefanie; Landau, Susan M.; Fero, Allison; Jagust, William J.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA.
[Schreiber, Stefanie] Univ Magdeburg, Dept Neurol, D-39106 Magdeburg, Germany.
[Schreiber, Stefanie] German Ctr Neurodegenerat Dis, Magdeburg, Germany.
[Landau, Susan M.; Fero, Allison; Jagust, William J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
[Schreiber, Frank] Tech Univ Carolo Wilhelmina Braunschweig, Inst Control Engn, D-38106 Braunschweig, Germany.
RP Schreiber, S (reprint author), Univ Calif Berkeley, Helen Wills Neurosci Inst, 132 Barker Hall,Mail Code 3190, Berkeley, CA 94720 USA.
EM stefanie.schreiber@med.ovgu.de
OI Preda, Adrian /0000-0003-3373-2438
FU Alzheimer's Disease Neuroimaging Initiative (ADNI) (National Institutes
of Health) [U01 AG024904]; Department of Defense ADNI
[W81XWH-12-2-0012]; National Institute on Aging; National Institute of
Biomedical Imaging and Bioengineering; Alzheimer's Association;
Alzheimer's Drug Discovery Foundation; Araclon Biotech; BioClinica Inc;
Biogen Idec Inc; Bristol-Myers Squibb Company; Eisai Inc; Elan
Pharmaceuticals Inc; Eli Lilly and Company; EuroImmun; F. Hoffmann-La
Roche Ltd; Canadian Institutes of Health Research; German Research
Foundation [SCHR 1418/3-1]
FX Data collection and sharing for this project was funded by the
Alzheimer's Disease Neuroimaging Initiative (ADNI) (National Institutes
of Health grant U01 AG024904) and Department of Defense ADNI (award
number W81XWH-12-2-0012). ADNI is funded by the National Institute on
Aging and the National Institute of Biomedical Imaging and
Bioengineering and through generous contributions from the following
organizations: Alzheimer's Association, Alzheimer's Drug Discovery
Foundation, Araclon Biotech, BioClinica Inc, Biogen Idec Inc,
Bristol-Myers Squibb Company, Eisai Inc, Elan Pharmaceuticals Inc, Eli
Lilly and Company, EuroImmun, F. Hoffmann-La Roche Ltd and its
affiliated company Genentech Inc, Fujirebio, GE Healthcare, IXICO Ltd,
Janssen Alzheimer Immunotherapy Research & Development LLC, Johnson &
Johnson Pharmaceutical Research & Development LLC, Medpace Inc, Merck &
Co Inc, Meso Scale Diagnostics LLC, NeuroRx Research, Neurotrack
Technologies, Novartis Pharmaceuticals Corporation, Pfizer Inc, Piramal
Imaging, Servier, Synarc Inc, and Takeda Pharmaceutical Company. The
Canadian Institutes of Health Research is providing funds to support
ADNI clinical sites in Canada. Private sector contributions are
facilitated by the Foundation for the National Institutes of Health
(http://www.fnih.org). The grantee organization is the Northern
California Institute for Research and Education, and the study is
coordinated by the Alzheimer's Disease Cooperative Study at the
University of California, San Diego. ADNI data are disseminated by the
Laboratory for Neuro Imaging at the University of Southern California.
This research was also supported by the German Research Foundation grant
SCHR 1418/3-1.
NR 38
TC 4
Z9 5
U1 0
U2 7
PU AMER MEDICAL ASSOC
PI CHICAGO
PA 330 N WABASH AVE, STE 39300, CHICAGO, IL 60611-5885 USA
SN 2168-6149
EI 2168-6157
J9 JAMA NEUROL
JI JAMA Neurol.
PD OCT
PY 2015
VL 72
IS 10
BP 1183
EP 1190
DI 10.1001/jamaneurol.2015.1633
PG 8
WC Clinical Neurology
SC Neurosciences & Neurology
GA CT6ZQ
UT WOS:000362963000015
PM 26280102
ER
PT J
AU Chatterjee, S
Campbell, EL
Neiner, D
Pence, NK
Robinson, TA
Levitskaia, TG
AF Chatterjee, Sayandev
Campbell, Emily L.
Neiner, Doinita
Pence, Natasha K.
Robinson, Troy A.
Levitskaia, Tatiana G.
TI Aqueous Binary Lanthanide(III) Nitrate Ln(NO3)(3) Electrolytes
Revisited: Extended Pitzer and Bromley Treatments
SO JOURNAL OF CHEMICAL AND ENGINEERING DATA
LA English
DT Article
ID MEAN SPHERICAL APPROXIMATION; RARE-EARTH CHLORIDES; ISOPIESTIC
DETERMINATION; ACTIVITY-COEFFICIENTS; THERMODYNAMIC PROPERTIES; OSMOTIC
COEFFICIENTS; 25-DEGREES-C; MODEL; REPRESENTATION; EQUATIONS
AB To date, only limited thermodynamic models describing activity coefficients of the aqueous solutions of lanthanide ions are available. This work expands the existing experimental osmotic coefficient data obtained by classical isopiestic technique for the aqueous binary trivalent lanthanide nitrate Ln(NO3)(3) solutions using a combination of water activity and vapor pressure osmometry measurements. The combined osmotic coefficient database for each aqueous lanthanide nitrate at 25 degrees C, consisting of literature available data as well as data obtained in this work, was used to test the validity of Pitzer and Bromley thermodynamic models for the accurate prediction of mean molal activity coefficients of the Ln(NO3)(3) solutions in wide concentration ranges. The new and improved Pitzer and Bromley parameters were calculated. It was established that the Ln(NO3)(3) activity coefficients in the solutions with ionic strength up to 12 mol kg(-1) can be estimated by both Pitzer and single-parameter Bromley models, even though the latter provides for more accurate prediction, particularly in the lower ionic strength regime (up to 6 mol kg(-1)). On the other hand, for the concentrated solutions, the extended three-parameter Bromley model can be employed to predict the Ln(NO3)(3) activity coefficients with remarkable accuracy. The accuracy of the extended Bromley model in predicting the activity coefficients was greater than similar to 95 % and similar to 90 % for all solutions with the ionic strength up to 12 mol kg(-1) and 20 mol kg(-1), respectively. This is the first time that the activity coefficients for concentrated lanthanide solutions have been predicted with such a remarkable accuracy.
C1 [Chatterjee, Sayandev; Campbell, Emily L.; Neiner, Doinita; Pence, Natasha K.; Robinson, Troy A.; Levitskaia, Tatiana G.] Pacific NW Natl Lab, Richland, WA 99354 USA.
RP Levitskaia, TG (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA.
EM Tatiana.Levistkaia@pnnl.gov
OI Chatterjee, Sayandev/0000-0003-2218-5635
FU Separations and Waste Forms Campaign within the U.S. Department of
Energy's Fuel Cycle Research and Development Program; U.S. Department of
Energy [DE-AC05-76RL01830]
FX This research was supported by the Separations and Waste Forms Campaign
within the U.S. Department of Energy's Fuel Cycle Research and
Development Program and conducted at the Pacific Northwest National
Laboratory, operated by Battelle for the U.S. Department of Energy under
Contract DE-AC05-76RL01830.
NR 41
TC 3
Z9 3
U1 2
U2 11
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0021-9568
J9 J CHEM ENG DATA
JI J. Chem. Eng. Data
PD OCT
PY 2015
VL 60
IS 10
BP 2974
EP 2988
DI 10.1021/acs.jced.5b00392
PG 15
WC Thermodynamics; Chemistry, Multidisciplinary; Engineering, Chemical
SC Thermodynamics; Chemistry; Engineering
GA CT3IV
UT WOS:000362701300018
ER
PT J
AU Goldman, N
Fried, LE
Koziol, L
AF Goldman, Nir
Fried, Laurence E.
Koziol, Lucas
TI Using Force-Matched Potentials To Improve the Accuracy of Density
Functional Tight Binding for Reactive Conditions
SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION
LA English
DT Article
ID INITIO MOLECULAR-DYNAMICS; GENERALIZED GRADIENT APPROXIMATION; EXTREME
THERMODYNAMIC CONDITIONS; AUGMENTED-WAVE METHOD; EXTENDED BASIS-SET;
3-BODY REPULSION; CARBON; MODEL; DFTB; PSEUDOPOTENTIALS
AB We show that force matching can be used to determine accurate empirical repulsive energies for the density functional tight binding method (DFTB) for chemical reactivity in condensed phases. Our approach yields improved results over previous parametrizations for molten liquid carbon and a phenolic polymer under combustion conditions. The method we present here allows for predictions of chemical properties over longer time periods than accessible via Kohn-Sham density functional theory while retaining its accuracy.
C1 [Goldman, Nir; Fried, Laurence E.; Koziol, Lucas] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA.
RP Goldman, N (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA.
EM ngoldman@llnl.gov
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]
FX This work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under Contract
DE-AC52-07NA27344.
NR 34
TC 1
Z9 1
U1 8
U2 17
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 OCT
PY 2015
VL 11
IS 10
BP 4530
EP 4535
DI 10.1021/acs.jctc.5b00742
PG 6
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA CT6KK
UT WOS:000362921700002
PM 26574245
ER
PT J
AU Mniszewski, SM
Cawkwell, MJ
Wall, ME
Mohd-Yusof, J
Bock, N
Germann, TC
Niklasson, AMN
AF Mniszewski, S. M.
Cawkwell, M. J.
Wall, M. E.
Mohd-Yusof, J.
Bock, N.
Germann, T. C.
Niklasson, A. M. N.
TI Efficient Parallel Linear Scaling Construction of the Density Matrix for
Born-Oppenheimer Molecular Dynamics
SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION
LA English
DT Article
ID ELECTRONIC-STRUCTURE CALCULATIONS; TIGHT-BINDING METHOD;
CONSISTENT-FIELD THEORY; FUNCTIONAL THEORY; PURIFICATION;
MULTIPLICATION; IMPLEMENTATION; SIMULATIONS; EXPANSIONS; PROTEIN
AB We present an algorithm for the calculation of the density matrix that for insulators scales linearly with system size and parallelizes efficiently on multicore, shared memory platforms with small and controllable numerical errors. The algorithm is based on an implementation of the second-order spectral projection (SP2) algorithm [Niklasson, A. M. N. Phys. Rev. B 2002, 66, 155115] in sparse matrix algebra with the ELLPACK-R data format. We illustrate the performance of the algorithm within self-consistent tight binding theory by total energy calculations of gas phase poly(ethylene) molecules and periodic liquid water systems containing up to 15,000 atoms on up to 16 CPU cores. We consider algorithm-specific performance aspects, such as local vs nonlocal memory access and the degree of matrix sparsity. Comparisons to sparse matrix algebra implementations using off-the-shelf libraries on multicore CPUs, graphics processing units (GPUs), and the Intel many integrated core (MIC) architecture are also presented. The accuracy and stability of the algorithm are illustrated with long duration Born Oppenheimer molecular dynamics simulations of 1000 water molecules and a 303 atom Trp cage protein solvated by 2682 water molecules.
C1 [Mniszewski, S. M.; Wall, M. E.; Mohd-Yusof, J.] Los Alamos Natl Lab, Comp Computat & Stat Sci Div, Los Alamos, NM 87545 USA.
[Cawkwell, M. J.; Bock, N.; Germann, T. C.; Niklasson, A. M. N.] Los Alamos Natl Lab, Theoret Div, Los Alamos, NM 87545 USA.
RP Mniszewski, SM (reprint author), Los Alamos Natl Lab, Comp Computat & Stat Sci Div, POB 1663, Los Alamos, NM 87545 USA.
EM smm@lanl.gov; cawkwell@lanl.gov; amn@lanl.gov
OI Alexandrov, Ludmil/0000-0003-3596-4515; Mohd Yusof,
Jamaludin/0000-0002-9844-689X; Mniszewski, Susan/0000-0002-0077-0537;
Germann, Timothy/0000-0002-6813-238X; Cawkwell, Marc/0000-0002-8919-3368
FU Laboratory Directed Research and Development (LDRD) program of Los
Alamos National Laboratory; Department of Energy [DE-AC52-06NA25396]
FX This work was supported by the Laboratory Directed Research and
Development (LDRD) program of Los Alamos National Laboratory. This
research used resources provided by the Los Alamos National Laboratory
Institutional Computing Program, which is supported by the U.S.
Department of Energy National Nuclear Security Administration. This
research has been supported at Los Alamos National Laboratory under the
Department of Energy contract DE-AC52-06NA25396.
NR 66
TC 3
Z9 3
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 OCT
PY 2015
VL 11
IS 10
BP 4644
EP 4654
DI 10.1021/acs.jctc.5b00552
PG 11
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA CT6KK
UT WOS:000362921700014
PM 26574255
ER
PT J
AU Shi, ZQ
Fan, D
Johnson, RL
Tratnyek, PG
Nurmi, JT
Wu, YX
Williams, KH
AF Shi, Zhenqing
Fan, Dimin
Johnson, Richard L.
Tratnyek, Paul G.
Nurmi, James T.
Wu, Yuxin
Williams, Kenneth H.
TI Methods for characterizing the fate and effects of nano zerovalent iron
during groundwater remediation
SO JOURNAL OF CONTAMINANT HYDROLOGY
LA English
DT Review
DE Groundwater; Remediation; Zerovalent iron; Fate; Effects;
Characterization
ID ZERO-VALENT IRON; SATURATED POROUS-MEDIA; MODIFIED FE-0 NANOPARTICLES;
FREQUENCY ELECTRICAL-PROPERTIES; RAY PHOTOELECTRON-SPECTROSCOPY;
CORE-SHELL STRUCTURE; SAND COLUMNS; CARBOXYMETHYL CELLULOSE; PARTICLE
CONCENTRATION; CALCITE PRECIPITATION
AB The emplacement of nano zerovalent iron (nZVI) for groundwater remediation is usually monitored by common measurements such as pH, total iron content, and oxidation reduction potential (ORP) by potentiometry. However, the interpretation of such measurements can be misleading because of the complex interactions between the target materials (e.g., suspensions of highly reactive and variably aggregated nanoparticles) and aquifer materials (sediments and groundwater), and multiple complications related to sampling and detection methods. This paper reviews current practice for both direct and indirect characterizations of nZVI during groundwater remediation and explores prospects for improving these methods and/or refining the interpretation of these measurements. To support our recommendations, results are presented based on laboratory batch and column studies of nZVI detection using chemical, electrochemical, and geophysical methods. Chemical redox probes appear to be a promising new method for specifically detecting nZVI, based on laboratory tests. The potentiometric and voltammetric detections of iron nanoparticles, using traditional stationary disc electrodes, rotating disc electrodes, and flow-through cell disc electrodes, provide insight for interpreting ORP measurements, which are affected by solution chemistry conditions and the interactions between iron nanoparticles and the electrode surface. The geophysical methods used for characterizing nZVI during groundwater remediation are reviewed and its application for nZVI detection is assessed with results of laboratory column experiments. (C) 2015 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license.
C1 [Shi, Zhenqing] S China Univ Technol, Sch Environm & Energy, Guangzhou 510006, Guangdong, Peoples R China.
[Fan, Dimin; Johnson, Richard L.; Tratnyek, Paul G.] Oregon Hlth & Sci Univ, Inst Environm Hlth, Portland, OR 97239 USA.
[Nurmi, James T.] Clackamas Community Coll, Dept Engn Sci, Oregon City, OR 97045 USA.
[Wu, Yuxin; Williams, Kenneth H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Shi, ZQ (reprint author), S China Univ Technol, Sch Environm & Energy, Guangzhou 510006, Guangdong, Peoples R China.
EM zqshi@scut.edu.cn; tratnyek@ohsu.edu
RI Shi, Zhenqing /F-9212-2016; Williams, Kenneth/O-5181-2014; Wu,
Yuxin/G-1630-2012; fan, dimin/D-3200-2017
OI Williams, Kenneth/0000-0002-3568-1155; Wu, Yuxin/0000-0002-6953-0179;
FU Strategic Environmental Research and Development Program (SERDP)
[ER-1485]
FX A portion of this work was funded by the Strategic Environmental
Research and Development Program (SERDP) as part of ER-1485 (Fundamental
Study of the Delivery of Nanoiron to DNAPL Source Zones in Naturally
Heterogeneous Field Systems). This report has not been subject to review
by SERDP and therefore does not necessarily reflect their views and no
official endorsement should be inferred.
NR 97
TC 9
Z9 9
U1 30
U2 92
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0169-7722
EI 1873-6009
J9 J CONTAM HYDROL
JI J. Contam. Hydrol.
PD OCT
PY 2015
VL 181
SI SI
BP 17
EP 35
DI 10.1016/j.jconhyd.2015.03.004
PG 19
WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources
SC Environmental Sciences & Ecology; Geology; Water Resources
GA CT6JF
UT WOS:000362918600003
PM 25841976
ER
PT J
AU Wagner, GL
Kinkead, SA
Paffett, MT
Rector, KD
Scott, BL
Tamasi, AL
Wilkerson, MP
AF Wagner, Gregory L.
Kinkead, Scott A.
Paffett, Mark T.
Rector, Kirk D.
Scott, Brian L.
Tamasi, Alison L.
Wilkerson, Marianne P.
TI Morphologic and chemical characterization of products from hydrolysis of
UF6
SO JOURNAL OF FLUORINE CHEMISTRY
LA English
DT Article
DE Hydrolysis; Micro-Fourier transform infrared spectroscopy; Powder X-ray
diffraction; Scanning electron microscopy; Uranium hexafluoride; UOF4
ID MICRO-RAMAN SPECTROSCOPY; URANIUM HEXAFLUORIDE; GAS-PHASE; ATMOSPHERIC
HYDROLYSIS; THEORETICAL MECHANISM; URANYL FLUORIDE; PARTICLES;
HYDRATION; HUMIDITY; SPECTRA
AB Characterization of the chemical speciation and morphologies of products formed from hydrolysis of uranium hexafluoride (UF6) is important for predicting dispersion and contamination of released material, or health consequences from inhalation of air-borne particles. We report products of hydrolysis of UF6 in which the quantity of water was insufficient for complete formation of UO2F2. Material was deposited onto carbon tape and aluminum. Scanning electron microscopy was employed to characterize textures and particle sizes, and powder X-ray diffraction analysis and mu-Fourier transform infrared absorption spectroscopy were used to characterize chemical speciation. These results revealed that the ratio of H2O to UF6, depository substrate composition, and storage conditions must be considered when evaluating chemical speciation, morphologic texture and particles size of UF6 hydrolysis products. LA-UR-15-23846. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Wagner, Gregory L.; Kinkead, Scott A.; Paffett, Mark T.; Rector, Kirk D.; Scott, Brian L.; Tamasi, Alison L.; Wilkerson, Marianne P.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Tamasi, Alison L.] Univ Missouri, Dept Chem, Columbia, MO 65211 USA.
RP Wilkerson, MP (reprint author), POB 1663,Mail Stop J-514, Los Alamos, NM 87545 USA.
EM mpw@lanl.gov
RI Scott, Brian/D-8995-2017;
OI Scott, Brian/0000-0003-0468-5396; Tamasi, Alison/0000-0003-1274-8465;
Wagner, Gregory/0000-0002-7852-7529; Wilkerson,
Marianne/0000-0001-8540-0465
FU LANL Laboratory Directed Research and Development Program Office; U.S.
Department of Homeland Security [2012-DN-130-NR0001-02]; Seaborg
Institute; University of Missouri-Columbia; National Nuclear Security
Administration for the U.S. Department of Energy [DE-AC52-06NA25396]
FX This work was supported by the LANL Laboratory Directed Research and
Development Program Office. A.L.T. would like to thank the U.S.
Department of Homeland Security under Grant Award Number,
2012-DN-130-NR0001-02, the Seaborg Institute, and the University of
Missouri-Columbia for providing funding for her to contribute to this
work. The views and conclusions contained in this document are those of
the authors and should not be interpreted as necessarily representing
the official policies, either expressed or implied, of the U.S.
Department of Homeland Security or the Government. The authors would
like to thank Blake P. Nolen and Pallas A. Papin for useful discussions.
Los Alamos National Laboratory is operated by Los Alamos National
Security, LLC, for the National Nuclear Security Administration for the
U.S. Department of Energy (contract DE-AC52-06NA25396).
NR 28
TC 2
Z9 2
U1 4
U2 15
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0022-1139
EI 1873-3328
J9 J FLUORINE CHEM
JI J. Fluor. Chem.
PD OCT
PY 2015
VL 178
BP 107
EP 114
DI 10.1016/j.jfluchem.2015.07.004
PG 8
WC Chemistry, Inorganic & Nuclear; Chemistry, Organic
SC Chemistry
GA CT6NL
UT WOS:000362929600017
ER
PT J
AU Koehl, MA
Rundberg, RS
Braley, JC
AF Koehl, M. A.
Rundberg, R. S.
Braley, J. C.
TI Measured neutron flux parameters in the USGS TRIGA MARK I reactor
SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
LA English
DT Article
DE Westcott convention; TRIGA reactor; Neutron spectrum characterization;
SAND-II-SNL; Spectrum unfolding
ID UNIVERSAL CURVE; SPHERES; WIRES; FOILS
AB Using the Westcott convention, the Westcott flux, phi(w); modified spectral index, r root T-n/T-0; neutron temperature, T-n; and gold-based cadmium ratios were determined for various sampling positions in the U.S. Geological Survey (USGS) Training, Research, Isotopes, General Atomic (TRIGA) Mark I reactor. Westcott parameters were determined by a bare multi-monitor method. Thermal-neutron temperature measurements were made using lutetium foils. The differential neutron energy spectrum measurement was obtained using the computer iterative code SAND-II-SNL. Measurement of the neutron spectrum has resulted in a better knowledge of the reactor core and will improve predictive radioisotope production calculations necessary for neutron activation analysis and medical isotope production.
C1 [Koehl, M. A.; Braley, J. C.] Colorado Sch Mines, Golden, CO 80401 USA.
[Rundberg, R. S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Braley, JC (reprint author), Colorado Sch Mines, 1500 Illinois St, Golden, CO 80401 USA.
EM jbraley@mines.edu
FU Colorado School of Mines; NRC Faculty Development Grant program
[NRC-HQ-11-G-38-0062]
FX y The authors would like to express their sincere thanks to the reactor
staff of the GSTR for their support, funding from the Colorado School of
Mines, and the NRC Faculty Development Grant program, Grant Number
NRC-HQ-11-G-38-0062.
NR 18
TC 2
Z9 2
U1 1
U2 7
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0236-5731
EI 1588-2780
J9 J RADIOANAL NUCL CH
JI J. Radioanal. Nucl. Chem.
PD OCT
PY 2015
VL 306
IS 1
BP 31
EP 38
DI 10.1007/s10967-015-4058-9
PG 8
WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science &
Technology
SC Chemistry; Nuclear Science & Technology
GA CT6XR
UT WOS:000362957300004
ER
PT J
AU Finn, EC
Metz, L
Greenwood, L
Pierson, B
Wittman, R
Friese, J
Kephart, R
AF Finn, Erin C.
Metz, Lori
Greenwood, Larry
Pierson, Bruce
Wittman, Richard
Friese, Judah
Kephart, Rosara
TI Cumulative fission yields of short-lived isotopes under
natural-abundance-boron-carbide-moderated neutron spectrum
SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
LA English
DT Article
DE Short-lived fission products; Cumulative fission product yield; Neutron
spectrum; Boron carbide; TRIGA pulse
ID SCIENCE
AB This work expands the availability of energy-resolved short-lived cumulative fission product yields for U-235,U-238,U-233, Pu-239, and Np-237 subjected to a 2$ pulse in the Washington State University TRIGA reactor. A boron carbide capsule tailored the neutron spectrum, creating a spectrum with an average energy of 700 keV, similar to fast reactor spectra and approaching that of U-235 fission. Unique gamma spectra were collected from 4 min to 1 week after fission using high purity germanium detectors. Measured cumulative fission product yields generally agree well with published fast pooled fission product yield values from ENDF/B-VII, though a bias was noted for Pu-239.
C1 [Finn, Erin C.; Metz, Lori; Greenwood, Larry; Wittman, Richard; Friese, Judah; Kephart, Rosara] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Pierson, Bruce] Univ Michigan, Ann Arbor, MI 48109 USA.
RP Finn, EC (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
EM erin.finn@pnl.gov
FU Office of Defense Nuclear Nonproliferation Research and Development
within U.S. Department of Energy's National Nuclear Security
Administration; U.S. Department of Energy [DE-AC05-76RLO1830]
FX The work was funded by the Office of Defense Nuclear Nonproliferation
Research and Development within the U.S. Department of Energy's National
Nuclear Security Administration and by Pacific Northwest National
Laboratory which is operated by Battelle Memorial Institute for the U.S.
Department of Energy under contract DE-AC05-76RLO1830. The team at PNNL
gratefully acknowledges Jessica Drader and the staff at the Washington
State University Dodgen Research Facility and research reactor for their
assistance in the irradiations of these samples: CC Hines, MD King, and
D Wall. This document is PNNL-SA-105467.
NR 14
TC 1
Z9 1
U1 2
U2 5
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0236-5731
EI 1588-2780
J9 J RADIOANAL NUCL CH
JI J. Radioanal. Nucl. Chem.
PD OCT
PY 2015
VL 306
IS 1
BP 79
EP 91
DI 10.1007/s10967-015-4085-6
PG 13
WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science &
Technology
SC Chemistry; Nuclear Science & Technology
GA CT6XR
UT WOS:000362957300009
ER
PT J
AU Mowry, CD
Brady, PV
Garino, TJ
Nenoff, TM
AF Mowry, Curtis D.
Brady, Patrick V.
Garino, Terry J.
Nenoff, Tina M.
TI Development and Durability Testing of a Low-Temperature Sintering
Bi-Si-Zn Oxide Glass Composite Material (GCM) I-129 Waste Form
SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; CHALCOGEN-BASED AEROGELS; RADIOACTIVE IODINE;
BOROSILICATE GLASS; CAPTURE; PRODUCT; IMMOBILIZATION; CONFINEMENT;
REMEDIATION; DISSOLUTION
AB The capture and safe storage of radiological iodine (I-129) from nuclear fuel reprocessing is of concern due to its long half-life and potential mobility in the environment. The development of durable waste forms in which to store captured iodine requires materials that are both compatible with the iodine capture phases and durable to repository environments. To that end, Sandia is developing a low-temperature sintering Bi-Si-Zn oxide glass composite material (GCM) waste form and herein presents results of durability testing. Furthermore, durability studies were extended to both the occluded iodine capture material Ag-Zeolite (Mordenite, MOR) as well as the GCM, synthesized with compositional variations including: amount of Ag flake added, AgI-MOR particle size in the GCM, and mass loading of I within the AgI-MOR. Product consistency test (PCT-B), chemical durability (MCC-1) tests, and single-pass flow-through (SPFT) tests, were performed on both the individual components of the GCM and the completed GCMs. Durability tests indicate low GCM dissolution rates (<10(-3)g/m(2)d) across wide variable ranges including: pH, AgI-MOR loading, I loading, and AgI-MOR particle size. Results indicate that the Bi-Si-Zn oxide glass matrix sharply limits the release of iodine from the otherwise relatively fast degrading AgI-MOR getter material. Furthermore, the formation of an amorphous AgI phase during sintering of the GCM results in the limitation of iodine release during waste form degradation. Durability of GCM and release rates approximate those of established nuclear waste glasses, or analogues such as basaltic glass. This suggests that the Bi-Si-Zn GCM is a viable candidate as a repository iodine waste form.
C1 [Mowry, Curtis D.; Brady, Patrick V.; Garino, Terry J.; Nenoff, Tina M.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Nenoff, TM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM tmnenof@sandia.gov
FU U.S. DOE/NE/FCRD-SWG; U.S. DOE's NNSA [DE-AC04-94AL85000]
FX We greatly appreciate the help of Jeff Reich and David X. Rademacher
(SNL) for materials characterization work, and Dr. R. T. Jubin and S.
Bruffey (ORNL) for providing the AgI-MOR samples. This research was
supported by the U.S. DOE/NE/FCRD-SWG. Sandia National Laboratories is a
multiprogram laboratory managed and operated by Sandia Corp., a wholly
owned subsidiary of Lockheed Martin Corp., for the U.S. DOE's NNSA,
under Contract No. DE-AC04-94AL85000.
NR 51
TC 1
Z9 1
U1 5
U2 11
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 OCT
PY 2015
VL 98
IS 10
BP 3094
EP 3104
DI 10.1111/jace.13751
PG 11
WC Materials Science, Ceramics
SC Materials Science
GA CT1YK
UT WOS:000362599000020
ER
PT J
AU Xu, K
Hrma, P
Rice, J
Riley, BJ
Schweiger, MJ
Crum, JV
AF Xu, Kai
Hrma, Pavel
Rice, Jarrett
Riley, Brian J.
Schweiger, Michael J.
Crum, Jarrod V.
TI Melter Feed Reactions at T700 degrees C for Nuclear Waste Vitrification
SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY
LA English
DT Article
ID COLD-CAP REACTIONS; SILICATE GLASS BATCHES; X-RAY-DIFFRACTION; MELTING
ACCELERANTS; BOROSILICATE GLASS; THERMAL-ANALYSIS; DISSOLUTION;
CONVERSION; PARTICLES; CHEMISTRY
AB To understand feed-to-glass conversion for the vitrification of nuclear waste, we investigated batch reactions and phase transitions in a simulated nuclear waste glass melter feed heated at 5K/min up to 700 degrees C using optical microscopy, scanning electron microscopy with energy-dispersive X-ray spectroscopy, and X-ray diffraction. To determine the content and composition of leachable phases, we performed leaching tests; the leachates were analyzed by inductively coupled plasma atomic emission spectroscopy. By 400 degrees C, gibbsite and sodium borates lost water and converted to amorphous phase, whereas other metallic hydroxides dehydrated to oxides. Between 400 degrees C and 700 degrees C, carbonates decomposed before 500 degrees C; amorphous aluminum oxide and calcium oxide reacted with the sodium borate and formed the more durable amorphous borate phase along with intermediate crystalline products; above 500 degrees C, quartz began to dissolve, and hematite started to convert to trevorite.
C1 [Xu, Kai; Hrma, Pavel; Rice, Jarrett; Riley, Brian J.; Schweiger, Michael J.; Crum, Jarrod V.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Xu, K (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM kai.xu@pnnl.gov
RI Xu, Kai/B-8001-2010
OI Xu, Kai/0000-0003-3572-3455
FU Department of Energy's Waste Treatment and Immobilization Plant Federal
Project Office; U.S. Department of Energy [DE-AC05-76RL01830]
FX This work was supported by the Department of Energy's Waste Treatment
and Immobilization Plant Federal Project Office under the direction of
Dr. Albert A. Kruger. The authors are grateful to Drs. Dong-Sang Kim,
Jaehun Chun, and Tongan Jin for insightful discussions. Pacific
Northwest National Laboratory is operated by Battelle Memorial Institute
for the U.S. Department of Energy under contract DE-AC05-76RL01830.
NR 40
TC 3
Z9 4
U1 3
U2 7
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 OCT
PY 2015
VL 98
IS 10
BP 3105
EP 3111
DI 10.1111/jace.13766
PG 7
WC Materials Science, Ceramics
SC Materials Science
GA CT1YK
UT WOS:000362599000021
ER
PT J
AU Pokorny, R
Hilliard, ZJ
Dixon, DR
Schweiger, MJ
Guillen, DP
Kruger, AA
Hrma, P
AF Pokorny, Richard
Hilliard, Zachary J.
Dixon, Derek R.
Schweiger, Michael J.
Guillen, Donna P.
Kruger, Albert A.
Hrma, Pavel
TI One-Dimensional Cold Cap Model for Melters with Bubblers
SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY
LA English
DT Article
ID THERMAL-DIFFUSIVITY; HEAT-CONDUCTIVITY; GLASS; BATCH; CONVERSION; FEED;
FLOW
AB The rate of glass production during vitrification in an all-electrical melter greatly impacts the cost and schedule of nuclear waste treatment and immobilization. The feed is charged to the melter on the top of the molten glass, where it forms a layer of reacting and melting material, called the cold cap. During the final stages of the batch-to-glass conversion process, gases evolved from reactions produce primary foam, the growth and collapse of which controls the glass production rate. The mathematical model of the cold cap was revised to include functional representation of primary foam behavior and to account for the dry cold cap surface. The melting rate is computed as a response to the dependence of the primary foam collapse temperature on the heating rate and melter operating conditions, including the effect of bubbling on the cold cap bottom and top surface temperatures. The simulation results are in good agreement with experimental data from laboratory-scale and pilot-scale melter studies. The cold cap model will become part of the full three-dimensional mathematical model of the waste glass melter.
C1 [Pokorny, Richard] Univ Chem & Technol Prague, Dept Chem Engn, Prague 16628 6, Czech Republic.
[Hilliard, Zachary J.; Dixon, Derek R.; Schweiger, Michael J.; Hrma, Pavel] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Guillen, Donna P.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Kruger, Albert A.] US DOE, Off River Protect, Richland, WA 99352 USA.
RP Pokorny, R (reprint author), Univ Chem & Technol Prague, Dept Chem Engn, Prague 16628 6, Czech Republic.
EM richard.pokorny@vscht.cz
RI Guillen, Donna/B-9681-2017
OI Guillen, Donna/0000-0002-7718-4608
FU Department of Energy's Waste Treatment and Immobilization Plant Federal
Project Office; specific university research (MSMT) [20/2015]
FX This work was supported by the Department of Energy's Waste Treatment
and Immobilization Plant Federal Project Office. Richard Pokorny
acknowledges financial support from the specific university research
(MSMT No 20/2015). The authors are grateful to Jaehun Chun and Dong-Sang
Kim for insightful discussions, as well as researchers from the Vitreous
State Laboratory of The Catholic University of America for providing
cold cap videos. Pacific Northwest National Laboratory is operated for
the U.S. Department of Energy by Battelle.
NR 39
TC 2
Z9 3
U1 1
U2 5
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 OCT
PY 2015
VL 98
IS 10
BP 3112
EP 3118
DI 10.1111/jace.13775
PG 7
WC Materials Science, Ceramics
SC Materials Science
GA CT1YK
UT WOS:000362599000022
ER
PT J
AU Ushakov, SV
Navrotsky, A
Weber, RJK
Neuefeind, JC
AF Ushakov, Sergey V.
Navrotsky, Alexandra
Weber, Richard J. K.
Neuefeind, Joerg C.
TI Structure and Thermal Expansion of YSZ and La2Zr2O7 Above 1500 degrees C
from Neutron Diffraction on Levitated Samples
SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY
LA English
DT Article
ID MOLECULAR-DYNAMICS SIMULATION; HIGH-TEMPERATURE LIQUIDS; X-RAY;
THERMOPHYSICAL PROPERTIES; AERODYNAMIC LEVITATION; DIFFUSE TRANSITION;
HEAT-CONTENT; UO2; PYROCHLORE; DISORDER
AB High-temperature time-of-flight neutron diffraction experiments were performed on cubic yttria-stabilized zirconia (YSZ, 10mol% YO1.5) and lanthanum zirconate (LZ) prepared by laser melting. Three spheroids of each composition were aerodynamically levitated and rotated in argon flow and heated with a CO2 laser. Unit cell, positional and atomic displacement parameters were obtained by Rietveld analysis. Below similar to 1650 degrees C the mean thermal expansion coefficient (TEC) for YSZ is higher than for LZ (13 +/- 1 vs. 10.3 +/- 0.6)x10(-6)/K. From similar to 1650 degrees C to the onset of melting of LZ at similar to 2250 degrees C, TEC for YSZ and LZ are similar and within (7 +/- 2)x10(-6)/K. LZ retains the pyrochlore structure up to the melting temperature with Zr coordination becoming closer to perfectly octahedral. Congruently melting LZ is La deficient. The occurrence of thermal disordering of oxygen sublattice (Bredig transition) in defect fluorite structure was deduced from the rise in YSZ TEC to similar to 25x10(-6)/K at 2350 degrees C-2550 degrees C with oxygen displacement parameters (U-iso) reaching 0.1 angstrom(2), similar to behavior observed in UO2. Acquisition of powder-like high-temperature neutron diffraction data from solid-levitated samples is feasible and possible improvements are outlined. This methodology should be applicable to a wide range of materials for high-temperature applications.
C1 [Ushakov, Sergey V.; Navrotsky, Alexandra] Univ Calif Davis, Peter A Rock Thermochem Lab, Davis, CA 95616 USA.
[Weber, Richard J. K.] Mat Dev Inc, Arlington Hts, IL 60004 USA.
[Neuefeind, Joerg C.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA.
RP Navrotsky, A (reprint author), Univ Calif Davis, Peter A Rock Thermochem Lab, One Shields Ave, Davis, CA 95616 USA.
EM anavrotsky@ucdavis.edu
RI Neuefeind, Joerg/D-9990-2015
OI Neuefeind, Joerg/0000-0002-0563-1544
FU Materials Science of Actinides, an Energy Frontier Research Center - US
Department of Energy, Office of Science, Office of Basic Energy Sciences
[DESC0001089]; Scientific User Facilities Division, Office of Basic
Energy Sciences, US Department of Energy; [DE-SC0004684]
FX This work was supported as part of the Materials Science of Actinides,
an Energy Frontier Research Center funded by the US Department of
Energy, Office of Science, Office of Basic Energy Sciences under Award
Number DESC0001089. RW was supported under grant number DE-SC0004684.
The Spallation Neutron Source at Oak Ridge National Laboratory was
supported by the Scientific User Facilities Division, Office of Basic
Energy Sciences, US Department of Energy. Helpful discussions with
Lawrie Skinner, Mikhail Feygenson, Chris Benmore, and participants of
SNS workshop on Applications of NOMAD Aerodynamic Levitator are
gratefully acknowledged.
NR 48
TC 3
Z9 3
U1 4
U2 24
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0002-7820
EI 1551-2916
J9 J AM CERAM SOC
JI J. Am. Ceram. Soc.
PD OCT
PY 2015
VL 98
IS 10
BP 3381
EP 3388
DI 10.1111/jace.13767
PG 8
WC Materials Science, Ceramics
SC Materials Science
GA CT1YK
UT WOS:000362599000057
ER
PT J
AU Haendel, MA
Vasilevsky, N
Brush, M
Hochheiser, HS
Jacobsen, J
Oellrich, A
Mungall, CJ
Washington, N
Kohler, S
Lewis, SE
Robinson, PN
Smedley, D
AF Haendel, Melissa A.
Vasilevsky, Nicole
Brush, Matthew
Hochheiser, Harry S.
Jacobsen, Julius
Oellrich, Anika
Mungall, Christopher J.
Washington, Nicole
Koehler, Sebastian
Lewis, Suzanna E.
Robinson, Peter N.
Smedley, Damian
TI Disease insights through cross-species phenotype comparisons
SO MAMMALIAN GENOME
LA English
DT Review
ID ONTOLOGY; GENES; MOUSE; DATABASE; BIOLOGY; DISORDERS; RESOURCES;
DISCOVERY; UBERON; MICE
AB New sequencing technologies have ushered in a new era for diagnosis and discovery of new causative mutations for rare diseases. However, the sheer numbers of candidate variants that require interpretation in an exome or genomic analysis are still a challenging prospect. A powerful approach is the comparison of the patient's set of phenotypes (phenotypic profile) to known phenotypic profiles caused by mutations in orthologous genes associated with these variants. The most abundant source of relevant data for this task is available through the efforts of the Mouse Genome Informatics group and the International Mouse Phenotyping Consortium. In this review, we highlight the challenges in comparing human clinical phenotypes with mouse phenotypes and some of the solutions that have been developed by members of the Monarch Initiative. These tools allow the identification of mouse models for known disease-gene associations that may otherwise have been overlooked as well as candidate genes may be prioritized for novel associations. The culmination of these efforts is the Exomiser software package that allows clinical researchers to analyse patient exomes in the context of variant frequency and predicted pathogenicity as well the phenotypic similarity of the patient to any given candidate orthologous gene.
C1 [Haendel, Melissa A.; Vasilevsky, Nicole; Brush, Matthew] Oregon Hlth & Sci Univ, Univ Lib, Portland, OR 97201 USA.
[Haendel, Melissa A.; Vasilevsky, Nicole; Brush, Matthew] Oregon Hlth & Sci Univ, Dept Med Informat & Epidemiol, Portland, OR 97201 USA.
[Hochheiser, Harry S.] Univ Pittsburgh, Dept Biomed Informat, Pittsburgh, PA 15206 USA.
[Hochheiser, Harry S.] Univ Pittsburgh, Intelligent Syst Program, Pittsburgh, PA 15206 USA.
[Jacobsen, Julius; Oellrich, Anika; Smedley, Damian] Wellcome Trust Sanger Inst, Skarnes Fac Grp, Cambridge CB10 1SA, England.
[Mungall, Christopher J.; Washington, Nicole; Lewis, Suzanna E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA.
[Koehler, Sebastian; Robinson, Peter N.] Univ Klinikum Charite, Inst Med Genet & Human Genet, Computat Biol Grp, D-13353 Berlin, Germany.
RP Smedley, D (reprint author), Wellcome Trust Sanger Inst, Skarnes Fac Grp, Wellcome Trust Genome Campus, Cambridge CB10 1SA, England.
EM ds5@sanger.ac.uk
OI Jacobsen, Julius/0000-0002-3265-1591; Kohler,
Sebastian/0000-0002-5316-1399; Lewis, Suzanna/0000-0002-8343-612X;
Vasilevsky, Nicole/0000-0001-5208-3432
FU Wellcome Trust; National Institutes of Health (NIH) [1 U54 HG006370-01];
NIH Office of the Director [5R24OD011883]
FX This work was supported by core infrastructure funding from the Wellcome
Trust and National Institutes of Health (NIH) Grant [1 U54 HG006370-01]
and NIH Office of the Director Grant #5R24OD011883. We are grateful to
Cynthia Smith of MGI for her help in developing logical definitions for
MP.
NR 32
TC 3
Z9 3
U1 1
U2 3
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0938-8990
EI 1432-1777
J9 MAMM GENOME
JI Mamm. Genome
PD OCT
PY 2015
VL 26
IS 9-10
SI SI
BP 548
EP 555
DI 10.1007/s00335-015-9577-8
PG 8
WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Genetics & Heredity
SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Genetics & Heredity
GA CT6AT
UT WOS:000362893400019
PM 26092691
ER
PT J
AU Wen, HM
Lin, YJ
Seidman, DN
Schoenung, JM
van Rooyen, IJ
Lavernia, EJ
AF Wen, Haiming
Lin, Yaojun
Seidman, David N.
Schoenung, Julie M.
van Rooyen, Isabella J.
Lavernia, Enrique J.
TI An Efficient and Cost-Effective Method for Preparing Transmission
Electron Microscopy Samples from Powders
SO MICROSCOPY AND MICROANALYSIS
LA English
DT Article; Proceedings Paper
CT 11th Region Workshop of the European-Microbeam-Analysis-Society (EMAS)
CY SEP 21-24, 2014
CL Leoben, AUSTRIA
SP European Microbeam Anal Soc
DE TEM; sample preparation; powders; epoxy; ion milling
ID AL-MG ALLOY; SPECIMEN PREPARATION; GRAIN-GROWTH; NANOCRYSTALLINE AL; NI
POWDER; STRENGTHENING MECHANISMS; CERAMIC POWDERS; ALUMINUM-ALLOY; TEM;
BEHAVIOR
AB The preparation of transmission electron microcopy (TEM) samples from powders with particle sizes larger than similar to 100 nm poses a challenge. The existing methods are complicated and expensive, or have a low probability of success. Herein, we report a modified methodology for preparation of TEM samples from powders, which is efficient, cost-effective, and easy to perform. This method involves mixing powders with an epoxy on a piece of weighing paper, curing the powder-epoxy mixture to form a bulk material, grinding the bulk to obtain a thin foil, punching TEM discs from the foil, dimpling the discs, and ion milling the dimpled discs to electron transparency. Compared with the well established and robust grinding-dimpling-ion-milling method for TEM sample preparation for bulk materials, our modified approach for preparing TEM samples from powders only requires two additional simple steps. In this article, step-by-step procedures for our methodology are described in detail, and important strategies to ensure success are elucidated. Our methodology has been applied successfully for preparing TEM samples with large thin areas and high quality for many different mechanically milled metallic powders.
C1 [Wen, Haiming; Schoenung, Julie M.; Lavernia, Enrique J.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA.
[Wen, Haiming; Seidman, David N.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA.
[Wen, Haiming; van Rooyen, Isabella J.] Idaho Natl Lab, Fuel Performance & Design Dept, Idaho Falls, ID 83415 USA.
[Lin, Yaojun] Yanshan Univ, State Key Lab Metastable Mat Sci & Technol, Qinhuangdao 066004, Hebei, Peoples R China.
[Lin, Yaojun] Yanshan Univ, Coll Mat Sci & Engn, Qinhuangdao 066004, Hebei, Peoples R China.
[Seidman, David N.] NUCAPT, Evanston, IL 60208 USA.
RP Wen, HM (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA.
EM hmwen@ucdavis.edu
RI Seidman, David/B-6697-2009; Wen, Haiming/B-3250-2013
OI Wen, Haiming/0000-0003-2918-3966
FU National Science Foundation [DMR-1210437]; One-Hundred Talents Project,
Hebei Province, China; Research Program of Department of Education,
Hebei Province, China [2011111]
FX Financial support from the National Science Foundation (DMR-1210437) is
gratefully acknowledged. Y.J. Lin thanks financial support from the
One-Hundred Talents Project, Hebei Province, China and the Research
Program of Department of Education, Hebei Province, China (Project No.
2011111).
NR 51
TC 0
Z9 0
U1 1
U2 19
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 1431-9276
EI 1435-8115
J9 MICROSC MICROANAL
JI Microsc. microanal.
PD OCT
PY 2015
VL 21
IS 5
BP 1184
EP 1194
DI 10.1017/S1431927615014695
PG 11
WC Materials Science, Multidisciplinary; Microscopy
SC Materials Science; Microscopy
GA CT6VK
UT WOS:000362950300013
PM 26350148
ER
PT J
AU Bidola, P
Stockmar, M
Achterhold, K
Pfeiffer, F
Pacheco, MLAF
Soriano, C
Beckmann, F
Herzen, J
AF Bidola, Pidassa
Stockmar, Marco
Achterhold, Klaus
Pfeiffer, Franz
Pacheco, Mirian L. A. F.
Soriano, Carmen
Beckmann, Felix
Herzen, Julia
TI Absorption and Phase Contrast X-Ray Imaging in Paleontology Using
Laboratory and Synchrotron Sources
SO MICROSCOPY AND MICROANALYSIS
LA English
DT Article; Proceedings Paper
CT 11th Region Workshop of the European-Microbeam-Analysis-Society (EMAS)
CY SEP 21-24, 2014
CL Leoben, AUSTRIA
SP European Microbeam Anal Soc
DE X-ray micro CT; synchrotron; fossils; paleontology; Corumbella werneri
ID METAZOAN CORUMBELLA-WERNERI; RADIATION; MICROTOMOGRAPHY; TOMOGRAPHY; CT;
SYSTEM; BRAZIL
AB X-ray micro-computed tomography (CT) is commonly used for imaging of samples in biomedical or materials science research. Owing to the ability to visualize a sample in a nondestructive way, X-ray CT is perfectly suited to inspect fossilized specimens, which are mostly unique or rare. In certain regions of the world where important sedimentation events occurred in the Precambrian geological time, several fossilized animals are studied to understand questions related to their origin, environment, and life evolution. This article demonstrates the advantages of applying absorption and phase-contrast CT on the enigmatic fossil Corumbella werneri, one of the oldest known animals capable of building hard parts, originally discovered in Corumba (Brazil). Different tomographic setups were tested to visualize the fossilized inner structures: a commercial laboratory-based CT device, two synchrotron-based imaging setups using conventional absorption and propagation-based phase contrast, and a commercial X-ray microscope with a lens-coupled detector system, dedicated for radiography and tomography. Based on our results we discuss the strengths and weaknesses of the different imaging setups for paleontological studies.
C1 [Bidola, Pidassa; Stockmar, Marco; Achterhold, Klaus; Pfeiffer, Franz; Herzen, Julia] Tech Univ Munich, Dept Phys, D-85748 Garching, Germany.
[Pacheco, Mirian L. A. F.] Univ Fed Sao Carlos, Dept Biol, BR-18052780 Sorocaba, SP, Brazil.
[Soriano, Carmen] Argonne Natl Lab, Adv Photon Source, Lemont, IL 60439 USA.
[Beckmann, Felix] Helmholtz Ctr Geesthacht, Inst Mat Res, D-21502 Geesthacht, Germany.
RP Bidola, P (reprint author), Tech Univ Munich, Dept Phys, D-85748 Garching, Germany.
EM pidassa.bidola@tum.de
FU DFG Cluster of Excellence Munich Centre for Advanced Photonics (MAP);
DFG Gottfried Wilhelm Leibniz program; FAPESP [2009/02312-4];
NAP-Astrobio (PRP-USP); European Synchrotron Radiation Facility (ESRF);
Helmholtz-Zentrum Geesthacht (HZG)
FX The authors acknowledge financial support through the DFG Cluster of
Excellence Munich Centre for Advanced Photonics (MAP), the DFG Gottfried
Wilhelm Leibniz program. Part of this study was supported by research
grants from FAPESP (Proc. 2009/02312-4) and NAP-Astrobio (PRP-USP). The
authors acknowledge the European Synchrotron Radiation Facility (ESRF)
and the Helmholtz-Zentrum Geesthacht (HZG) for beamtimes and financial
support.
NR 29
TC 0
Z9 0
U1 0
U2 10
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 1431-9276
EI 1435-8115
J9 MICROSC MICROANAL
JI Microsc. microanal.
PD OCT
PY 2015
VL 21
IS 5
BP 1288
EP 1295
DI 10.1017/S1431927615014919
PG 8
WC Materials Science, Multidisciplinary; Microscopy
SC Materials Science; Microscopy
GA CT6VK
UT WOS:000362950300023
PM 26306692
ER
PT J
AU Bobik, TA
Lehman, BP
Yeates, TO
AF Bobik, Thomas A.
Lehman, Brent P.
Yeates, Todd O.
TI Bacterial microcompartments: widespread prokaryotic organelles for
isolation and optimization of metabolic pathways
SO MOLECULAR MICROBIOLOGY
LA English
DT Review
ID ENTERICA SEROVAR TYPHIMURIUM; B-12-DEPENDENT 1,2-PROPANEDIOL
DEGRADATION; CYANOBACTERIUM SYNECHOCOCCUS PCC7942; CARBOXYSOME SHELL
PROTEINS; DEPENDENT DIOL DEHYDRATASE; ETHANOLAMINE AMMONIA-LYASE;
CARBON-DIOXIDE FIXATION; CLUSTER-BINDING-SITE; SALMONELLA-ENTERICA;
THIOBACILLUS-NEAPOLITANUS
AB Prokaryotes use subcellular compartments for a variety of purposes. An intriguing example is a family of complex subcellular organelles known as bacterial microcompartments (MCPs). MCPs are widely distributed among bacteria and impact processes ranging from global carbon fixation to enteric pathogenesis. Overall, MCPs consist of metabolic enzymes encased within a protein shell, and their function is to optimize biochemical pathways by confining toxic or volatile metabolic intermediates. MCPs are fundamentally different from other organelles in having a complex protein shell rather than a lipid-based membrane as an outer barrier. This unusual feature raises basic questions about organelle assembly, protein targeting and metabolite transport. In this review, we discuss the three best-studied MCPs highlighting atomic-level models for shell assembly, targeting sequences that direct enzyme encapsulation, multivalent proteins that organize the lumen enzymes, the principles of metabolite movement across the shell, internal cofactor recycling, a potential system of allosteric regulation of metabolite transport and the mechanism and rationale behind the functional diversification of the proteins that form the shell. We also touch on some potential biotechnology applications of an unusual compartment designed by nature to optimize metabolic processes within a cellular context.
C1 [Bobik, Thomas A.; Lehman, Brent P.] Iowa State Univ, Roy J Carver Dept Biochem Biophys & Mol Biol, Ames, IA 50011 USA.
[Yeates, Todd O.] Univ Calif Los Angeles, Inst Mol Biol, Los Angeles, CA 90024 USA.
[Yeates, Todd O.] Univ Calif Los Angeles, UCLA DOE Inst Genom & Prote, Los Angeles, CA USA.
[Yeates, Todd O.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90024 USA.
RP Bobik, TA (reprint author), Iowa State Univ, Roy J Carver Dept Biochem Biophys & Mol Biol, Ames, IA 50011 USA.
EM bobik@iastate.edu; yeates@mbi.ucla.edu
OI Yeates, Todd/0000-0001-5709-9839
FU NIH [R01AI081146]
FX This work was supported by NIH grant R01AI081146 to TOY and TAB.
NR 129
TC 16
Z9 16
U1 6
U2 34
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 OCT
PY 2015
VL 98
IS 2
BP 193
EP 207
DI 10.1111/mmi.13117
PG 15
WC Biochemistry & Molecular Biology; Microbiology
SC Biochemistry & Molecular Biology; Microbiology
GA CT3SB
UT WOS:000362726100001
PM 26148529
ER
PT J
AU Jang, J
Dolzhnikov, DS
Liu, WY
Nam, S
Shim, M
Talapin, DV
AF Jang, Jaeyoung
Dolzhnikov, Dmitriy S.
Liu, Wenyong
Nam, Sooji
Shim, Moonsub
Talapin, Dmitri V.
TI Solution-Processed Transistors Using Colloidal Nanocrystals with
Composition-Matched Molecular "Solders": Approaching Single Crystal
Mobility
SO NANO LETTERS
LA English
DT Article
DE nanocrystals; nanoheterostructures; molecular solder; inorganic ligands;
field-effect transistor; electron mobility; switching speed
ID FIELD-EFFECT TRANSISTORS; THIN-FILM TRANSISTORS; LIGHT-EMITTING-DIODES;
LOW-VOLTAGE; ROOM-TEMPERATURE; SURFACE LIGANDS; HIGH-EFFICIENCY;
SOL-GEL; CIRCUITS; POLYMER
AB Crystalline silicon-based complementary metal-oxide semiconductor transistors have become a dominant platform for today's electronics. For such devices, expensive and complicated vacuum processes are used in the preparation of active layers. This increases cost and restricts the scope of applications. Here, we demonstrate high-performance solution-processed CdSe nanocrystal (NC) field-effect transistors (FETs) that exhibit very high carrier mobilities (over 400 cm(2)/(V s)). This is comparable to the carrier mobilities of crystalline silicon-based transistors. Furthermore, our NC FETs exhibit high operational stability and MHz switching speeds. These NC FETs are prepared by spin coating colloidal solutions of CdSe NCs capped with molecular solders [Cd2Se3](2-) onto various oxide gate dielectrics followed by thermal annealing. We show that the nature of gate dielectrics plays an important role in soldered CdSe NC FETs. The capacitance of dielectrics and the NC electronic structure near gate dielectric affect the distribution of localized traps and trap filling, determining carrier mobility and operational stability of the NC FETs. We expand the application of the NC soldering process to core shell NCs consisting of a III-V InAs core and a CdSe shell with composition-matched [Cd2Se3](2-) molecular solders. Soldering CdSe shells forms nanoheterostructured material that combines high electron mobility and near-IR photoresponse.
C1 [Jang, Jaeyoung; Dolzhnikov, Dmitriy S.; Liu, Wenyong; Talapin, Dmitri V.] Univ Chicago, Dept Chem, Chicago, IL 60637 USA.
[Jang, Jaeyoung; Dolzhnikov, Dmitriy S.; Liu, Wenyong; Talapin, Dmitri V.] Univ Chicago, James Franck Inst, Chicago, IL 60637 USA.
[Nam, Sooji; Shim, Moonsub] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA.
[Talapin, Dmitri V.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
RP Talapin, DV (reprint author), Univ Chicago, Dept Chem, 5735 S Ellis Ave, Chicago, IL 60637 USA.
EM dvtalapin@uchicago.edu
RI Shim, Moonsub/A-7875-2009
OI Shim, Moonsub/0000-0001-7781-1029
FU DOD ONR Award [N00014-13-1-0490]; NSF [DMR-1310398]; II-VI Foundation;
University of Chicago NSF MRSEC Program [DMR 14-20709]
FX We want to thank P. Phillips and R. Klie at the University of Illinois
at Chicago for STEM and EDX elemental mapping measurements. This work
was supported by DOD ONR Award Number N00014-13-1-0490, by NSF Award
Number DMR-1310398 and by II-VI Foundation. We also acknowledge the use
of facilities supported by the University of Chicago NSF MRSEC Program
under Award Number DMR 14-20709.
NR 59
TC 16
Z9 16
U1 16
U2 62
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 OCT
PY 2015
VL 15
IS 10
BP 6309
EP 6317
DI 10.1021/acs.nanolett.5b01258
PG 9
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CT7NZ
UT WOS:000363003100005
PM 26280943
ER
PT J
AU Yan, AM
Velasco, J
Kahn, S
Watanabe, K
Taniguchi, T
Wang, F
Crommie, MF
Zettl, A
AF Yan, Aiming
Velasco, Jairo
Kahn, Salman
Watanabe, Kenji
Taniguchi, Takashi
Wang, Feng
Crommie, Michael F.
Zettl, Alex
TI Direct Growth of Single- and Few-Layer MoS2 on h-BN with Preferred
Relative Rotation Angles
SO NANO LETTERS
LA English
DT Article
DE Molybdenum disulfide; chemical vapor deposition; heterostructure;
hexagonal boron nitride; screw-dislocation driven growth; transition
metal dichalcogenides
ID CHEMICAL-VAPOR-DEPOSITION; HEXAGONAL BORON-NITRIDE; DISLOCATION-DRIVEN
GROWTH; TRANSITION-METAL DICHALCOGENIDES; SCANNING-TUNNELING-MICROSCOPY;
2-DIMENSIONAL ATOMIC CRYSTALS; DER-WAALS HETEROSTRUCTURES;
ELECTRONIC-PROPERTIES; MOLYBDENUM-DISULFIDE; EPITAXIAL-GROWTH
AB Monolayer molybdenum disulfide (MoS2) is a promising two-dimensional direct-bandgap semiconductor with potential applications in atomically thin and flexible electronics. An attractive insulating substrate or mate for MoS2 (and related materials such as graphene) is hexagonal boron nitride (h-BN). Stacked heterostructures of MoS2 and h-BN have been produced by manual transfer methods, but a more efficient and scalable assembly method is needed. Here we demonstrate the direct growth of single- and few-layer MoS2 on h-BN by chemical vapor deposition (CVD) method, which is scalable with suitably structured substrates. The growth mechanisms for single-layer and few-layer samples are found to be distinct, and for single-layer samples low relative rotation angles (<5 degrees) between the MoS2 and h-BN lattices prevail. Moreover, MoS2 directly grown on h-BN maintains its intrinsic 1.89 eV bandgap. Our CVD synthesis method presents an important advancement toward controllable and scalable MoS2-based electronic devices.
C1 [Yan, Aiming; Velasco, Jairo; Kahn, Salman; Wang, Feng; Crommie, Michael F.; Zettl, Alex] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Yan, Aiming; Wang, Feng; Crommie, Michael F.; Zettl, Alex] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Watanabe, Kenji; Taniguchi, Takashi] Natl Inst Mat Sci, Tsukuba, Ibaraki 3050044, Japan.
[Yan, Aiming; Velasco, Jairo; Wang, Feng; Crommie, Michael F.; Zettl, Alex] Univ Calif Berkeley, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
[Yan, Aiming; Velasco, Jairo; Wang, Feng; Crommie, Michael F.; Zettl, Alex] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Zettl, A (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
EM azettl@berkeley.edu
RI Foundry, Molecular/G-9968-2014; TANIGUCHI, Takashi/H-2718-2011;
WATANABE, Kenji/H-2825-2011; Zettl, Alex/O-4925-2016; wang,
Feng/I-5727-2015;
OI WATANABE, Kenji/0000-0003-3701-8119; Zettl, Alex/0000-0001-6330-136X;
Kahn, Salman/0000-0002-0012-3305
FU Office of Basic Energy Sciences, Materials Sciences and Engineering
Division of the U.S. Department of Energy [DE-AC02-05CH11231]; NSF
[DMR-1206512]; Molecular Foundry of the Lawrence Berkeley National
Laboratory [DE-AC02-05CH11231]
FX This research was supported in part by the Director, Office of Basic
Energy Sciences, Materials Sciences and Engineering Division of the U.S.
Department of Energy under Contract DE-AC02-05CH11231 within the
sp2-bonded Materials Program, which provided for postdoctoral support
and AFM and PL characterization; by NSF Grant DMR-1206512, which
provided for the sample growth, and by the Molecular Foundry of the
Lawrence Berkeley National Laboratory, under Contract DE-AC02-05CH11231,
which provided for TEM characterization. We acknowledge Karen Bustillo
in the Molecular Foundry of the Lawrence Berkeley National Laboratory
for TEM technical support and Dr. Wei Chen in the Electrochemical
Technologies Group of the Lawrence Berkeley National Laboratory for
useful discussion. Illuminating discussions with Ashley Gibb are also
acknowledged.
NR 38
TC 20
Z9 20
U1 34
U2 217
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 OCT
PY 2015
VL 15
IS 10
BP 6324
EP 6331
DI 10.1021/acs.nanolett.5b01311
PG 8
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CT7NZ
UT WOS:000363003100007
PM 26317240
ER
PT J
AU Li, Z
Tan, XH
Li, P
Kalisvaart, P
Janish, MT
Mook, WM
Luber, EJ
Jungjohann, KL
Carter, CB
Mitlin, D
AF Li, Zhi
Tan, Xuehai
Li, Peng
Kalisvaart, Peter
Janish, Matthew T.
Mook, William M.
Luber, Erik J.
Jungjohann, Katherine L.
Carter, C. Barry
Mitlin, David
TI Coupling In Situ TEM and Ex Situ Analysis to Understand Heterogeneous
Sodiation of Antimony
SO NANO LETTERS
LA English
DT Article
DE sodium ion battery; operando; in situ TEM; antimony; lithium ion battery
ID SODIUM-ION BATTERIES; TRANSMISSION ELECTRON-MICROSCOPY;
X-RAY-DIFFRACTION; CU BILAYER FILMS; LI-ION; NEGATIVE ELECTRODES;
HIGH-PERFORMANCE; RECHARGEABLE BATTERIES; REACTION-MECHANISM; SILICON
NANOWIRES
AB We employed an in situ electrochemical cell in the transmission electron microscope (TEM) together with ex situ time-of-flight, secondary-ion mass spectrometry (TOF-SIMS) depth profiling, and FIB-helium ion scanning microscope (HIM) imaging to detail the structural and compositional changes associated with Na/Na+ charging/ discharging of 50 and 100 nm thin films of Sb. TOF-SIMS on a partially sodiated 100 nm Sb film gives a Na signal that progressively decreases toward the current collector, indicating that sodiation does not proceed uniformly. This heterogeneity will lead to local volumetric expansion gradients that would in turn serve as a major source of intrinsic stress in the microstructure. In situ TEM shows time-dependent buckling and localized separation of the sodiated films from their TiN-Ge nanowire support, which is a mechanism of stress-relaxation. Localized horizontal fracture does not occur directly at the interface, but rather at a short distance away within the bulk of the Sb. HIM images of FIB cross sections taken from sodiated half-cells, electrically disconnected, and aged at room temperature, demonstrate nonuniform film swelling and the onset of analogous through-bulk separation. TOP-SIMS highlights time-dependent segregation of Na within the structure, both to the film-current collector interface and to the film surface where a solid electrolyte interphase (SET) exists, agreeing with the electrochemical impedance results that show time-dependent increase of the films' charge transfer resistance. We propose that Na segregation serves as a secondary source of stress relief, which occurs over somewhat longer time scales.
C1 [Li, Zhi; Tan, Xuehai; Kalisvaart, Peter] Univ Alberta, Chem & Mat Engn, Edmonton, AB T6G 2V4, Canada.
[Luber, Erik J.] Univ Alberta, Dept Chem, Edmonton, AB T6G 2V4, Canada.
[Li, Peng] Univ Alberta, NanoFAB Fabricat & Characterizat Facil, Edmonton, AB T6G 2V4, Canada.
[Janish, Matthew T.; Carter, C. Barry] Univ Connecticut, Dept Mat Sci & Engn, Storrs, CT 06269 USA.
[Mook, William M.; Jungjohann, Katherine L.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA.
[Mitlin, David] Clarkson Univ, Chem & Biomol Engn & Mech Engn, Potsdam, NY 13699 USA.
RP Li, Z (reprint author), Univ Alberta, Chem & Mat Engn, Edmonton, AB T6G 2V4, Canada.
EM lizhicn@gmail.com; dmitlin@clarkson.edu
RI Li, Zhi/H-3377-2011; Mitlin , David /M-5328-2016; Janish,
Matthew/M-8625-2016;
OI Li, Zhi/0000-0003-1668-4948; Mitlin , David /0000-0002-7556-3575;
Carter, C Barry/0000-0003-4251-9102; Luber, Erik/0000-0003-1623-0102
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX This work was performed, in part, at the Center for Integrated
Nanotechnologies, an U.S. Department of Energy (DOE) Office of Basic
Energy Sciences (BES) national 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 DE-AC04-94AL85000. Authors thank the
nanoFAB Fabrication and Characterization Facility at University of
Alberta for the Helium Ion Microscope analysis.
NR 72
TC 12
Z9 12
U1 26
U2 149
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 OCT
PY 2015
VL 15
IS 10
BP 6339
EP 6348
DI 10.1021/acs.nanolett.5b03373
PG 10
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 CT7NZ
UT WOS:000363003100009
PM 26389786
ER
PT J
AU Reeves, KG
Schleife, A
Correa, AA
Kanai, Y
AF Reeves, Kyle G.
Schleife, Andre
Correa, Alfredo A.
Kanai, Yosuke
TI Role of Surface Termination on Hot Electron Relaxation in Silicon
Quantum Dots: A First-Principles Dynamics Simulation Study
SO NANO LETTERS
LA English
DT Article
DE Fewest switches surface hopping; quantum dots; electron relaxation;
silicon; surface passivation
ID DOMAIN AB-INITIO; MOLECULAR-DYNAMICS; SEMICONDUCTOR; NANOCRYSTALS;
TRANSITIONS; EFFICIENCY; LIGANDS; STATES; LIMIT
AB The role of surface termination on phonon-mediated relaxation of an excited electron in quantum dots was investigated using first-principles simulations. The surface terminations of a silicon quantum dot with hydrogen and fluorine atoms lead to distinctively different relaxation behaviors, and the fluorine termination shows a nontrivial relaxation process. The quantum confined electronic states are significantly affected by the surface of the quantum dot, and we find that a particular electronic state dictates the relaxation behavior through its infrequent coupling to neighboring electronic states. Dynamical fluctuation of this electronic state results in a slow shuttling behavior within the manifold of unoccupied electronic states, controlling the overall dynamics of the excited electron with its characteristic frequency of this shuttling behavior. The present work revealed a unique role of surface termination, dictating the hot electron relaxation process in quantum-confined systems in the way that has not been considered previously.
C1 [Reeves, Kyle G.; Kanai, Yosuke] Univ N Carolina, Dept Chem, Chapel Hill, NC 27514 USA.
[Schleife, Andre] Univ Illinois, Dept Mat Sci & Engn, Champaign, IL 61820 USA.
[Correa, Alfredo A.] Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA.
RP Kanai, Y (reprint author), Univ N Carolina, Dept Chem, CB 3290, Chapel Hill, NC 27514 USA.
EM ykanai@unc.edu
RI Kanai, Yosuke/B-5554-2016
FU National Science Foundation [DGE-1144081]; Office of Science of the U.S.
Department of Energy [DEAC02-05CH11231]; US Department of Energy at
Lawrence Livermore National Laboratory [DE-AC52- 07A27344]
FX We would like to thank Oleg V. Prezhdo and Amanda J. Neukirch for
insightful discussions on the surface hopping methodology. This material
is based upon work supported by the National Science Foundation under
Grant No. DGE-1144081. We thank National Energy Research Computing
Center, which is supported by the Office of Science of the U.S.
Department of Energy under Contract No. DEAC02-05CH11231 for
computational resources. Part of this work was performed under the
auspices of the US Department of Energy at Lawrence Livermore National
Laboratory under contract DE-AC52- 07A27344.
NR 30
TC 4
Z9 4
U1 8
U2 19
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 OCT
PY 2015
VL 15
IS 10
BP 6429
EP 6433
DI 10.1021/acs.nanolett.5b01707
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 CT7NZ
UT WOS:000363003100021
PM 26331672
ER
PT J
AU Pan, LD
Que, YD
Chen, H
Wang, DF
Li, J
Shen, CM
Xiao, WD
Du, SX
Gao, HJ
Pantelides, ST
AF Pan, Lida
Que, Yande
Chen, Hui
Wang, Dongfei
Li, Jun
Shen, Chengmin
Xiao, Wende
Du, Shixuan
Gao, Hongjun
Pantelides, Sokrates T.
TI Room-Temperature, Low-Barrier Boron Doping of Graphene
SO NANO LETTERS
LA English
DT Article
DE boron-doped graphene; first-principles calculations; scanning tunneling
microscopy; scanning tunneling spectroscopy
ID NITROGEN-DOPED GRAPHENE; MONOLAYER GRAPHENE; ELECTRONIC-STRUCTURE;
CARBON; METALS; SHEETS; GAS
AB Doping graphene with boron has been difficult because of high reaction barriers. Here, we describe a low-energy reaction route derived from first-principles calculations and validated by experiments. We find that a boron atom on graphene on a ruthenium(0001) substrate can replace a carbon by pushing it through, with substrate attraction helping to reduce the barrier to only 0.1 eV, implying that the doping can take place at room temperature. High-quality graphene is grown on a Ru(0001) surface and exposed to B2H6. Scanning tunneling microscopy/ spectroscopy and X-ray photoelectron spectroscopy confirmed that boron is indeed incorporated substitutionally without disturbing the graphene lattice.
C1 [Pan, Lida; Pantelides, Sokrates T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA.
[Pan, Lida; Que, Yande; Chen, Hui; Wang, Dongfei; Li, Jun; Shen, Chengmin; Xiao, Wende; Du, Shixuan; Gao, Hongjun] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China.
[Pantelides, Sokrates T.] Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37235 USA.
[Pantelides, Sokrates T.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RP Du, SX (reprint author), Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China.
EM sxdu@iphy.ac.cn; pantelides@vanderbilt.edu
RI Shen, Chengmin/M-6697-2014; Que, Yande/N-9556-2013; Du,
Shixuan/K-7145-2012;
OI Shen, Chengmin/0000-0003-4716-9367; Que, Yande/0000-0002-5267-4985; Du,
Shixuan/0000-0001-9323-1307; Xiao, Wende/0000-0003-4786-719X
FU National Science Foundation of China [51210003, 61390500, 51325204];
National "973" projects of China [2013CBA01601, 2011CB921702]; Chinese
Academy of Sciences, SSC; U.S. Department of Energy [DE-FG02-09ER46554];
McMinn Endowment at Vanderbilt University
FX This work was supported by grants from the National Science Foundation
of China (51210003, 61390500, 51325204), National "973" projects of
China (2013CBA01601, 2011CB921702), the Chinese Academy of Sciences,
SSC, by the U.S. Department of Energy grant DE-FG02-09ER46554, and by
the McMinn Endowment at Vanderbilt University.
NR 38
TC 3
Z9 3
U1 15
U2 77
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD OCT
PY 2015
VL 15
IS 10
BP 6464
EP 6468
DI 10.1021/acs.nanolett.5b01839
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 CT7NZ
UT WOS:000363003100026
PM 26348981
ER
PT J
AU Chen, ZH
Liu, J
Qi, YJ
Chen, DY
Hsu, SL
Damodaran, AR
He, XQ
N'Diaye, AT
Rockett, A
Martin, LW
AF Chen, Zuhuang
Liu, Jian
Qi, Yajun
Chen, Deyang
Hsu, Shang-Lin
Damodaran, Anoop R.
He, Xiaoqing
N'Diaye, Alpha T.
Rockett, Angus
Martin, Lane W.
TI 180 degrees Ferroelectric Stripe Nanodomains in BiFeO3 Thin Films
SO NANO LETTERS
LA English
DT Article
DE BiFeO3; domain walls; multiferroic; ferroelectric; exchange bias; strain
ID PHASE MULTIFERROICS; NANOSCALE CONTROL; DOMAIN CONTROL; EXCHANGE BIAS;
BATIO3; WALLS; OXIDE
AB There is growing evidence that domain walls in ferroics can possess emergent properties that are absent in the bulk. For example, 180 degrees ferroelectric domain walls in the ferroelectric-antiferromagnetic BiFeO3 are particularly interesting because they have been predicted to possess a range of intriguing behaviors, including electronic conduction and enhanced magnetization. To date, however, ordered arrays of such domain structures have not been reported. Here, we report the observation of 180 degrees stripe nanodomains in (110)-oriented BiFeO3 thin films grown on orthorhombic GdScO3 (010)(O) substrates and their impact on exchange coupling to metallic ferromagnets. Nanoscale ferroelectric 180 degrees stripe domains with {11 (2) over bar} domain walls were observed in films <32 nm thick. With increasing film thickness, we observed a domain structure crossover from the depolarization field-driven 180 degrees stripe nanodomains to 71 degrees ferroelastic domains determined by the elastic energy. These 180 domain walls (which are typically cylindrical or meandering in nature due to a lack of strong anisotropy associated with the energy of such walls) are found to be highly ordered. Additional studies of Co0.9Fe0.1/BiFeO3 heterostructures reveal exchange bias and exchange enhancement in heterostructures based on BiFeO3 with 180 degrees domain walls and an absence of exchange bias in heterostructures based on BiFeO3 with 71 degrees domain walls; suggesting that the 180 degrees domain walls could be the possible source for pinned uncompensated spins that give rise to exchange bias. This is further confirmed by Xray circular magnetic dichroism studies, which demonstrate that films with predominantly 180 degrees domain walls have larger magnetization than those with primarily 71 degrees domain walls. Our results could be useful to extract the structure of domain walls and to explore domain wall functionalities in BiFeO3.
C1 [Chen, Zuhuang; Chen, Deyang; Hsu, Shang-Lin; Damodaran, Anoop R.; Martin, Lane W.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Liu, Jian] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Liu, Jian; Martin, Lane W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[N'Diaye, Alpha T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Qi, Yajun] Hubei Univ, Hubei Collaborat Innovat Ctr Adv Organ Chem Mat, Dept Mat Sci & Engn, Key Lab Green Preparat & Applicat Mat,Minist Educ, Wuhan 430062, Peoples R China.
[He, Xiaoqing; Rockett, Angus] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA.
[He, Xiaoqing; Rockett, Angus] Univ Illinois, Mat Res Lab, Urbana, IL 61801 USA.
[Rockett, Angus; Martin, Lane W.] Int Inst Carbon Neutral Res, Nishi Ku, Fukuoka 8190395, Japan.
RP Chen, ZH (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
EM zuhuang@berkeley.edu; lwmartin@berkeley.edu
RI Liu, Jian/I-6746-2013; Martin, Lane/H-2409-2011; Chen,
Zuhuang/E-7131-2011
OI Liu, Jian/0000-0001-7962-2547; Martin, Lane/0000-0003-1889-2513; Chen,
Zuhuang/0000-0003-1912-6490
FU Army Research Office [W911NF-14-1-0104]; Air Force Office of Scientific
Research [MURI FA9550-12-1-0471]; Office of Basic Energy Sciences,
Materials Sciences and Engineering Division, of the U.S. Department of
Energy [DE-AC02-05CH11231]; National Science Foundation of China
[11204069, 51472078]; National Science Foundation [DMR-1451219,
CMMI-1434147]; Office of Science, Office of Basic Energy Sciences, of
the U.S. Department of Energy [DE-AC02-05CH11231]; International
Institute for Carbon-Neutral Energy Research (WPI I2CNER) - Japanese
Ministry of Education, Culture, Sport, Science and Technology
FX Z.H.C. and L.W.M. acknowledges the support of the Army Research Office
under grant W911NF-14-1-0104 and the Air Force Office of Scientific
Research under grant MURI FA9550-12-1-0471. J.L. acknowledges support
from the Quantum Materials FWP, Office of Basic Energy Sciences,
Materials Sciences and Engineering Division, of the U.S. Department of
Energy under Contract No. DE-AC02-05CH11231. Y.Q. acknowledges support
of the National Science Foundation of China under grants 11204069 and
51472078. A.R.D. and L.W.M. acknowledge the support of the National
Science Foundation under grants DMR-1451219 and CMMI-1434147,
respectively. Part of the work was completed at the Advanced Light
Source which is supported by the Director, Office of Science, Office of
Basic Energy Sciences, of the U.S. Department of Energy under Contract
No. DE-AC02-05CH11231. A.R. and L.W.M. acknowledge support by the
International Institute for Carbon-Neutral Energy Research (WPI
I2CNER), sponsored by the Japanese Ministry of Education,
Culture, Sport, Science and Technology. We are grateful to Ruijuan Xu
for the domain schematic drawing.
NR 53
TC 7
Z9 7
U1 17
U2 91
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 OCT
PY 2015
VL 15
IS 10
BP 6506
EP 6513
DI 10.1021/acs.nanolett.5b02031
PG 8
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CT7NZ
UT WOS:000363003100033
PM 26317408
ER
PT J
AU Strelcov, E
Belianinov, A
Hsieh, YH
Chu, YH
Kalinin, SV
AF Strelcov, Evgheni
Belianinov, Alexei
Hsieh, Ying-Hui
Chu, Ying-Hao
Kalinin, Sergei V.
TI Constraining Data Mining with Physical Models: Voltage- and Oxygen
Pressure-Dependent Transport in Multiferroic Nanostructures
SO NANO LETTERS
LA English
DT Article
DE Bismuth ferrite; cobalt ferrite; oxide heterostructures; multivariate
analysis; Bayesian linear unmixing FORC-IV
ID DOMAIN-WALLS; LOCAL CONDUCTION; NANOSCALE; INTERFACES; OXIDES; GAS;
TRANSITION; DYNAMICS
AB Development of new generation electronic devices necessitates understanding and controlling the electronic transport in ferroic, magnetic, and optical materials, which is hampered by two factors. First, the complications of working at the nanoscale, where interfaces, grain boundaries, defects, and so forth, dictate the macroscopic characteristics. Second, the convolution of the response signals stemming from the fact that several physical processes may be activated simultaneously. Here, we present a method of solving these challenges via a combination of atomic force microscopy and data mining analysis techniques. Rational selection of the latter allows application of physical constraints and enables direct interpretation of the statistically significant behaviors in the framework of the chosen physical model, thus distilling physical meaning out of raw data. We demonstrate our approach with an example of deconvolution of complex transport behavior in a bismuth ferrite cobalt ferrite nanocomposite in ambient and ultrahigh vacuum environments. Measured signal is apportioned into four electronic transport patterns, showing different dependence on partial oxygen and water vapor pressure. These patterns are described in terms of Ohmic conductance and Schottky emission models in the light of surface electrochemistry. Furthermore, deep data analysis allows extraction of local dopant concentrations and barrier heights empowering our understanding of the underlying dynamic mechanisms of resistive switching.
C1 [Strelcov, Evgheni; Belianinov, Alexei; Kalinin, Sergei V.] Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA.
[Strelcov, Evgheni; Belianinov, Alexei; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Hsieh, Ying-Hui; Chu, Ying-Hao] Natl Chiao Tung Univ, Dept Mat Sci & Engn, Hsinchu 30010, Taiwan.
[Chu, Ying-Hao] Acad Sinica, Inst Phys, Taipei 105, Taiwan.
RP Kalinin, SV (reprint author), Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA.
EM strelcove@oml.gov
RI Kalinin, Sergei/I-9096-2012; Ying-Hao, Chu/A-4204-2008;
OI Kalinin, Sergei/0000-0001-5354-6152; Ying-Hao, Chu/0000-0002-3435-9084;
Belianinov, Alex/0000-0002-3975-4112
FU Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy; National Science Council, R.O.C
[NSC-101-2119-M-009-003-MY2]; Ministry of Education [MOE-ATU 101W961];
Center for interdisciplinary science of National Chiao Tung University
FX This research was conducted at the Center for Nanophase Materials
Sciences, which is sponsored at Oak Ridge National Laboratory by the
Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy. The work at National Chiao Tung University is
supported by the National Science Council, R.O.C
(NSC-101-2119-M-009-003-MY2), Ministry of Education (MOE-ATU 101W961),
and Center for interdisciplinary science of National Chiao Tung
University.
NR 59
TC 6
Z9 6
U1 8
U2 54
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 OCT
PY 2015
VL 15
IS 10
BP 6650
EP 6657
DI 10.1021/acs.nanolett.5b02472
PG 8
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CT7NZ
UT WOS:000363003100054
PM 26312554
ER
PT J
AU Polat, BD
Keles, O
Amine, K
AF Polat, B. D.
Keles, O.
Amine, K.
TI Silicon-Copper Helical Arrays for New Generation Lithium Ion Batteries
SO NANO LETTERS
LA English
DT Article
DE Lithium-ion batteries; anode; helices; CuSi thin film; glancing angle
deposition; ion-assisted deposition
ID GLANCING-ANGLE DEPOSITION; THIN-FILMS; ANODES; LI; NANOPARTICLES;
PERFORMANCE; COLUMN
AB The helical array (with 10 atom % Cu) exhibits 3130 mAh g(-1) with 83% columbic efficiency and retains 83% of its initial discharge capacity after 100th cycle. Homogeneously distributed interspaces between the helical arrays accommodate high volumetric changes upon cycling and copper atoms form a conductive network to buffer the mechanical stress generated in the electrode while minimizing electrochemical agglomeration of Si. Also, ion assistance is believed to enhance the density of the helices at the bottom thus increasing the adhesion.
C1 [Polat, B. D.; Keles, O.] Istanbul Tech Univ, Dept Met & Mat Engn, TR-34469 Istanbul, Turkey.
[Amine, K.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Keles, O (reprint author), Istanbul Tech Univ, Dept Met & Mat Engn, TR-34469 Istanbul, Turkey.
EM ozgulkeles@itu.edu.tr; amine@anl.gov
FU [213M511]
FX This work is a part of the research project 213M511 approved by The
Scientific and Technological Research Council of Turkey (TUBITAK). The
authors thank Dr. Levent Eryilmaz, Dr. Robert Erck, Dr. Ali Erdemir,
Professor Dr. Sebahattin Gurmen, and Associate Professor Kursat Kazmanh
for their contributions to the study and Professor Dr. Gultekin
Professor Dr. Mustafa Urgen, Professor Dr. Servet Timur, Sevgin Turkeli,
and Huseyin Sezer for their help in accomplishing the SEM, XRD, and CV
analyses.
NR 31
TC 4
Z9 4
U1 22
U2 111
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 OCT
PY 2015
VL 15
IS 10
BP 6702
EP 6708
DI 10.1021/acs.nanolett.5b02522
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 CT7NZ
UT WOS:000363003100062
PM 26393378
ER
PT J
AU Wang, YF
Liao, JH
McBride, SP
Efrati, E
Lin, XM
Jaeger, HM
AF Wang, Yifan
Liao, Jianhui
McBride, Sean P.
Efrati, Efi
Lin, Xiao-Min
Jaeger, Heinrich M.
TI Strong Resistance to Bending Observed for Nanoparticle Membranes
SO NANO LETTERS
LA English
DT Article
DE Nanoparticle; membrane; bending; bending modulus; indentation;
persistence length
ID NANOCRYSTAL SUPERLATTICES; MECHANICAL-PROPERTIES; GRAPHENE; STRAIN;
SHEETS; CRYSTALLINE; ELASTICITY; ASYMMETRY; SILICON; ARRAYS
AB We demonstrate how gold nanopartide monolayers can be curled up into hollow scrolls that make it possible to extract both bending and stretching moduli from indentation by atomic force microscopy. We find a bending modulus that is 2 orders of magnitude larger than predicted by standard continuum elasticity, an enhancement we associate with nonlocal microstructural constraints. This finding opens up new opportunities for independent control of resistance to bending and stretching at the nanoscale.
C1 [Wang, Yifan; Jaeger, Heinrich M.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA.
[Wang, Yifan; Liao, Jianhui; McBride, Sean P.; Efrati, Efi; Jaeger, Heinrich M.] Univ Chicago, James Franck Inst, Chicago, IL 60637 USA.
[Liao, Jianhui] Peking Univ, Dept Elect, Key Lab Phys & Chem Nanodevices, Beijing 100871, Peoples R China.
[Efrati, Efi] Weizmann Inst Sci, Dept Phys Complex Syst, IL-76100 Rehovot, Israel.
[Lin, Xiao-Min] Argonne Natl Lab, Cetr Nanoscale Mat, Argonne, IL 60439 USA.
RP Wang, YF (reprint author), Univ Chicago, Dept Phys, 5720 S Ellis Ave, Chicago, IL 60637 USA.
EM yifanw@uchicago.edu
OI Wang, Yifan/0000-0003-2284-520X
FU NSF [DMR-1207204, DMR-1508110]; Chicago MRSEC under NSF [DMR-0820054,
DMR-1420709]; U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences [DE-AC02-06CH11357]; Ministry of Science and
Technology, PRC [2011CB933001, 2012CB932702]; National Natural Science
Foundation of China [60971001]; Simons foundation
FX We thank Ed Barry, Pongsakorn Kanjanaboos, Ivo Peters, Tom Witten, and
Qm Xu for many stimulating discussions. The work was supported by the
NSF through grants DMR-1207204 and DMR-1508110 and through the Chicago
MRSEC under NSF DMR-0820054 and DMR-1420709. 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. J.L. acknowledges
fellowship support from the Ministry of Science and Technology, PRC (no.
2011CB933001, 2012CB932702) and the National Natural Science Foundation
of China (no. 60971001) and thanks the University of Chicago for its
hospitality during his stay there. E.E. acknowledges support from the
Simons foundation.
NR 31
TC 5
Z9 5
U1 6
U2 37
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 OCT
PY 2015
VL 15
IS 10
BP 6732
EP 6737
DI 10.1021/acs.nanolett.5b02587
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 CT7NZ
UT WOS:000363003100067
PM 26313627
ER
PT J
AU Fu, A
Gao, HW
Petrov, P
Yang, PD
AF Fu, Anthony
Gao, Hanwei
Petrov, Petar
Yang, Peidong
TI Widely Tunable Distributed Bragg Reflectors Integrated into Nanowire
Waveguides
SO NANO LETTERS
LA English
DT Article
DE Distributed Bragg Reflectors; nanowire; photonics; gallium nitride;
waveguides; selected-area spectroscopy
ID SUBWAVELENGTH PHOTONICS INTEGRATION; SEMICONDUCTOR NANOWIRES;
REFRACTIVE-INDEXES; OPTICAL SENSORS; WAVELENGTH; LASERS;
HETEROSTRUCTURES; ULTRAVIOLET; CRYSTAL
AB Periodic structures with dimensions on the order of the wavelength of light can tailor and improve the performance of optical components, and they can enable the creation of devices with new functionalities. For example, distributed Bragg reflectors (DBRs), which are created by periodic modulations in a structure's dielectric medium, are essential in dielectric mirrors, vertical cavity surface emitting lasers, fiber Bragg gratings, and single-frequency laser diodes. This work introduces nanoscale DBRs integrated directly into gallium nitride (GaN) nanowire waveguides. Photonic band gaps that are tunable across the visible spectrum are demonstrated by precisely controlling the grating's parameters. Numerical simulations indicate that in-wire DBRs have significantly larger reflection coefficients in comparison with the nanowire's end facet. By comparing the measured spectra with the simulated spectra, the index of refraction of the GaN nanowire waveguides was extracted to facilitate the design of photonic coupling structures that are sensitive to phase-matching conditions. This work indicates the potential to design nanowire-based devices with improved performance for optical resonators and optical routing.
C1 [Fu, Anthony; Gao, Hanwei; Petrov, Petar; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Yang, Peidong] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Fu, Anthony; Gao, Hanwei; Yang, Peidong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Gao, Hanwei] Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA.
RP Yang, PD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM p_yang@berkeley.edu
RI Foundry, Molecular/G-9968-2014; Gao, Hanwei/B-3634-2010
FU Office of Science, Office of Basic Energy Sciences of the U.S.
Department of Energy [DE-AC02-05CH11231]; National Science Foundation
Center of Integrated Nanomechanical Systems (NSF COINS) [0832819]
FX The authors thank Dr. Sarah Brittman for invaluable discussions during
the preparation of the manuscript. The authors also thank Dr. Stefano
Cabrini, Dr. Simone Sassolini, and Dr. Shaul Aloni for helpful
discussions throughout the duration of this work. This work was
supported by The Office of Science, Office of Basic Energy Sciences of
the U.S. Department of Energy under Contract No. DE-AC02-05CH11231
(P-Chem). This work made use of the imaging and fabrication facilities
in the Molecular Foundry at the Lawrence Berkeley National Laboratory,
the Marvell Nanofabrication Laboratory at the University of California,
Berkeley, and the computing clusters in the Molecular Graphics and
Computation Facility at the University of California, Berkeley. A.F.
acknowledges the support from the National Science Foundation Center of
Integrated Nanomechanical Systems (NSF COINS) under Contract No.
0832819.
NR 34
TC 6
Z9 6
U1 11
U2 59
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD OCT
PY 2015
VL 15
IS 10
BP 6909
EP 6913
DI 10.1021/acs.nanolett.5b02839
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 CT7NZ
UT WOS:000363003100094
PM 26379092
ER
PT J
AU Chen, YP
Xie, YE
Yang, SYA
Pan, H
Zhang, F
Cohen, ML
Zhang, SB
AF Chen, Yuanping
Xie, Yuee
Yang, Shengyuan A.
Pan, Hui
Zhang, Fan
Cohen, Marvin L.
Zhang, Shengbai
TI Nanostructured Carbon Allotropes with Weyl-like Loops and Points
SO NANO LETTERS
LA English
DT Article
DE Graphene network; Weyl semimetal; Weyl-like loops; Weyl-like points;
flat surface band; surface Fermi arc
ID TOPOLOGICAL INSULATORS; GRAPHENE; 3D
AB Carbon allotropes are subject of intense investigations for their superb structural, electronic, and chemical properties, but not for topological band properties because of the lack of strong spin-orbit coupling (SOC). Here, we show that conjugated p-orbital interactions, common to most carbon allotropes, can in principle produce a new type of topological band structure, forming the so-called Weyl-like semimetal in the absence of SOC. Taking a structurally stable interpenetrated graphene network (IGN) as example, we show, by first-principles calculations and tight-binding modeling, that its Fermi surface is made of two symmetry-protected Weyl-like loops with linear dispersion along perpendicular directions. These loops are reduced to Weyl-like points upon breaking of the inversion symmetry. Because of the topological properties of these band-structure anomalies, remarkably, at a surface terminated by vacuum there emerges a flat band in the loop case and two Fermi arcs in the point case. These topological carbon materials may also find applications in the fields of catalysts.
C1 [Chen, Yuanping; Xie, Yuee] Xiangtan Univ, Sch Phys & Optoelect, Xiangtan 411105, Hunan, Peoples R China.
[Chen, Yuanping; Zhang, Shengbai] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA.
[Yang, Shengyuan A.] Singapore Univ Technol & Design, Res Lab Quantum Mat & EPD Pillar, Singapore 487372, Singapore.
[Pan, Hui] Beihang Univ, Dept Phys, Beijing 100191, Peoples R China.
[Zhang, Fan] Univ Texas Dallas, Dept Phys, Richardson, TX 75080 USA.
[Cohen, Marvin L.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Cohen, Marvin L.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Chen, YP (reprint author), Xiangtan Univ, Sch Phys & Optoelect, Xiangtan 411105, Hunan, Peoples R China.
EM chenyp@xtu.edu.cn; shengyuan_yang@sutd.edu.sg; zhang@utdallas.edu;
zhangs9@rpi.edu
RI Pan, Hui/F-1832-2011; Yang, Shengyuan/L-2848-2014
OI Yang, Shengyuan/0000-0001-6003-1501
FU National Natural Science Foundation of China [11474243, 51376005,
11204262]; UT Dallas research enhancement funds; NSF [DMR-10-1006184];
Lawrence Berkeley National Laboratory through the Office of Basic
Science, US DOE [DE-AC02-05CH11231]; US DOE [DE-SC0002623];
[SUTD-SRG-EPD2013062]
FX We thank H. Wang, D. West, and D. L. Deng for useful discussions. Y.C.
and Y.X. acknowledge support by the National Natural Science Foundation
of China (Nos. 11474243, 51376005 and 11204262). S.A.Y. acknowledges
support by funding SUTD-SRG-EPD2013062. F.Z. acknowledges support by UT
Dallas research enhancement funds. M.L.C. acknowledges support by NSF
Grant No. DMR-10-1006184, and the theory program at the Lawrence
Berkeley National Laboratory through the Office of Basic Science, US DOE
under Contract No. DE-AC02-05CH11231. S.Z. acknowledges support by US
DOE under Grant No. DE-SC0002623.
NR 55
TC 25
Z9 25
U1 20
U2 48
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 OCT
PY 2015
VL 15
IS 10
BP 6974
EP 6978
DI 10.1021/acs.nanolett.5b02978
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 CT7NZ
UT WOS:000363003100104
PM 26426355
ER
PT J
AU Luo, LL
Zhao, P
Yang, H
Liu, BR
Zhang, JG
Cui, Y
Yu, GH
Zhang, SL
Wang, CM
AF Luo, Langli
Zhao, Peng
Yang, Hui
Liu, Borui
Zhang, Ji-Guang
Cui, Yi
Yu, Guihua
Zhang, Sulin
Wang, Chong-Min
TI Surface Coating Constraint Induced Self-Discharging of Silicon
Nanoparticles as Anodes for Lithium Ion Batteries
SO NANO LETTERS
LA English
DT Article
DE Si anode; polymer coating; mechanical constraint; self-discharge
ID TRANSMISSION ELECTRON-MICROSCOPY; LONG CYCLE LIFE; ELECTROCHEMICAL
LITHIATION; CRYSTALLINE SILICON; COATED SILICON; SI; NANOWIRES;
PERFORMANCE; COMPOSITE; KINETICS
AB One of the key challenges of Si-based anodes for lithium ion batteries is the large volume change upon lithiation and delithiation, which commonly leads to electrochemi-mechanical degradation and subsequent fast capacity fading. Recent studies have shown that applying nanometer-thick coating layers on Si nanoparticle (SiNPs) enhances cyclability and capacity retention. However, it is far from clear how the coating layer function from the point of view of both surface chemistry and electrochemi-mechanical effect. Herein, we use in situ transmission electron microscopy to investigate the lithiation/delithiation kinetics of SiNPs coated with a conductive polymer, polypyrrole (PPy). We discovered that this coating layer can lead to "self-delithiation" or "self-discharging" at different stages of lithiation. We rationalized that the self-discharging is driven by the internal compressive stress generated inside the lithiated SiNPs due to the constraint effect of the coating layer. We also noticed that the critical size of lithiation-induced fracture of SiNPs is increased from similar to 150 nm for bare SiNPs to similar to 380 nm for the PPy-coated SiNPs, showing a mechanically protective role of the coating layer. These observations demonstrate both beneficial and detrimental roles of the surface coatings, shedding light on rational design of surface coatings for silicon to retain high-power and high capacity as anode for lithium ion batteries.
C1 [Luo, Langli; Wang, Chong-Min] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
[Zhao, Peng; Yang, Hui; Zhang, Sulin] Penn State Univ, Engn Sci & Mech & Bioengn, University Pk, PA 16801 USA.
[Liu, Borui; Yu, Guihua] Univ Texas Austin, Mat Sci & Engn Program, Austin, TX 78712 USA.
[Liu, Borui; Yu, Guihua] Univ Texas Austin, Dept Mech Engn, Austin, TX 78712 USA.
[Zhang, Ji-Guang] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA.
[Cui, Yi] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA.
[Cui, Yi] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA.
RP Yu, GH (reprint author), Univ Texas Austin, Mat Sci & Engn Program, Austin, TX 78712 USA.
EM ghyu@austin.utexas.edu; suz10@psu.edu; Chongmin.Wang@pnnl.gov
RI Zhang, Sulin /E-6457-2010; Luo, Langli/B-5239-2013; YANG,
HUI/H-6996-2012;
OI YANG, HUI/0000-0002-2628-4676; Luo, Langli/0000-0002-6311-051X
FU Office of Vehicle Technologies of the U.S. Department of Energy under
the Advanced Batteries Materials Research (BMR) [DE-AC02-05CH11231,
18769, DE-AC-36-08GO28308]; Laboratory Directed Research and Development
Program as part of the Chemical Imaging Initiative at Pacific Northwest
National Laboratory (PNNL); DOE's Office of Biological and Environmental
Research; DOE [DE-AC05-76RLO1830]; NSF-CMMI [0900692]; National Science
Foundation [CMMI-1537894]; 3M Nontenured Faculty Award
FX This work at PNNL and Stanford is supported by the Assistant Secretary
for Energy Efficiency and Renewable Energy, Office of Vehicle
Technologies of the U.S. Department of Energy under Contract No.
DE-AC02-05CH11231, Subcontract No. 18769 and DE-AC-36-08GO28308 under
the Advanced Batteries Materials Research (BMR). The in situ microscopic
study described in this paper is supported by the Laboratory Directed
Research and Development Program as part of the Chemical Imaging
Initiative at Pacific Northwest National Laboratory (PNNL). The work was
conducted in the William R. Wiley Environmental Molecular Sciences
Laboratory (EMSL), a national scientific user facility sponsored by
DOE's Office of Biological and Environmental Research and located at
PNNL. PNNL is operated by Battelle for the DOE under Contract
DE-AC05-76RLO1830. H.Y. and S.L.Z acknowledge the support by the
NSF-CMMI (Grant 0900692). G.Y. acknowledges the financial support from
National Science Foundation (CMMI-1537894) and 3M Nontenured Faculty
Award.
NR 46
TC 16
Z9 17
U1 34
U2 173
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 OCT
PY 2015
VL 15
IS 10
BP 7016
EP 7022
DI 10.1021/acs.nanolett.5b03047
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 CT7NZ
UT WOS:000363003100112
PM 26414120
ER
PT J
AU Jin, HE
Jang, J
Chung, J
Lee, HJ
Wang, E
Lee, SW
Chung, WJ
AF Jin, Hyo-Eon
Jang, Jaein
Chung, Jinhyo
Lee, Hee Jung
Wang, Eddie
Lee, Seung-Wuk
Chung, Woo-Jae
TI Biomimetic Self-Templated Hierarchical Structures of Collagen-Like
Peptide Amphiphiles
SO NANO LETTERS
LA English
DT Article
DE self-templating; biomimetic hierarchical structure; collagen-like
peptide amphiphile; nanofiber; liquid crystalline assembly; tissue
regeneration
ID MIMETIC PEPTIDE; LIQUID-CRYSTALS; BONE APATITE; IN-VITRO; NANOFIBERS;
NANOSTRUCTURES; REGENERATION; ORIENTATION; ASSEMBLIES; NUCLEATION
AB Developing hierarchically structured biomaterials with tunable chemical and physical properties like those found in nature is critically important to regenerative medicine and studies on tissue morphogenesis. Despite advances in materials synthesis and assembly processes, our ability to control hierarchical assembly using fibrillar biomolecules remains limited. Here, we developed a bioinspired approach to create collagen-like materials through directed evolutionary screening and directed self-assembly. We first synthesized peptide amphiphiles by coupling phage display-identified collagen-like peptides to long-chain fatty acids. We then assembled the amphiphiles into diverse, hierarchically organized, nanofibrous structures using directed self-assembly based on liquid crystal flow and its controlled deposition. The resulting structures sustained and directed the growth of bone cells and hydroxyapatite biominerals. We believe these self-assembling collagen-like amphiphiles could prove useful in the structural design of tissue regenerating materials.
C1 [Jin, Hyo-Eon; Lee, Hee Jung; Wang, Eddie; Lee, Seung-Wuk; Chung, Woo-Jae] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA.
[Jin, Hyo-Eon; Lee, Seung-Wuk; Chung, Woo-Jae] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Jang, Jaein; Chung, Jinhyo; Chung, Woo-Jae] Sungkyunkwan Univ, Coll Biotechnol & Bioengn, Dept Genet Engn, Suwon 440746, Gyeonggi Do, South Korea.
RP Lee, SW (reprint author), Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA.
EM leesw@berkeley.edu; wjchung@skku.edu
OI Wang, Eddie/0000-0002-9814-0102
FU National Science Foundation Early Career Development Award
[DMR-0747713]; U.S. Army Engineering Research Development Center
[W912HZ-11-2-0047]; Basic Science Research Program through the National
Research Foundation of Korea (NRP) - Ministry of Science, ICT AMP;
Future Planning [2015037593]
FX The authors gratefully acknowledge financial support from the National
Science Foundation Early Career Development Award (DMR-0747713)
(S.W.L.), U.S. Army Engineering Research Development Center
(W912HZ-11-2-0047) (S.W.L.), and the Basic Science Research Program
through the National Research Foundation of Korea (NRP) funded by the
Ministry of Science, ICT & Future Planning (2015037593). We also thank
K. Braam for the XPS analysis.
NR 46
TC 6
Z9 6
U1 25
U2 74
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD OCT
PY 2015
VL 15
IS 10
BP 7138
EP 7145
DI 10.1021/acs.nanolett.5b03313
PG 8
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CT7NZ
UT WOS:000363003100130
PM 26392232
ER
PT J
AU Lee, J
Brennan, MB
Wilton, R
Rowland, CE
Rozhkova, EA
Forrester, S
Hannah, DC
Carlson, J
Shevchenko, EV
Schabacker, DS
Schaller, RD
AF Lee, Joonseok
Brennan, Melissa B.
Wilton, Rosemarie
Rowland, Clare E.
Rozhkova, Elena A.
Forrester, Sara
Hannah, Daniel C.
Carlson, Julia
Shevchenko, Elena V.
Schabacker, Daniel S.
Schaller, Richard D.
TI Fast, Ratiometric FRET from Quantum Dot Conjugated Stabilized Single
Chain Variable Fragments for Quantitative Botulinum Neurotoxin Sensing
SO NANO LETTERS
LA English
DT Article
DE botulinum neurotoxin; FRET; protein sensor; scFv; quantum dot;
microarray
ID ENERGY-TRANSFER; MOLECULAR EVOLUTION; ESCHERICHIA-COLI; TOXIN;
TECHNOLOGIES; DIAGNOSTICS; ANTIBODIES; SEROTYPES; AFFINITY; DOMAIN
AB Botulinum neurotoxin (BoNT) presents a significant hazard under numerous realistic scenarios. The standard detection scheme for this fast-acting toxin is a lab-based mouse lethality assay that is sensitive and specific, but slow (similar to 2 days) and requires expert administration. As such, numerous efforts have aimed to decrease analysis time and reduce complexity. Here, we describe a sensitive ratiometric fluorescence resonance energy transfer scheme that utilizes highly photostable semiconductor quantum dot (QD) energy donors and chromophore conjugation to compact, single chain variable antibody fragments (scFvs) to yield a fast, fieldable sensor for BoNT with a 20-40 pM detection limit, toxin quantification, adjustable dynamic range, sensitivity in the presence of interferents, and sensing times as fast as 5 min. Through a combination of mutations, we achieve stabilized scFv denaturation temperatures of more than 60 degrees C, which bolsters fieldability. We also describe adaptation of the assay into a microarray format that offers persistent monitoring, reuse, and multiplexing.
C1 [Lee, Joonseok; Rowland, Clare E.; Rozhkova, Elena A.; Shevchenko, Elena V.; Schaller, Richard D.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
[Brennan, Melissa B.; Wilton, Rosemarie] Argonne Natl Lab, Biosci, Argonne, IL 60439 USA.
[Rowland, Clare E.; Hannah, Daniel C.; Schaller, Richard D.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
[Forrester, Sara; Schabacker, Daniel S.] Argonne Natl Lab, Global Secur Sci, Argonne, IL 60439 USA.
[Carlson, Julia] Univ Wisconsin, Coll Agr & Life Sci, Madison, WI 53706 USA.
RP Wilton, R (reprint author), Argonne Natl Lab, Biosci, Argonne, IL 60439 USA.
EM rwilton@anl.gov; schaller@anl.gov
FU U.S. Department of Energy, Office of Basic Energy Sciences
[DE-AC02-06CH11357]; U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences [DE-AC02-06CH11357]; Argonne National
Laboratory Director's Postdoctoral Fellowship; National Science
Foundation Graduate Research Fellowships [DGE-0824162]
FX This work was supported by the U.S. Department of Energy, Office of
Basic Energy Sciences under Contract No. DE-AC02-06CH11357. 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. J.L. was supported by an Argonne
National Laboratory Director's Postdoctoral Fellowship. C.E.R. and
D.C.H. acknowledge support by National Science Foundation Graduate
Research Fellowships under Grant No. DGE-0824162. We gratefully
acknowledge the late Dr. Fred Stevens for developing the antibody
stabilization approaches used in this work.
NR 29
TC 8
Z9 8
U1 7
U2 50
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 OCT
PY 2015
VL 15
IS 10
BP 7161
EP 7167
DI 10.1021/acs.nanolett.5b03442
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 CT7NZ
UT WOS:000363003100133
PM 26397120
ER
PT J
AU Zhang, ZY
Kenny, SJ
Hauser, M
Li, W
Xu, K
AF Zhang, Zhengyang
Kenny, Samuel J.
Hauser, Margaret
Li, Wan
Xu, Ke
TI Ultrahigh-throughput single-molecule spectroscopy and spectrally
resolved super-resolution microscopy
SO NATURE METHODS
LA English
DT Article
ID OPTICAL RECONSTRUCTION MICROSCOPY; FLUORESCENCE NANOSCOPY;
ROOM-TEMPERATURE; PROBES; FLUOROPHORES; STORM
AB By developing a wide-field scheme for spectral measurement and implementing photoswitching, we synchronously obtained the fluorescence spectra and positions of 106 single molecules in labeled cells in minutes, which consequently enabled spectrally resolved, 'true-color' super-resolution microscopy. The method, called spectrally resolved stochastic optical reconstruction microscopy (SR-STORM), achieved cross-talk free three-dimensional (3D) imaging for four dyes 10 nm apart in emission spectrum. Excellent resolution was obtained for every channel, and 3D localizations of all molecules were automatically aligned within one imaging path.
C1 [Zhang, Zhengyang; Kenny, Samuel J.; Hauser, Margaret; Li, Wan; Xu, Ke] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Zhang, Zhengyang; Xu, Ke] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
RP Xu, K (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM xuk@berkeley.edu
RI Xu, Ke/A-9476-2011; Li, Wan/H-1038-2016;
OI Xu, Ke/0000-0002-2788-194X; Li, Wan/0000-0001-5751-3550; Hauser,
Margaret/0000-0002-0911-8000
FU College of Chemistry at UC Berkeley; Lawrence Berkeley National
Laboratory
FX We thank S. Lee, A. Chiu and S. Moon for help in sample preparation and
M. Wojcik for discussion. This work was partly supported by the College
of Chemistry at UC Berkeley and the Lawrence Berkeley National
Laboratory.
NR 20
TC 15
Z9 15
U1 11
U2 45
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1548-7091
EI 1548-7105
J9 NAT METHODS
JI Nat. Methods
PD OCT
PY 2015
VL 12
IS 10
BP 935
EP 938
DI 10.1038/NMETH.3528
PG 4
WC Biochemical Research Methods
SC Biochemistry & Molecular Biology
GA CT3IE
UT WOS:000362699600020
PM 26280329
ER
PT J
AU Barad, BA
Echols, N
Wang, RYR
Cheng, Y
DiMaio, F
Adams, PD
Fraser, JS
AF Barad, Benjamin A.
Echols, Nathaniel
Wang, Ray Yu-Ruei
Cheng, Yifan
DiMaio, Frank
Adams, Paul D.
Fraser, James S.
TI EMRinger: side chain directed model and map validation for 3D
cryo-electron microscopy
SO NATURE METHODS
LA English
DT Article
ID CRYO-EM; ELECTRON CRYOMICROSCOPY; ROTAMER LIBRARY; ION-CHANNEL;
CRYSTALLOGRAPHY; RECONSTRUCTIONS; REFINEMENT; PROTEINS
AB Advances in high-resolution cryo-electron microscopy (cryo-EM) require the development of validation metrics to independently assess map quality and model geometry. We report EMRinger, a tool that assesses the precise fitting of an atomic model into the map during refinement and shows how radiation damage alters scattering from negatively charged amino acids. EMRinger (https://github.com/fraser-lab/EMRinger) will be useful for monitoring progress in resolving and modeling high-resolution features in cryo-EM.
C1 [Barad, Benjamin A.; Fraser, James S.] Univ Calif San Francisco, Dept Bioengn & Therapeut Sci, San Francisco, CA 94143 USA.
[Barad, Benjamin A.] Univ Calif San Francisco, Grad Grp Biophys, San Francisco, CA 94143 USA.
[Echols, Nathaniel; Adams, Paul D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Wang, Ray Yu-Ruei] Univ Washington, Grad Program Biol Phys Struct & Design, Seattle, WA 98195 USA.
[Wang, Ray Yu-Ruei; DiMaio, Frank] Univ Washington, Dept Biochem, Seattle, WA 98195 USA.
[Cheng, Yifan] Univ Calif San Francisco, Dept Biochem & Biophys, Keck Adv Microscopy Lab, San Francisco, CA 94143 USA.
[DiMaio, Frank] Inst Prot Design, Seattle, WA USA.
[Adams, Paul D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA.
RP Fraser, JS (reprint author), Univ Calif San Francisco, Dept Bioengn & Therapeut Sci, San Francisco, CA 94143 USA.
EM james.fraser@ucsf.edu
RI Adams, Paul/A-1977-2013;
OI Adams, Paul/0000-0001-9333-8219; Fraser, James/0000-0002-5080-2859
FU US National Institutes of Health (NIH) [T32GM008284]; US NIH [GM082893,
GM098672, GM082250, GM063210, 0D009180, GM110580]; Phenix Industrial
Consortium; US Department of Energy [DE-AC02-05CH11231]; Searle Scholar
award from the Kinship Foundation; Pew Scholar award from the Pew
Charitable Trusts; Packard Fellow award from the Lucille and David
Packard Foundation; US National Science Foundation [STC-1231306];
UCSF-SABRE Innovation grant
FX This work benefited from helpful discussions with D. Agard, D. Baker, E.
Green, C. Greenberg, A. Frost and S. Scheres. B.A.B. is supported by US
National Institutes of Health (NIH) training grant T32GM008284. Y.C. is
supported by US NIH grants GM082893, GM098672 and GM082250. N.E. and
P.D.A. are supported by US NIH grant GM063210, the Phenix Industrial
Consortium and, in part, by the US Department of Energy under contract
DE-AC02-05CH11231. J.S.F. is supported by a Searle Scholar award from
the Kinship Foundation, a Pew Scholar award from the Pew Charitable
Trusts, a Packard Fellow award from the Lucille and David Packard
Foundation, US NIH grants 0D009180 and GM110580, US National Science
Foundation grant STC-1231306 and a UCSF-SABRE Innovation grant.
NR 28
TC 17
Z9 17
U1 3
U2 9
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1548-7091
EI 1548-7105
J9 NAT METHODS
JI Nat. Methods
PD OCT
PY 2015
VL 12
IS 10
BP 943
EP 946
DI 10.1038/NMETH.3541
PG 4
WC Biochemical Research Methods
SC Biochemistry & Molecular Biology
GA CT3IE
UT WOS:000362699600022
PM 26280328
ER
PT J
AU Todhunter, ME
Jee, NY
Hughes, AJ
Coyle, MC
Cerchiari, A
Farlow, J
Garbe, JC
LaBarge, MA
Desai, TA
Gartner, ZJ
AF Todhunter, Michael E.
Jee, Noel Y.
Hughes, Alex J.
Coyle, Maxwell C.
Cerchiari, Alec
Farlow, Justin
Garbe, James C.
LaBarge, Mark A.
Desai, Tejal A.
Gartner, Zev J.
TI Programmed synthesis of three-dimensional tissues
SO NATURE METHODS
LA English
DT Article
ID ONCOGENIC K-RAS; BRANCHING MORPHOGENESIS; EPITHELIAL-CELLS;
ARCHITECTURE; CANCER; OLIGONUCLEOTIDES; ORGANIZATION; MIGRATION;
DYNAMICS; CULTURES
AB Reconstituting tissues from their cellular building blocks facilitates the modeling of morphogenesis, homeostasis and disease in vitro. Here we describe DNA-programmed assembly of cells (DPAC), a method to reconstitute the multicellular organization of organoid-like tissues having programmed size, shape, composition and spatial heterogeneity. DPAC uses dissociated cells that are chemically functionalized with degradable oligonucleotide 'Velcro', allowing rapid, specific and reversible cell adhesion to other surfaces coated with complementary DNA sequences. DNA-patterned substrates function as removable and adhesive templates, and layer-by-layer DNA-programmed assembly builds arrays of tissues into the third dimension above the template. DNase releases completed arrays of organoid-like microtissues from the template concomitant with full embedding in a variety of extracellular matrix (ECM) gels. DPAC positions subpopulations of cells with single-cell spatial resolution and generates cultures several centimeters long. We used DPAC to explore the impact of ECM composition, heterotypic cell-cell interactions and patterns of signaling heterogeneity on collective cell behaviors.
C1 [Todhunter, Michael E.; Jee, Noel Y.; Hughes, Alex J.; Coyle, Maxwell C.; Cerchiari, Alec; Farlow, Justin; Garbe, James C.; Gartner, Zev J.] Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94143 USA.
[Todhunter, Michael E.; Farlow, Justin; Gartner, Zev J.] Univ Calif San Francisco, Tetrad Grad Program, San Francisco, CA 94143 USA.
[Jee, Noel Y.; Desai, Tejal A.; Gartner, Zev J.] Univ Calif San Francisco, Chem & Chem Biol Grad Program, San Francisco, CA 94143 USA.
[Cerchiari, Alec; Desai, Tejal A.] Univ Calif San Francisco, Dept Bioengn & Therapeut Sci, San Francisco, CA 94143 USA.
[Cerchiari, Alec; Desai, Tejal A.; Gartner, Zev J.] Univ Calif Berkeley, Grad Program Bioengn, Berkeley, CA 94720 USA.
[Cerchiari, Alec; Desai, Tejal A.; Gartner, Zev J.] Univ Calif San Francisco, Berkeley, CA USA.
[Garbe, James C.; LaBarge, Mark A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
[Gartner, Zev J.] Univ Calif San Francisco, Ctr Syst & Synthet Biol, San Francisco, CA 94143 USA.
RP Gartner, ZJ (reprint author), Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94143 USA.
EM zev.gartner@ucsf.edu
OI Hughes, Alex/0000-0001-6801-3455
FU Department of Defense Breast Cancer Research Program [W81XWH-10-1-1023,
W81XWH-13-1-0221]; US National Institutes of Health common fund [DP2
HD080351-01]; Sidney Kimmel Foundation; US National Science Foundation
[MCB-1330864]; University of California, San Francisco; Center for
Systems and Synthetic Biology (National Institute of General Medical
Sciences Systems Biology Center) [P50 GM081879]; US Department of
Defense through the National Defense Science and Engineering program
FX The authors thank K. Monahan (University of California, San Francisco)
for providing CAD cells, B. Boldajipour and the members of the Krummel
lab (University of California, San Francisco) for providing bone marrow
dendritic cells, J. Liu (University of California, San Francisco) for
sharing MCF10A and derivative cell lines expressing H2B-fluorescent
proteins, C. Mosher for technical help with the Nano eNabler, and M.
Riel-Mehan for help with illustration. This work was supported by the
Department of Defense Breast Cancer Research Program (W81XWH-10-1-1023
and W81XWH-13-1-0221 to Z.J.G.); US National Institutes of Health common
fund (DP2 HD080351-01 to Z.J.G.); Sidney Kimmel Foundation; US National
Science Foundation (MCB-1330864 to Z.J.G.); and University of
California, San Francisco, Program in Breakthrough Biomedical Research.
Z.J.G. is supported by the University of California, San Francisco,
Center for Systems and Synthetic Biology (National Institute of General
Medical Sciences Systems Biology Center grant P50 GM081879). A.C. was
supported by the US Department of Defense through the National Defense
Science and Engineering program.
NR 34
TC 19
Z9 20
U1 13
U2 38
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1548-7091
EI 1548-7105
J9 NAT METHODS
JI Nat. Methods
PD OCT
PY 2015
VL 12
IS 10
BP 975
EP 981
DI 10.1038/NMETH.3553
PG 7
WC Biochemical Research Methods
SC Biochemistry & Molecular Biology
GA CT3IE
UT WOS:000362699600030
PM 26322836
ER
PT J
AU Sugama, T
Pyatina, T
Redline, E
McElhanon, J
Blankenship, D
AF Sugama, Toshifumi
Pyatina, Tatiana
Redline, Erica
McElhanon, James
Blankenship, Douglas
TI Degradation of different elastomeric polymers in simulated geothermal
environments at 300 degrees C
SO POLYMER DEGRADATION AND STABILITY
LA English
DT Article
DE Elastomer; FKM; FFKM; EPDM; FEPM; Thermal degradation; Chemical
degradation
ID DIENE MONOMER EPDM; THERMAL-DEGRADATION; FLUOROELASTOMER BEARINGS;
SILICONE RUBBERS; FUEL-CELL; POLYSILOXANE; PROPYLENE; OXIDATION; ACID;
COMPOSITE
AB This study evaluates the degradation of six different elastomeric polymers used for O-rings: EPDM, FEPM, type I- and II-FKM, FFKM, and FSR, in five different simulated geothermal environments at 300 degrees C: 1) non-aerated steam/cooling cycles, 2) aerated steam/cooling cycles, 3) water-based drilling fluid, 4) CO2-rich geo-brine fluid, and, 5) heat cool water quenching cycles. The factors assessed included the extent of oxidation, changes in thermal behavior, micro-defects, permeation of ionic species from the test environments into the O-rings, silicate-related scale-deposition, and changes in the O-rings' elastic modulus.
The reliability of the O-rings to maintain their integrity depended on the elastomeric polymer composition and the exposure environment. FSR disintegrated while EPDM was oxidized only to some degree in all the environments, FKM withstood heat-water quenching but underwent chemical degradation, FEPM survived in all the environments with the exception of heat-water quenching where it underwent severe oxidation-induced degradation, and FFKM displayed outstanding compatibility with all the tested environments. This paper discusses the degradation mechanisms of the polymers under the aforementioned conditions. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Sugama, Toshifumi; Pyatina, Tatiana] Brookhaven Natl Lab, Sustainable Energy Technol Dept, Upton, NY 11973 USA.
[Redline, Erica; McElhanon, James; Blankenship, Douglas] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Pyatina, T (reprint author), Brookhaven Natl Lab, Sustainable Energy Technol Dept, Upton, NY 11973 USA.
EM tpyatina@bnl.gov
FU Geothermal Technologies Office in the US Department of Energy (DOE)
Office of Energy Efficiency and Renewable Energy (EERE), under US DOE,
Washington, DC [DE-AC02-98CH 10886]; U.S. Department of Energy's
National Nuclear Security Administration [DE-AC04-94AL85000]
FX This publication was based on the work supported by the Geothermal
Technologies Office in the US Department of Energy (DOE) Office of
Energy Efficiency and Renewable Energy (EERE), under the auspices of the
US DOE, Washington, DC, under Contract No. DE-AC02-98CH 10886.; 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. We would like
to thank Nicholas Giron and Douglas Brunson for their assistance in
preparing samples for modulus profiling tests.
NR 37
TC 0
Z9 0
U1 5
U2 22
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 OCT
PY 2015
VL 120
BP 328
EP 339
DI 10.1016/j.polymdegradstab.2015.07.010
PG 12
WC Polymer Science
SC Polymer Science
GA CT6MJ
UT WOS:000362926800036
ER
PT J
AU Bradbury, AR
Pluckthun, A
AF Bradbury, Andrew R. M.
Plueckthun, Andreas
TI Getting to reproducible antibodies: the rationale for sequenced
recombinant characterized reagents
SO PROTEIN ENGINEERING DESIGN & SELECTION
LA English
DT Editorial Material
ID ANTI-DNA HYBRIDOMA; VALIDATION; PROTEINS; BINDING
C1 [Bradbury, Andrew R. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Plueckthun, Andreas] Univ Zurich, Dept Biochem, CH-8057 Zurich, Switzerland.
RP Bradbury, AR (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM amb@lanl.gov; plueckthun@bioc.uzh.ch
OI Bradbury, Andrew/0000-0002-5567-8172; Pluckthun,
Andreas/0000-0003-4191-5306
NR 21
TC 5
Z9 5
U1 0
U2 2
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 1741-0126
EI 1741-0134
J9 PROTEIN ENG DES SEL
JI Protein Eng. Des. Sel.
PD OCT
PY 2015
VL 28
IS 10
SI SI
BP 303
EP 305
DI 10.1093/protein/gzv051
PG 3
WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology
SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology
GA CT5GN
UT WOS:000362837000001
PM 26446960
ER
PT J
AU Pitarka, A
Al-Amri, A
Pasyanos, ME
Rodgers, AJ
Mellors, RJ
AF Pitarka, Arben
Al-Amri, Abdullah
Pasyanos, Michael E.
Rodgers, Arthur J.
Mellors, Robert J.
TI Long-Period Ground Motion in the Arabian Gulf from Earthquakes in the
Zagros Mountains Thrust Belt
SO PURE AND APPLIED GEOPHYSICS
LA English
DT Article
ID CRUSTAL STRUCTURE; UPPER-MANTLE; P-WAVE; PROPAGATION; PLATFORM;
ATTENUATION; SHIELD; MODEL; LG
AB The Arabian Gulf is adjacent to the Zagros Mountains, one of the most seismically active regions in the world. We observe that broadband seismic records of Zagros earthquakes recorded on the Arabian side of the Gulf display long-duration surface waves. While shorter periods (< 1 s) are attenuated from crossing the deep sediments (> 10 km) of the Gulf basin, the long-period energy is enhanced and transmitted efficiently. Consequently, large earthquakes in the Zagros could result in amplified ground motions at long periods (2-10 s) relative to average behavior. Such ground motions are of concern for large engineered structures, such as tall buildings and long bridges with resonant periods in the same period range. Here we present results of investigations of the characteristics of ground motions recorded on the western shore of the Gulf from selected earthquakes in the Zagros Mountains region. Exceptionally, long-duration seismic waves, as compared with standard models, are shown to occur with periods of 2-10 s. This may be due to waveguide effects in the deep sedimentary basin structure of the Arabian Platform. In addition to analyzing recorded ground motion we performed 3D wave propagation simulations using a finite difference method and experimental velocity models of the Gulf, with different shallow sedimentary layers structures. The simulation results confirm our hypothesis that long-period waves with extremely long duration and relatively large amplitudes are caused by the geometry of the basin sedimentary layers and, to some extent, by shallow earthquake depths. Combined effects of basin edge geometry with sharp velocity contrasts and shallow sources (< 10 km) on the eastern side of the Arabian Gulf can cause large long-period ground motion on the western side of the Gulf. In contrast, the short-period content of ground motion (< 2 s) at long distances is relatively weak. This is mainly due to wave propagation scattering and attenuation in the shallow sedimentary layers of the Gulf basin.
C1 [Pitarka, Arben; Pasyanos, Michael E.; Rodgers, Arthur J.; Mellors, Robert J.] Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Livermore, CA 94551 USA.
[Al-Amri, Abdullah] King Saud Univ, Dept Geol & Geophys, Riyadh 11451, Saudi Arabia.
RP Pitarka, A (reprint author), Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, 7000 East Ave,L-046,POB 808, Livermore, CA 94551 USA.
EM pitarka1@llnl.gov
RI Pasyanos, Michael/C-3125-2013; Mellors, Robert/K-7479-2014; pitarka,
arben/K-5491-2014
OI Mellors, Robert/0000-0002-2723-5163;
FU National Plan for Science, Technology, and Innovation at King Abdulaziz
City for Science and Technology (KACST), Saudi Arabia [09-INF945-02];
U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]
FX The authors would like express their gratitude to the National Plan for
Science, Technology, and Innovation at King Abdulaziz City for Science
and Technology (KACST), Saudi Arabia, for funding this project (Grant
No. 09-INF945-02). The authors would like to thank two anonymous
reviewers for their comments and suggestions which greatly improved the
clarity of the manuscript. Numerical simulations were performed on the
SIERRA and CAB Linux clusters operated by Livermore Computing Center.
This work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under Contract
DE-AC52-07NA27344. Some figures in this paper were drawn using Generic
Mapping Tools software package developed by WESSEL and SMITH (1998).
NR 32
TC 1
Z9 1
U1 2
U2 5
PU SPRINGER BASEL AG
PI BASEL
PA PICASSOPLATZ 4, BASEL, 4052, SWITZERLAND
SN 0033-4553
EI 1420-9136
J9 PURE APPL GEOPHYS
JI Pure Appl. Geophys.
PD OCT
PY 2015
VL 172
IS 10
BP 2517
EP 2532
DI 10.1007/s00024-014-0858-z
PG 16
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA CT3AW
UT WOS:000362679200003
ER
PT J
AU Pilania, G
Balachandran, PV
Gubernatis, JE
Lookman, T
AF Pilania, G.
Balachandran, P. V.
Gubernatis, J. E.
Lookman, T.
TI Classification of ABO(3) perovskite solids: a machine learning study
SO ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING
AND MATERIALS
LA English
DT Article
DE machine learning study; perovskites; bond valence; gradient tree
boosting classifier
ID CUBIC PEROVSKITES; LATTICE-CONSTANT; FORMABILITY; PREDICTION
AB We explored the use of machine learning methods for classifying whether a particular ABO(3) chemistry forms a perovskite or non-perovskite structured solid. Starting with three sets of feature pairs (the tolerance and octahedral factors, the A and B ionic radii relative to the radius of O, and the bond valence distances between the A and B ions from the O atoms), we used machine learning to create a hyper-dimensional partial dependency structure plot using all three feature pairs or any two of them. Doing so increased the accuracy of our predictions by 2-3 percentage points over using any one pair. We also included the Mendeleev numbers of the A and B atoms to this set of feature pairs. Doing this and using the capabilities of our machine learning algorithm, the gradient tree boosting classifier, enabled us to generate a new type of structure plot that has the simplicity of one based on using just the Mendeleev numbers, but with the added advantages of having a higher accuracy and providing a measure of likelihood of the predicted structure.
C1 [Pilania, G.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
[Balachandran, P. V.; Gubernatis, J. E.; Lookman, T.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Lookman, T (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM txl@lanl.gov
OI Pilania, Ghanshyam/0000-0003-4460-1572
FU Laboratory Directed Research and Development (LDRD) DR program on
Materials Informatics of the Los Alamos National Laboratory (LANL)
[20140013DR]
FX This work was supported by the Laboratory Directed Research and
Development (LDRD) DR program (#20140013DR) on Materials Informatics of
the Los Alamos National Laboratory (LANL).
NR 27
TC 7
Z9 7
U1 3
U2 27
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 OCT
PY 2015
VL 71
BP 507
EP 513
DI 10.1107/S2052520615013979
PN 5
PG 7
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA CT1HA
UT WOS:000362547700003
PM 26428400
ER
PT J
AU Jung, Y
Zhou, QL
Birkholzer, JT
AF Jung, Yoojin
Zhou, Quanlin
Birkholzer, Jens T.
TI On the detection of leakage pathways in geological CO2 storage systems
using pressure monitoring data: Impact of model parameter uncertainties
SO ADVANCES IN WATER RESOURCES
LA English
DT Article
DE Geological carbon storage; Risk assessment; Early leakage detection;
Pressure monitoring; Model parameter uncertainty
ID SEQUESTRATION SITES; ABANDONED WELLS; SALINE AQUIFERS; PILOT SITE; ZONE;
SCALE; KETZIN; BRINE; BASIN; TEMPERATURE
AB In this study, we examine the effect of model parameter uncertainties on the feasibility of detecting unknown leakage pathways from CO2 storage formations via inversion of pressure monitoring data, and discuss the strategies for enhancing detectability and reducing the impact of those uncertainties. We conduct a numerical study of leakage detection, using an idealized storage system consisting of a storage formation and an overlying aquifer separated by a caprock, with an injection well and a leaky well. Our uncertainty quantification analysis shows that (1) the anomalous leakage signals induced by the leaky well can be clearly detected in the overlying aquifer, with minimal impact of model parameter uncertainties, as long as the leaky well permeability is sufficiently large and the caprock permeability is small with the assumed aquifer and caprock thickness; and (2) the pressure monitoring data in the storage formation are not adequate for detecting leakage signals, because the model predictions can be significantly affected by the uncertainties of the model parameters (e.g., permeability and specific storativity of the storage formation and the overlying aquifer). Therefore, we propose an inverse-modeling methodology that combines leakage detection with model recalibration under conditions of model parameter uncertainties. Our results show that the combined leakage detection and model recalibration are most successful when pressure monitoring data from both the storage formation and the overlying aquifer are used, owing to the strong detectability in the overlying aquifer and the strong sensitivity of pressure in the storage formation to model parameters. The proposed methodology also shows that the effect of model uncertainties on leakage detection can be reduced by simultaneously estimating the leakage parameters and the uncertain model parameters, using long-term pressure data under various conditions of permeabilities and locations of the leaky well, and a wide range of uncertainties for the model parameters. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Jung, Yoojin; Zhou, Quanlin; Birkholzer, Jens T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Jung, Y (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron,MS 74R316C, Berkeley, CA 94720 USA.
EM yoojinjung@lbl.gov
RI Zhou, Quanlin/B-2455-2009; Birkholzer, Jens/C-6783-2011; Jung,
Yoojin/G-2519-2015
OI Zhou, Quanlin/0000-0001-6780-7536; Birkholzer, Jens/0000-0002-7989-1912;
FU Fossil Energy, Office of Sequestration, Hydrogen, and Clean Coal Fuels,
National Energy Technology Laboratory, of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX The authors wish to thank the three anonymous reviewers, as well as Dan
Hawkes of Lawrence Berkeley National Laboratory (LBNL), for their
careful review of the manuscript and the suggestion of improvements.
This work was funded by the Assistant Secretary for Fossil Energy,
Office of Sequestration, Hydrogen, and Clean Coal Fuels, National Energy
Technology Laboratory, of the U.S. Department of Energy, under Contract
No. DE-AC02-05CH11231.
NR 29
TC 1
Z9 1
U1 1
U2 13
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 OCT
PY 2015
VL 84
BP 112
EP 124
DI 10.1016/j.advwatres.2015.08.005
PG 13
WC Water Resources
SC Water Resources
GA CS7ZQ
UT WOS:000362305900010
ER
PT J
AU Rasmusson, M
Fagerlund, F
Tsang, Y
Rasmusson, K
Niemi, A
AF Rasmusson, Maria
Fagerlund, Fritjof
Tsang, Yvonne
Rasmusson, Kristina
Niemi, Auli
TI Prerequisites for density-driven instabilities and convective mixing
under broad geological CO2 storage conditions
SO ADVANCES IN WATER RESOURCES
LA English
DT Article
DE Carbon dioxide; CCS; Density-driven flow; Density instability;
Double-diffusive convection; Porous media
ID AQUEOUS NACL SOLUTIONS; DEEP SALINE AQUIFERS; SATURATED GEOTHERMAL
RESERVOIR; DIFFUSIVE NATURAL-CONVECTION; LONG-TERM STORAGE; NON-MODAL
GROWTH; POROUS-MEDIA; CARBON-DIOXIDE; DISSOLVED CO2; BOUNDARY-CONDITIONS
AB Direct atmospheric greenhouse gas emissions can be greatly reduced by CO2 sequestration in deep saline aquifers. One of the most secure and important mechanisms of CO2 trapping over large time scales is solubility trapping. In addition, the CO2 dissolution rate is greatly enhanced if density-driven convective mixing occurs. We present a systematic analysis of the prerequisites for density-driven instability and convective mixing over the broad temperature, pressure, salinity and permeability conditions that are found in geological CO2 storage. The onset of instability (Rayleigh-Darcy number, Ra), the onset time of instability and the steady convective flux are comprehensively calculated using a newly developed analysis tool that accounts for the thermodynamic and salinity dependence on solutally and thermally induced density change, viscosity, molecular and thermal diffusivity. Additionally, the relative influences of field characteristics are analysed through local and global sensitivity analyses. The results help to elucidate the trends of the Ra, onset time of instability and steady convective flux under field conditions. The impacts of storage depth and basin type (geothermal gradient) are also explored and the conditions that favour or hinder enhanced solubility trapping are identified. Contrary to previous studies, we conclude that the geothermal gradient has a non-negligible effect on density-driven instability and convective mixing when considering both direct and indirect thermal effects because cold basin conditions, for instance, render higher Ra compared to warm basin conditions. We also show that the largest Ra is obtained for conditions that correspond to relatively shallow depths, measuring approximately 800 m, indicating that CO2 storage at such depths favours the onset of density-driven instability and reduces onset times. However, shallow depths do not necessarily provide conditions that generate the largest steady convective fluxes; the salinity determines the storage depth at which the largest steady convective fluxes occur. Furthermore, we present a straight-forward and efficient procedure to estimate site-specific solutal Ra that accounts for thermodynamic and salinity dependence. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Rasmusson, Maria; Fagerlund, Fritjof; Rasmusson, Kristina; Niemi, Auli] Uppsala Univ, Dept Earth Sci, SE-75236 Uppsala, Sweden.
[Tsang, Yvonne] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Rasmusson, M (reprint author), Uppsala Univ, Dept Earth Sci, Villavagen 16, SE-75236 Uppsala, Sweden.
EM maria.rasmusson@geo.uu.se; fritjof.fagerlund@geo.uu.se; yttsang@lbl.gov;
kristina.rasmusson@geo.uu.se; auli.niemi@geo.uu.se
FU European Community's 7th Framework Programme MUSTANG and PANACEA
projects [227286, 282900]; Swedish Research Council (VR)
FX The authors would like to thank Shide Mao at the China University of
Geosciences for providing the FORTRAN source code to his viscosity model
[59] and Nicholas Spycher at Lawrence Berkeley National Laboratory for
providing the FORTRAN source code to his solubility model [48,49]. The
research that led to these results has received funding from the
European Community's 7th Framework Programme MUSTANG and PANACEA
projects (grant agreement numbers 227286 and 282900) and Swedish
Research Council (VR). The authors would like to thank the anonymous
reviewers for their reviews and constructive comments, which improved
this manuscript.
NR 79
TC 1
Z9 1
U1 0
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 OCT
PY 2015
VL 84
BP 136
EP 151
DI 10.1016/j.advwatres.2015.08.009
PG 16
WC Water Resources
SC Water Resources
GA CS7ZQ
UT WOS:000362305900012
ER
PT J
AU Xu, HW
Heaney, PJ
Yu, P
Xu, HF
AF Xu, Hongwu
Heaney, Peter J.
Yu, Ping
Xu, Huifang
TI Synthesis and structure of a stuffed derivative of alpha-quartz,
Mg0.5AlSiO4
SO AMERICAN MINERALOGIST
LA English
DT Article
DE Quartz; eucryptite; stuffed derivative; synthesis; crystal structure;
synchrotron X-ray diffraction; transmission electron microscopy; nuclear
magnetic resonance spectroscopy
ID BETA-EUCRYPTITE LIALSIO4; POWDER SYNCHROTRON XRD; MAS-NMR-SPECTROSCOPY;
THERMAL-EXPANSION; X-RAY; PHASE-TRANSITIONS; CRYSTAL-STRUCTURE; AVERAGE
STRUCTURE; SOLID-SOLUTION; TEMPERATURE
AB A structural derivative of quartz with the composition Mg0.5AlSiO4 has been grown from glass and characterized using synchrotron X-ray diffraction (XRD), transmission electron microscopy (TEM), and Si-29 nuclear magnetic resonance (NMR) spectroscopy. Rietveld analysis of the XRD data indicates that the framework of Mg0.5AlSiO4 is isostructural with alpha-quartz, rather than beta-quartz, as is consistent with previous theoretical modeling (Sternitzke and Muller 1991). Al and Si exhibit long-range disorder over the framework tetrahedral sites, indicated by the absence of the superlattice reflections corresponding to the doubling of c relative to that of quartz. Nevertheless, Si-29 NMR measurements show that Al and Si exhibit partial short-range order with an ordering degree of 56%. Electron diffraction reveals superlattice reflections indicative of doubled periodicities along the a-axes. Fourier electron density maps show that Mg occupies channel sites that each are bonded to six O atoms, in contrast to the tetrahedral coordination of Li in the beta-quartz-type framework for beta-eucryptite, LiAlSiO4. Furthermore, the concentrations of Mg in adjacent channels are different, resulting in framework distortions that generate the superstructures along a.
C1 [Xu, Hongwu] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA.
[Heaney, Peter J.] Penn State Univ, Dept Geosci, University Pk, PA 16802 USA.
[Yu, Ping] Univ Calif Davis, Nucl Magnet Resonance Facil, Davis, CA 95616 USA.
[Xu, Huifang] Univ Wisconsin, Dept Geosci, Madison, WI 53706 USA.
RP Xu, HW (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA.
EM hxu@lanl.gov
OI Xu, Hongwu/0000-0002-0793-6923
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-98CH10886]; NSF [EAR11-47728]; DOE [DE-AC52-06NA25396]
FX We are grateful to Michael Carpenter and an anonymous reviewer for their
helpful comments. We thank David Cox for assistance with synchrotron XRD
experiments. The experiments were carried out at the National
Synchrotron Light Source (NSLS), Brookhaven National Laboratory, which
was supported by the U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886.
We also acknowledge NSF grant EAR11-47728 and support from the
laboratory-directed research and development (LDRD) program of Los
Alamos National Laboratory, which is operated by Los Alamos National
Security LLC, under DOE Contract DE-AC52-06NA25396.
NR 44
TC 0
Z9 0
U1 1
U2 7
PU MINERALOGICAL SOC AMER
PI CHANTILLY
PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA
SN 0003-004X
EI 1945-3027
J9 AM MINERAL
JI Am. Miner.
PD OCT
PY 2015
VL 100
IS 10
BP 2191
EP 2198
DI 10.2138/am-2015-5303
PG 8
WC Geochemistry & Geophysics; Mineralogy
SC Geochemistry & Geophysics; Mineralogy
GA CT3GG
UT WOS:000362694600018
ER
PT J
AU Palaich, SEM
Heffern, RA
Watenphul, A
Knight, J
Kavner, A
AF Palaich, Sarah E. M.
Heffern, Robert A.
Watenphul, Anke
Knight, Jason
Kavner, Abby
TI High-pressure compressibility and phase stability of Mn-dolomite
(kutnohorite)
SO AMERICAN MINERALOGIST
LA English
DT Article
DE Carbonate; high-pressure; X-ray diffraction; dolomite; compressibility
ID DEEP CARBON-CYCLE; MAGNESITE
AB We measured the bulk modulus and phase stability of a natural Mn-dolomite, kutnohorite, to 19 GPa. At room temperature, kutnohorite is stable in the rhombohedral dolomite phase up to 19 GPa, with an isothermal bulk modulus of 85(6) GPa (K' = 4). The compressibility of kutnohorite is found to match well with both single and double carbonate trends with respect to bulk modulus and unit-cell volume. The thermoelastic properties measured in this study show that the Mn dolomite end-member fits well with the systematic of all the rhombohedral carbonates, both calcite (single carbonate) and dolomite (double carbonate) type.
C1 [Palaich, Sarah E. M.; Heffern, Robert A.; Watenphul, Anke; Kavner, Abby] Univ Calif Los Angeles, Dept Earth Planetary & Space Sci, Los Angeles, CA 90095 USA.
[Knight, Jason] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Palaich, SEM (reprint author), Univ Calif Los Angeles, Dept Earth Planetary & Space Sci, Los Angeles, CA 90095 USA.
EM Palaich@ucla.edu
FU DOE [DE-FG02-10ER16136, DE-AC02-05CH1231]; NSF [EAR-0969033]; COMPRES,
the Consortium for Materials Properties Research in Earth Sciences under
NSF [EAR 10-43050]
FX This work was funded in part by the DOE DE-FG02-10ER16136 and NSF
EAR-0969033. Portions of this work were performed at Beamline 12.2.2,
Advanced Light Source, Lawrence Berkeley National Laboratory, supported
by the Department of Energy under contract no. DE-AC02-05CH1231 and
COMPRES, the Consortium for Materials Properties Research in Earth
Sciences, under NSF Cooperative Agreement EAR 10-43050. We thank Marco
Merlini for conversations about high-pressure dolomite structures.
NR 20
TC 0
Z9 0
U1 1
U2 4
PU MINERALOGICAL SOC AMER
PI CHANTILLY
PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA
SN 0003-004X
EI 1945-3027
J9 AM MINERAL
JI Am. Miner.
PD OCT
PY 2015
VL 100
IS 10
BP 2242
EP 2245
DI 10.2138/am-2015-5095
PG 4
WC Geochemistry & Geophysics; Mineralogy
SC Geochemistry & Geophysics; Mineralogy
GA CT3GG
UT WOS:000362694600023
ER
PT J
AU Schonewill, PP
Daniel, RC
Shimskey, RW
Burns, CA
Billing, JM
Peterson, RA
AF Schonewill, Philip P.
Daniel, Richard C.
Shimskey, Rick W.
Burns, Carolyn A.
Billing, Justin M.
Peterson, Reid A.
TI Long-time performance of a stainless steel crossflow filter with
simulated Hanford tank waste
SO CHEMICAL ENGINEERING RESEARCH & DESIGN
LA English
DT Article
DE Crossflow filtration; Filter fouling; Solid-liquid separations;
Backpulsing
ID STATE PERMEATE FLUX; FILTRATION; MICROFILTRATION; ULTRAFILTRATION;
MECHANISMS; MODEL; REVERSIBILITY; DECLINE; SLUDGE
AB The long-time (>100 h of operation) flux was measured for a set of five tests where nuclear waste slurry simulant was separated and continuously recycled using a stainless steel cross-flow filter. The tests were conducted at various constant axial velocities and transmembrane pressures. In all five tests, the filter flux continued to decay at long times and did not reach a steady-state value. The long-time slope of the flux decay was unaffected by the axial velocity, but a larger transmembrane pressure resulted in a larger slope. Post-test examination of the filter did not show evidence of significant depth fouling. The experimental results are compared to theoretical predictions of the time to initiate cake formation and the time to reach steady-state predicted by models from the literature, both of which do not imply long-time phenomena would be expected. A more reasonable match between theory and experiment was achieved using a model based on the principles of dead-end filtration. (C) 2015 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.
C1 [Schonewill, Philip P.; Daniel, Richard C.; Shimskey, Rick W.; Burns, Carolyn A.; Billing, Justin M.; Peterson, Reid A.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Schonewill, PP (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN P7-25, Richland, WA 99352 USA.
EM philip.schonewill@pnnl.gov
RI Schonewill, Philip/E-6735-2010;
OI Schonewill, Philip/0000-0002-0838-3734; Peterson,
Reid/0000-0003-3368-1896; Billing, Justin/0000-0003-1442-8916
FU U.S. Department of Energy [DE-AC05-76RL01830]; U.S. Department of Energy
through the Office of Environmental Management
FX The authors gratefully acknowledge the contributions of PNNL staff
members Amanda Johnsen, Amanda Casella, Galen Brooks, Eugene Ngai, and
Rick Aaroe, who helped conduct the experiments described in this paper.
Brian Riley performed the microscopy presented in Fig. 9 and his
contribution is also appreciated. The work described in this article was
performed by Pacific Northwest National Laboratory which is operated by
Battelle for the U.S. Department of Energy under contract
DE-AC05-76RL01830. This work was funded by the U.S. Department of Energy
through the Office of Environmental Management.
NR 31
TC 0
Z9 0
U1 1
U2 9
PU INST CHEMICAL ENGINEERS
PI RUGBY
PA 165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND
SN 0263-8762
EI 1744-3563
J9 CHEM ENG RES DES
JI Chem. Eng. Res. Des.
PD OCT
PY 2015
VL 102
BP 69
EP 79
DI 10.1016/j.cherd.2015.06.016
PG 11
WC Engineering, Chemical
SC Engineering
GA CT2EV
UT WOS:000362615700007
ER
PT J
AU Duan, YH
Stinespring, CD
Chorpening, B
AF Duan, Yuhua
Stinespring, Charter D.
Chorpening, Benjamin
TI Electronic Structures, Bonding Configurations, and Band-Gap-Opening
Properties of Graphene Binding with Low-Concentration Fluorine
SO CHEMISTRYOPEN
LA English
DT Article
DE band-gap opening; DFT-D3; electronic structures; fluorine adsorption;
fluorine-doped graphene
ID GRAPHITE; DENSITY; FUNCTIONALIZATION; DYNAMICS
AB To better understand the effects of low-level fluorine in graphene-based sensors, first-principles density functional theory (DFT) with van der Waals dispersion interactions has been employed to investigate the structure and impact of fluorine defects on the electrical properties of single-layer graphene films. The results show that both graphite-2H and graphene have zero band gaps. When fluorine bonds to a carbon atom, the carbon atom is pulled slightly above the graphene plane, creating what is referred to as a C-F defect. The lowest-binding energy state is found to correspond to two C-F defects on nearest neighbor sites, with one fluorine above the carbon plane and the other below the plane. Overall this has the effect of buckling the graphene. The results further show that the addition of fluorine to graphene leads to the formation of an energy band (B-F) near the Fermi level, contributed mainly from the 2p orbitals of fluorine with a small contribution from the p orbitals of the carbon. Among the 11 binding configurations studied, our results show that only in two cases does the B-F serve as a conduction band and open a band gap of 0.37eV and 0.24eV respectively. The binding energy decreases with decreasing fluorine concentration due to the interaction between neighboring fluorine atoms. The obtained results are useful for sensor development and nanoelectronics.
C1 [Duan, Yuhua; Stinespring, Charter D.; Chorpening, Benjamin] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[Stinespring, Charter D.] W Virginia Univ, Dept Chem Engn, Morgantown, WV 25506 USA.
RP Duan, YH (reprint author), US DOE, Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA.
EM yuhua.duan@netl.doe.gov
NR 64
TC 2
Z9 2
U1 5
U2 31
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 2191-1363
J9 CHEMISTRYOPEN
JI ChemistryOpen
PD OCT
PY 2015
VL 4
IS 5
BP 642
EP 650
DI 10.1002/open.201500074
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA CT3FC
UT WOS:000362691600014
PM 26491645
ER
PT J
AU Asahina, D
Ito, K
Houseworth, JE
Birkholzer, JT
Bolander, JE
AF Asahina, D.
Ito, K.
Houseworth, J. E.
Birkholzer, J. T.
Bolander, J. E.
TI Simulating the Poisson effect in lattice models of elastic continua
SO COMPUTERS AND GEOTECHNICS
LA English
DT Article
DE Discrete methods; Lattice elements; Poisson effect; Elasticity; Stress
tensor
ID NUMERICAL-SIMULATION; PARTICLE MODEL; BRITTLE ROCKS; FRACTURE; FAILURE;
DAMAGE; COMPRESSION; COMPOSITES; MECHANICS
AB Lattice models provide discontinuous approximations of the displacement field over the computational domain, which facilitates the modeling of fracture and other discontinuous phenomena. By discretizing the domain with two-node elements, however, ordinary lattice models cannot simulate the Poisson effect in a local (intra-element) sense, which is problematic for some types of analyses. Furthermore, such methods are limited in the range of Poisson ratio values that can be simulated. We present a new approach to remedy such known, yet underappreciated, shortcomings of lattice models. In this approach, the Poisson effect is modeled through the introduction of fictitious stresses into a regular lattice. Capabilities of the new approach are demonstrated through compressive test simulations of homogeneous and heterogeneous materials. The simulation results are compared with theory and those of continuum finite element models. The comparisons show good agreement for arbitrary Poisson ratios (including nu >= 1/3) with respect to nodal displacement, intra-element stress, and nodal stress. This form of discrete method, supplemented by the proposed fictitious measures of stress, retains the simplicity of collections of two-node elements. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Asahina, D.; Ito, K.] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki 3058567, Japan.
[Houseworth, J. E.; Birkholzer, J. T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Bolander, J. E.] Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA.
RP Asahina, D (reprint author), Natl Inst Adv Ind Sci & Technol, Higashi 1-1-1,Cent 7, Tsukuba, Ibaraki 3058567, Japan.
EM d-asahina@aist.go.jp
RI Birkholzer, Jens/C-6783-2011
OI Birkholzer, Jens/0000-0002-7989-1912
NR 38
TC 3
Z9 3
U1 5
U2 14
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0266-352X
EI 1873-7633
J9 COMPUT GEOTECH
JI Comput. Geotech.
PD OCT
PY 2015
VL 70
BP 60
EP 67
DI 10.1016/j.compgeo.2015.07.013
PG 8
WC Computer Science, Interdisciplinary Applications; Engineering,
Geological; Geosciences, Multidisciplinary
SC Computer Science; Engineering; Geology
GA CT2CN
UT WOS:000362609700006
ER
PT J
AU Kim, J
Miller, BJ
Shontz, SM
AF Kim, Jibum
Miller, Brian J.
Shontz, Suzanne M.
TI A hybrid mesh deformation algorithm using anisotropic PDEs and
multiobjective mesh optimization
SO COMPUTERS & MATHEMATICS WITH APPLICATIONS
LA English
DT Article
DE Deforming domain; Moving mesh; Mesh warping; Finite element method; Mesh
optimization; Anisotropy
ID QUALITY IMPROVEMENT
AB We propose a hybrid mesh deformation algorithm which uses the direction of the boundary deformation to determine the positions of the interior mesh vertices in the deformed mesh. Our goal is to produce meshes on deformed domains which maintain mesh 'similar' element shape and possess no inverted elements. The hybrid mesh deformation algorithm consists of two steps, anisotropic finite element-based mesh warping (FEMWARP) followed by multiobjective mesh optimization. The first step estimates the interior vertex positions on the deformed mesh using the boundary deformation to choose appropriate partial differential equation (PDE) coefficients in the anisotropic FEMWARP method. As a second step, we find the local optimal mesh with no inverted elements on the deformed domain by employing multiobjective mesh optimization with one term controlling element shape and a second term designed to untangle inverted elements. Numerical results show that our hybrid algorithm outperforms existing mesh deformation algorithms in terms of mesh quality and number of inverted elements and is able to preserve 'similar' element shape on the deformed domain while eliminating inverted elements on the deformed domain. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Kim, Jibum] Incheon Natl Univ, Dept Comp Sci & Engn, Inchon 406772, South Korea.
[Miller, Brian J.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA.
[Shontz, Suzanne M.] Univ Kansas, Dept Elect Engn & Comp Sci, Informat & Telecommun Technol Ctr, Bioengn Grad Program, Lawrence, KS 66045 USA.
RP Kim, J (reprint author), Incheon Natl Univ, Dept Comp Sci & Engn, Inchon 406772, South Korea.
EM jibumkim@incheon.ac.kr; bjmiller@llnl.gov; shontz@ku.edu
OI Shontz, Suzanne/0000-0002-4874-0812
FU NSF CAREER Award [OCI-1054459, ACI-1500487, ACI-1330054]; US Department
of Energy by Lawrence Livermore National Laboratory [W-7405-Eng-48
(UCRL-JRNL-224370)]; Basic Science Research Program through the National
Research Foundation of Korea (NRF) - Ministry of Science, ICT & Future
Planning [NRF-2014R1A1A1036677]; NSF [CNS-0720749]
FX The work of the first author was funded in part by NSF CAREER Award
OCI-1054459 and a grant under the auspices of the US Department of
Energy by Lawrence Livermore National Laboratory under contract No.
W-7405-Eng-48 (UCRL-JRNL-224370). The first author was supported by
Basic Science Research Program through the National Research Foundation
of Korea (NRF) funded by the Ministry of Science, ICT & Future Planning
(NRF-2014R1A1A1036677).; The work of the second author was funded by the
auspices of the US Department of Energy by Lawrence Livermore National
Laboratory under contract No. W-7405-Eng-48 (UCRL-JRNL-224370). The work
of the third author was supported in part by NSF grants CNS-0720749 and
NSF CAREER Award ACI-1500487 (formerly ACI-1330054 and OCI-1054459).
NR 30
TC 1
Z9 2
U1 1
U2 4
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0898-1221
EI 1873-7668
J9 COMPUT MATH APPL
JI Comput. Math. Appl.
PD OCT
PY 2015
VL 70
IS 8
BP 1830
EP 1851
DI 10.1016/j.camwa.2015.08.008
PG 22
WC Mathematics, Applied
SC Mathematics
GA CT2DA
UT WOS:000362611000008
ER
PT J
AU Kim, T
Kim, J
Choi, KJ
Yoo, SC
Kim, S
Kim, JH
AF Kim, Taeho
Kim, Jongjin
Choi, Kyoung Joon
Yoo, Seung Chang
Kim, Seunghyun
Kim, Ji Hyun
TI Phase transformation of oxide film in zirconium alloy in high
temperature hydrogenated water
SO CORROSION SCIENCE
LA English
DT Article
DE Alloy; Zirconium; Raman spectroscopy; TEM; Oxidation
ID METAL WELD INTERFACES; PWR PRIMARY WATER; DISSOLVED HYDROGEN; TETRAGONAL
ZIRCONIA; MODIFIED ZIRCALOY-4; NB ALLOYS; DEGREES-C; Y-TZP; CORROSION;
OXIDATION
AB The effect of the variation of the dissolved hydrogen concentration on the oxide phase transformation under high-temperature hydrogenated water conditions was investigated using in situ Raman spectroscopy. The Raman spectrum in 50 cm(3)/kg of dissolved hydrogen concentration indicated the formation of monoclinic and tetragonal zirconium oxide at the water-substrate interface. As the dissolved hydrogen concentration decreased to 30 cm(3)/kg, the Raman peaks corresponding to the zirconium oxide phase changed, indicating an oxide phase transformation. And, the results of SEM and TEM analyses were compared with those of in situ analyses obtained for the oxide structure formed on the zirconium alloy. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Kim, Taeho; Choi, Kyoung Joon; Yoo, Seung Chang; Kim, Seunghyun; Kim, Ji Hyun] UNIST, Sch Mech & Nucl Engn, Ulsan 689798, South Korea.
[Kim, Jongjin] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA.
RP Kim, JH (reprint author), UNIST, Sch Mech & Nucl Engn, 50 UNIST Gil, Ulsan 689798, South Korea.
EM kimjh@unist.ac.kr
RI Kim, Ji Hyun/F-5704-2010
OI Kim, Ji Hyun/0000-0002-3984-0686
FU International Collaborative Energy Technology RD Program
[20138530030010]; Nuclear Power Core Technology Development Program of
the Korea Institute of Energy Technology Evaluation and Planning (KETEP)
- Ministry of Trade Industry and Energy [2012T100201562]
FX This work was financially supported by the International Collaborative
Energy Technology R&D Program (No. 20138530030010), and by the Nuclear
Power Core Technology Development Program (No. 2012T100201562) of the
Korea Institute of Energy Technology Evaluation and Planning (KETEP)
which is funded by the Ministry of Trade Industry and Energy.
NR 60
TC 3
Z9 3
U1 2
U2 17
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0010-938X
EI 1879-0496
J9 CORROS SCI
JI Corrosion Sci.
PD OCT
PY 2015
VL 99
BP 134
EP 144
DI 10.1016/j.corsci.2015.06.034
PG 11
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CT2GL
UT WOS:000362619900011
ER
PT J
AU Hurley, JH
AF Hurley, James H.
TI ESCRTs are everywhere
SO EMBO JOURNAL
LA English
DT Review
DE exosome; exovesicle; nuclear envelope reformation; plasma membrane wound
repair; shedding microvesicle
ID EXTRACELLULAR VESICLES; MULTIVESICULAR BODIES; ENDOSOME FUNCTION;
MEMBRANE FISSION; STRUCTURAL BASIS; PLASMA-MEMBRANE; SORTING COMPLEX;
CELL-DIVISION; PROTEIN; TSG101
AB The ESCRT proteins are an ancient system that buds membranes and severs membrane necks from their inner face. Three "classical" functions of the ESCRTs have dominated research into these proteins since their discovery in 2001: the biogenesis of multivesicular bodies in endolysosomal sorting; the budding of HIV-1 and other viruses from the plasma membrane of infected cells; and the membrane abscission step in cytokinesis. The past few years have seen an explosion of novel functions: the biogenesis of microvesicles and exosomes; plasma membrane wound repair; neuron pruning; extraction of defective nuclear pore complexes; nuclear envelope reformation; plus-stranded RNA virus replication compartment formation; and micro- and macroautophagy. Most, and perhaps all, of the functions involve the conserved membrane-neck-directed activities of the ESCRTs, revealing a remarkably widespread role for this machinery through a broad swath of cell biology.
C1 [Hurley, James H.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA.
[Hurley, James H.] Univ Calif Berkeley, Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA.
[Hurley, James H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
RP Hurley, JH (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA.
EM jimhurley@berkeley.edu
FU National Institutes of Health [R01AI112442]
FX I thank A. Johnson for making the figures and the members of my
laboratory for many stimulating discussions. Work on the ESCRTs in the
Hurley laboratory is supported by National Institutes of Health grant
R01AI112442. The author declares that he has no conflict of interest.
NR 75
TC 53
Z9 55
U1 5
U2 38
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0261-4189
EI 1460-2075
J9 EMBO J
JI Embo J.
PD OCT 1
PY 2015
VL 34
IS 19
BP 2398
EP 2407
DI 10.15252/embj.201592484
PG 10
WC Biochemistry & Molecular Biology; Cell Biology
SC Biochemistry & Molecular Biology; Cell Biology
GA CT0BD
UT WOS:000362457800006
PM 26311197
ER
PT J
AU Chen, J
Kumar, R
AF Chen, Jun
Kumar, Ratnesh
TI Fault Detection of Discrete-Time Stochastic Systems Subject to Temporal
Logic Correctness Requirements
SO IEEE TRANSACTIONS ON AUTOMATION SCIENCE AND ENGINEERING
LA English
DT Article
DE Bayesian filtering; cyberphysical systems; diagnosability; fault
detection; linear-time temporal logic; stochastic hybrid systems
ID HYBRID SYSTEMS; EVENT SYSTEMS; RUNTIME VERIFICATION; FAILURE DIAGNOSIS;
DETECTION FILTER; BY-WIRE; DIAGNOSABILITY; SPECIFICATIONS; LTL
AB This paper studies the fault detection of discrete-time stochastic systems with linear-time temporal logic (LTL) as correctness requirement-A fault is a violation of LTL specification. The temporal logic allows system correctness properties to be specified compactly and in a user-friendly manner (being close to natural-languages), and supports automatic translation into other formal models such as automata. We introduce the notion of input-output stochastic hybrid automaton (I/O-SHA) and show that the refinement of a continuous physical system (modeled as stochastic difference equations) against a certain class of LTL correctness requirement can be modeled as an I/O-SHA. The refinement preserves the behaviors of the physical system and also captures requirement-violation as a reachability property. Probability distribution over the discrete locations of hybrid system is estimated recursively by computing the distributions for continuous variables for each discrete location. This is then used to compute the likelihood of fault, a statistic that we employ for the purpose of fault detection. The performance of the detection scheme is measured in terms of false alarm (FA) and missed detection (MD) rates, and the condition for the existence of a detector to achieve any desired rates of FA and MD is captured in form of Stochastic-Diagnosability, a notion that we introduce in this paper for stochastic hybrid systems. The proposed method of fault detection is illustrated by a practical example.
C1 [Chen, Jun; Kumar, Ratnesh] Iowa State Univ, Dept Elect & Comp Engn, Ames, IA 50011 USA.
RP Chen, J (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA.
EM junchen@iastate.edu; rkumar@iastate.edu
RI Chen, Jun/H-4506-2011
OI Chen, Jun/0000-0002-0934-8519
FU National Science Foundation [Frant NSF-ECCS-0801763, NSF-ECCS-0926029,
NSF-CCF-1331390]
FX The work was supported in part by the National Science Foundation under
the Frant NSF-ECCS-0801763, Grant NSF-ECCS-0926029, and Grant
NSF-CCF-1331390. The work of J. Chen was performed while he was with
Iowa State University.
NR 40
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 1545-5955
EI 1558-3783
J9 IEEE T AUTOM SCI ENG
JI IEEE Trans. Autom. Sci. Eng.
PD OCT
PY 2015
VL 12
IS 4
BP 1369
EP 1379
DI 10.1109/TASE.2015.2453193
PG 11
WC Automation & Control Systems
SC Automation & Control Systems
GA CS8SJ
UT WOS:000362358500021
ER
PT J
AU Ikeda, S
Horioka, K
Okamura, M
AF Ikeda, Shunsuke
Horioka, Kazuhiko
Okamura, Masahiro
TI Investigation of the Tail of a Fe Plasma Plume Passing Through
Solenoidal Magnetic Field for a Laser Ion Source
SO IEEE TRANSACTIONS ON PLASMA SCIENCE
LA English
DT Article; Proceedings Paper
CT 5th Euro-Asian Pulsed Power Conference (EAPPC)
CY SEP 08-12, 2014
CL Kumamoto, JAPAN
DE Ion sources; laser ablation; magnetic fields; plasmas
ID FUSION; BEAM
AB To control the plasma flux of a laser ion source for a desired beam profile, we investigated the influence of a quasi-static magnetic field generated by a solenoidal coil on the tail of an Fe ablation plasma. We observed that the magnetic field converged the outer plasma and almost did not affect the inner plasma when the plasma drifted through the field region. The convergence points of the outer plasma depended on the longitudinal velocity. The results indicate that diamagnetic current was induced in the outer plasma, and therefore, the outer plasma received the converging force and the magnetic field in the inner region was excluded by the plasma intrusion. The results also mean that we have to consider the magnetic effect on the transverse distribution of plasma flux to minimize the emittance growth and obtain desirable beam optics.
C1 [Ikeda, Shunsuke; Horioka, Kazuhiko] Tokyo Inst Technol, Dept Energy Sci, Yokohama, Kanagawa 2268502, Japan.
[Ikeda, Shunsuke] RIKEN, Nishina Ctr Accelerator Based Sci, Wako, Saitama 3510198, Japan.
[Okamura, Masahiro] Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA.
RP Ikeda, S (reprint author), Tokyo Inst Technol, Dept Energy Sci, Yokohama, Kanagawa 2268502, Japan.
EM ikeda.s.ae@m.titech.ac.jp; khorioka@es.titech.ac.jp; okamura@bnl.gov
NR 14
TC 2
Z9 2
U1 0
U2 7
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 OCT
PY 2015
VL 43
IS 10
BP 3456
EP 3460
DI 10.1109/TPS.2015.2421284
PN 1
PG 5
WC Physics, Fluids & Plasmas
SC Physics
GA CT4UW
UT WOS:000362803800018
ER
PT J
AU Figueiredo, B
Tsang, CF
Rutqvist, J
Niemi, A
AF Figueiredo, Bruno
Tsang, Chin-Fu
Rutqvist, Jonny
Niemi, Auli
TI A study of changes in deep fractured rock permeability due to coupled
hydro-mechanical effects
SO INTERNATIONAL JOURNAL OF ROCK MECHANICS AND MINING SCIENCES
LA English
DT Article
DE Stress-dependent permeability; Fractured rock; Tension failure regions;
Flow paths
ID STRESS-DEPENDENT PERMEABILITY; FLUID-FLOW; VALIDITY; MASSES
AB This paper presents a numerical study of the hydro-mechanical behaviour of a fractured rock domain at 1000 m depth below the land surface as a function of different levels of fluid pore pressure. A 2D fractured rock domain is adopted based on data obtained from outcrop mapping, displaying multiple fracture sets, fracture intersections, dead-end and curved fractures. A continuum based numerical model is used to evaluate the effects of compressive boundary stresses, cracking by tension failure in the intact rock and fractures and shear displacement along fractures on its equivalent permeability. Two in situ stress boundary conditions are considered: an isotropic case SR1 with the two horizontal boundary compressive stresses having the same magnitude, and an anisotropic case SR2 with the ratio between these compressive stress components set to be 2. In the SR2 case, changes in the local stress and stress ratio distributions due to different fluid pore pressure levels are anisotropic and more significant than in the SR1 case, because of tension failures in the intact rock forming bridges between fractures. These failure regions opened new flow connections between fractures and thereby caused important anisotropic changes in the flow paths, and significant decrease in local gradients of fluid pore pressure. The equivalent permeability increases sharply when the fluid pore pressure is approximately 90% of the magnitude of the minimum stress at the boundaries of the fractured rock domain. Results show that the equivalent permeability of the fractured rock domain is most sensitive to the fractures normal stiffness, the permeability of the tension failure regions and the power-law exponent for permeability change. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Figueiredo, Bruno; Tsang, Chin-Fu; Niemi, Auli] Uppsala Univ, Uppsala, Sweden.
[Tsang, Chin-Fu; Rutqvist, Jonny] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Figueiredo, B (reprint author), Uppsala Univ, Uppsala, Sweden.
EM bruno.figueiredo@geo.uu.se
RI Rutqvist, Jonny/F-4957-2015; Figueiredo, Bruno/L-4611-2016
OI Rutqvist, Jonny/0000-0002-7949-9785;
FU Swedish Geological Survey (SGU) [1724]; U.S. Department of Energy
[DE-AC02-05CH11231]
FX The authors gratefully acknowledge the comments of the two reviewers,
including those of Ki-Bok Min. We also would like to thank the Swedish
Geological Survey (SGU), grant number 1724, for providing financial
support to research reported in this paper. Additional support was
provided by the U.S. Department of Energy under contract No.
DE-AC02-05CH11231.
NR 27
TC 2
Z9 2
U1 4
U2 27
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 OCT
PY 2015
VL 79
BP 70
EP 85
DI 10.1016/j.ijrmms.2015.08.011
PG 16
WC Engineering, Geological; Mining & Mineral Processing
SC Engineering; Mining & Mineral Processing
GA CT2BG
UT WOS:000362606400008
ER
PT J
AU Heberle, FA
Anghel, VNP
Katsaras, J
AF Heberle, Frederick A.
Anghel, Vinicius N. P.
Katsaras, John
TI Scattering from phase-separated vesicles. I. An analytical form factor
for multiple static domains
SO JOURNAL OF APPLIED CRYSTALLOGRAPHY
LA English
DT Article
DE bilayer phases; lipid raft; liquid ordered; liquid disordered;
nanodomains
ID SMALL-ANGLE NEUTRON; X-RAY-SCATTERING; LATERALLY HETEROGENEOUS VESICLES;
LIPID-BILAYER MIXTURES; UNILAMELLAR VESICLES; CONTRAST VARIATION;
MODULATED PHASES; MODEL; MEMBRANES; DSPC/DOPC/POPC/CHOL
AB This is the first in a series of papers considering elastic scattering from laterally heterogeneous lipid vesicles containing multiple domains. Unique among biophysical tools, small-angle neutron scattering can in principle give detailed information about the size, shape and spatial arrangement of domains. A general theory for scattering from laterally heterogeneous vesicles is presented, and the analytical form factor for static domains with arbitrary spatial configuration is derived, including a simplification for uniformly sized round domains. The validity of the model, including series truncation effects, is assessed by comparison with simulated data obtained from a Monte Carlo method. Several aspects of the analytical solution for scattering intensity are discussed in the context of small-angle neutron scattering data, including the effect of varying domain size and number, as well as solvent contrast. The analysis indicates that effects of domain formation are most pronounced when the vesicle's average scattering length density matches that of the surrounding solvent.
C1 [Heberle, Frederick A.; Katsaras, John] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA.
[Anghel, Vinicius N. P.] Canadian Nucl Labs, Chalk River, ON K0J 1J0, Canada.
[Katsaras, John] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA.
[Katsaras, John] Oak Ridge Natl Lab, Joint Inst Neutron Sci, Oak Ridge, TN 37831 USA.
[Katsaras, John] Brock Univ, Dept Phys, St Catharines, ON L2S 3A1, Canada.
RP Heberle, FA (reprint author), Oak Ridge Natl Lab, Biol & Soft Matter Div, POB 2008, Oak Ridge, TN 37831 USA.
EM heberlefa@ornl.gov; vinicius.anghel@cnl.ca
OI Katsaras, John/0000-0002-8937-4177; Anghel, Vinicius Nicolae
Petre/0000-0003-0604-4701
FU Scientific User Facilities Division of the DOE Office of Basic Energy
Sciences (BES) [DE-AC05-00OR2275]
FX JK and FAH are supported through the Scientific User Facilities Division
of the DOE Office of Basic Energy Sciences (BES) under contract No.
DE-AC05-00OR2275.
NR 59
TC 2
Z9 2
U1 4
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 OCT
PY 2015
VL 48
BP 1391
EP 1404
DI 10.1107/S160057671501362X
PN 5
PG 14
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA CT0QA
UT WOS:000362500100005
ER
PT J
AU Dejoie, C
Tamura, N
Kunz, M
Goudeau, P
Sciau, P
AF Dejoie, Catherine
Tamura, Nobumichi
Kunz, Martin
Goudeau, Philippe
Sciau, Philippe
TI Complementary use of monochromatic and white-beam X-ray
micro-diffraction for the investigation of ancient materials
SO JOURNAL OF APPLIED CRYSTALLOGRAPHY
LA English
DT Article
DE cultural heritage materials; Laue microdiffraction; powder
microdiffraction; grain size; residual strain
ID THIN-FILMS; LAUE MICRODIFFRACTION; SOUTHERN FRANCE; ELASTIC STRAIN;
SYNCHROTRON; HEMATITE; ALUMINUM; MICROSTRUCTURE; PIGMENTS; SCIENCE
AB Archaeological artefacts are often heterogeneous materials where several phases coexist in a wide grain size distribution. Most of the time, retrieving structure information at the micrometre scale is of great importance for these materials. Particularly, the organization of different phases at the micrometre scale is closely related to optical or mechanical properties, manufacturing processes, functionalities in ancient times and long-term conservation. Between classic X-ray powder diffraction with a millimetre beam and transmission electron microscopy, a gap exists and structure and phase information at the micrometre scale are missing. Using a micrometre-size synchrotron X-ray beam, a hybrid approach combining both monochromatic powder micro-diffraction and Laue single-crystal micro-diffraction was deployed to obtain information from nanometre- and micrometre-size phases, respectively. Therefore providing a way to bridge the aforementioned gap, this unique methodology was applied to three different types of ancient materials that all show a strong heterogeneity. In Roman terra sigillata, the specific distribution of nanocrystalline hematite is mainly responsible for the deep-red tone of the slip, while the distribution of micrometre-size quartz in ceramic bodies reflects the change of manufacturing process between pre-sigillata and high-quality sigillata periods. In the second example, we investigated the modifications occurring in Neolithic and geological flints after a heating process. By separating the diffracted signal coming from the nano-and the micrometre scale, we observed a domain size increase for nanocrystalline quartz in geological flints and a relaxation of the residual strain in larger detritic quartz. Finally, through the study of a Roman iron nail, we showed that the carburation process to strengthen the steel was mainly a surface process that formed 10-20 mm size domains of single-crystal ferrite and nanocrystalline cementite.
C1 [Dejoie, Catherine] ETH, Lab Crystallog, CH-8093 Zurich, Switzerland.
[Tamura, Nobumichi; Kunz, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Goudeau, Philippe] Univ Poitiers, ENSMA, CNRS, Inst Pprime, F-86960 Futuroscope, France.
[Sciau, Philippe] Univ Toulouse, CNRS, CEMES, F-31055 Toulouse, France.
RP Sciau, P (reprint author), Univ Toulouse, CNRS, CEMES, 29 Rue J Marvig, F-31055 Toulouse, France.
EM philippe.sciau@cemes.fr
FU 'Conseil Regional de Midi-Pyrenees' [08005556-2]; Office of Science,
Office of Basic Energy Sciences of the US Department of Energy
[DE-AC02-05CH11231]; [ANR-09-BLAN-0324-01 ProMiTraSil]
FX The authors thank V. Lea, F. Dabosi, A. Vernhet and M. Passelac for the
archaeological specimens, and Dr Z. Liu ( ShanghaiTech University,
China) for helpful discussions and suggestions. This work was supported
by the programme ANR-09-BLAN-0324-01 ProMiTraSil, the 'Conseil Regional
de Midi-Pyrenees', under contract No. 08005556-2 and the Director,
Office of Science, Office of Basic Energy Sciences of the US Department
of Energy, who is operating ALS under contract No. DE-AC02-05CH11231.
NR 58
TC 4
Z9 4
U1 6
U2 30
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 OCT
PY 2015
VL 48
BP 1522
EP 1533
DI 10.1107/S1600576715014983
PN 5
PG 12
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA CT0QA
UT WOS:000362500100017
ER
PT J
AU De la Mora, E
Flores-Hernandez, E
Jakoncic, J
Stojanoff, V
Siliqi, D
Sanchez-Puig, N
Moreno, A
AF De la Mora, Eugenio
Flores-Hernandez, Edith
Jakoncic, Jean
Stojanoff, Vivian
Siliqi, Dritan
Sanchez-Puig, Nuria
Moreno, Abel
TI SdsA polymorph isolation and improvement of their crystal quality using
nonconventional crystallization techniques
SO JOURNAL OF APPLIED CRYSTALLOGRAPHY
LA English
DT Article
DE SdsA; nonconventional protein crystallization methods; gel growth;
magnetic fields; polyvinyl alcohol
ID GLUCOSE-ISOMERASE; GROWTH; SCATTERING; CONTACTS; PACKING; TEMPERATURE;
INTERFACES; HYDROGELS; PROGRAM; SYSTEM
AB SdsA, a sodium dodecyl sulfate hydrolase, from Pseudomonas aeruginosa was crystallized in three different crystal polymorphs and their three-dimensional structure was determined. The different polymorphs present different crystal packing habits. One of the polymorphs suggests the existence of a tetramer, an oligomeric state not observed previously, while the crystal packing of the remaining two polymorphs obstructs the active site entrance but stabilizes flexible regions of the protein. Nonconventional crystallization methods that minimize convection, such as counterdiffusion in polyvinyl alcohol gel coupled with the influence of a 500 MHz (10.2 T) magnetic field, were necessary to isolate the poorest diffracting polymorph and increase its internal order to determine its structure by X-ray diffraction. The results obtained show the effectiveness of nonconventional crystallographic methods to isolate different crystal polymorphs.
C1 [De la Mora, Eugenio; Flores-Hernandez, Edith; Sanchez-Puig, Nuria; Moreno, Abel] Univ Nacl Autonoma Mexico, Inst Quim, Dept Quim Biomacromol, Mexico City 04510, DF, Mexico.
[Jakoncic, Jean; Stojanoff, Vivian] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA.
[Siliqi, Dritan] CNR, Ist Cristallog, I-70122 Bari, Italy.
RP Sanchez-Puig, N (reprint author), Univ Nacl Autonoma Mexico, Inst Quim, Dept Quim Biomacromol, Ave Univ 3000,Ciudad Univ, Mexico City 04510, DF, Mexico.
EM nuriasp@unam.mx; carcamo@unam.mx
FU CONACYT [167359, 175924]; DGAPA PAPIIT [IT200215]; UNAM-DGAPA; DOE
[GM-0080, DE-AC02-98CH10886]
FX NSP acknowledges financial support from CONACYT project No. 167359. AM
acknowledges CONACYT project No. 175924 and DGAPA PAPIIT IT200215. EM
acknowledges a postdoctoral fellowship from UNAM-DGAPA. X-ray
diffraction experiments were carried out at the National Synchrotron
Light Source supported by NIGMS and DOE under contracts GM-0080 and
DE-AC02-98CH10886. We also appreciate the availability of beam time for
data collection at beamline 19BM at the Advanced Photon Source.
NR 38
TC 2
Z9 2
U1 3
U2 6
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 OCT
PY 2015
VL 48
BP 1551
EP 1559
DI 10.1107/S1600576715016556
PN 5
PG 9
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA CT0QA
UT WOS:000362500100020
ER
PT J
AU Shukla, KK
Phanikumar, DV
Kumar, KN
Reddy, K
Kotamarthi, VR
Newsom, RK
Ouarda, TBMJ
AF Shukla, K. K.
Phanikumar, D. V.
Kumar, K. Niranjan
Reddy, Kishore
Kotamarthi, V. R.
Newsom, Rob K.
Ouarda, Taha B. M. J.
TI Wave like signatures in aerosol optical depth and associated radiative
impacts over the central Himalayan region
SO JOURNAL OF ATMOSPHERIC AND SOLAR-TERRESTRIAL PHYSICS
LA English
DT Article
DE Doppler Lidar; GVAX; Aerosol optical depth; Aerosol radiative forcing
ID GRAVITY-WAVES; BOUNDARY-LAYER; ATMOSPHERE; ABSORPTION; TRANSPORT; SITE
AB Doppler Lidar and Multi-Filter Rotating Shadowband Radiometer (MFRSR) observations are utilized to show wave like signatures in aerosol optical depth (ACID) during daytime boundary layer evolution over the Himalayan region. Fourier analysis depicted 60-80 min periods dominant during afternoon hours, implying that observed modulations could be plausible reason for the AOD forenoon-afternoon asymmetry which was previously reported. Inclusion of wave amplitude in diurnal variation of aerosol radiative forcing estimates showed 40% additional warming in the atmosphere relative to mean AOD. The present observations emphasize the importance of wave induced variations in AOD and radiation budget over the site. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Shukla, K. K.; Phanikumar, D. V.] Aryabhatta Res Inst Observat Sci, Naini Tal, India.
[Shukla, K. K.] Pt Ravishankar Shukla Univ, Raipur, Chhattisgarh, India.
[Phanikumar, D. V.; Kumar, K. Niranjan; Ouarda, Taha B. M. J.] Masdar Inst Sci & Technol, Inst Ctr Water & Environm, Abu Dhabi, U Arab Emirates.
[Reddy, Kishore] Yogi Vemana Univ, Dept Phys, Kadapa, India.
[Kotamarthi, V. R.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Newsom, Rob K.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Ouarda, Taha B. M. J.] INRS ETE, Quebec City, PQ, Canada.
RP Phanikumar, DV (reprint author), Aryabhatta Res Inst Observat Sci, Naini Tal, India.
EM astrophani@gmail.com
RI Niranjan Kumar, Kondapalli/M-1116-2013;
OI Niranjan Kumar, Kondapalli/0000-0003-0313-8542; Kotamarthi, Veerabhadra
Rao/0000-0002-2612-7590
FU Aryabhatta Research Institute of Observational Sciences (ARIES)
FX Ganges Valley Aerosol Experiment (GVAX) was a collaborative effort
between the US Department of Energy Atmospheric Radiation Measurement
Program, the Indian Institute of Science (IISC) and the Indian Space
Research Organization (ISRO). We thank the Director of the Aryabhatta
Research Institute of Observational Sciences (ARIES) for providing the
necessary support.
NR 33
TC 0
Z9 0
U1 0
U2 3
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1364-6826
EI 1879-1824
J9 J ATMOS SOL-TERR PHY
JI J. Atmos. Sol.-Terr. Phys.
PD OCT
PY 2015
VL 133
BP 62
EP 66
DI 10.1016/j.jastp.2015.08.001
PG 5
WC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences
SC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences
GA CT2CZ
UT WOS:000362610900007
ER
PT J
AU Lo, J
Zheng, TY
Olson, DG
Ruppertsberger, N
Tripathi, SA
Tian, L
Guss, AM
Lynd, LR
AF Lo, Jonathan
Zheng, Tianyong
Olson, Daniel G.
Ruppertsberger, Natalie
Tripathi, Shital A.
Tian, Liang
Guss, Adam M.
Lynd, Lee R.
TI Deletion of nfnAB in Thermoanaerobacterium saccharolyticum and Its
Effect on Metabolism (vol 197, pg 2920, 2015)
SO JOURNAL OF BACTERIOLOGY
LA English
DT Correction
C1 [Lo, Jonathan; Zheng, Tianyong; Lynd, Lee R.] Dartmouth Coll, Dept Biol Sci, Hanover, NH 03755 USA.
[Olson, Daniel G.; Ruppertsberger, Natalie; Tian, Liang; Lynd, Lee R.] Dartmouth Coll, Thayer Sch Engn, Hanover, NH 03755 USA.
[Tripathi, Shital A.] Total New Energies USA Inc, Emeryville, CA USA.
[Guss, Adam M.; Lynd, Lee R.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA.
[Lo, Jonathan; Zheng, Tianyong; Olson, Daniel G.; Ruppertsberger, Natalie; Tian, Liang; Guss, Adam M.; Lynd, Lee R.] BioEnergy Sci Ctr, Oak Ridge, TN USA.
RP Lo, J (reprint author), Dartmouth Coll, Dept Biol Sci, Hanover, NH 03755 USA.
NR 1
TC 0
Z9 0
U1 0
U2 3
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 OCT
PY 2015
VL 197
IS 20
BP 3367
EP 3367
DI 10.1128/JB.00688-15
PG 1
WC Microbiology
SC Microbiology
GA CT1LA
UT WOS:000362558600014
PM 26381190
ER
PT J
AU Sabnis, KD
Akatay, MC
Cui, YR
Sollberger, FG
Stach, EA
Miller, JT
Delgass, WN
Ribeiro, FH
AF Sabnis, Kaiwalya D.
Akatay, M. Cem
Cui, Yanran
Sollberger, Fred G.
Stach, Eric A.
Miller, Jeffrey T.
Delgass, W. Nicholas
Ribeiro, Fabio H.
TI Probing the active sites for water-gas shift over Pt/molybdenum carbide
using multi-walled carbon nanotubes
SO JOURNAL OF CATALYSIS
LA English
DT Article
DE Molybdenum carbide; Platinum; Water-gas shift; MWCNT; STEM-EELS; XAS
ID MODIFIED MOLYBDENUM CARBIDE; CATALYSTS; SELECTIVITY; SURFACES
AB Pt/Mo2C is known to have water-gas shift (WGS) rate per total mole of Pt that is higher than on any oxide-supported Pt catalyst. The difficulties for the characterization of Pt/Mo2C were overcome by preparing the carbide using Multi-Walled Carbon Nanotubes (MWCNT), which showed the expected kinetics. X-ray absorption spectroscopy confirmed formation of alloy with Mo and STEM-EELS data confirmed the elemental composition of Pt particles as Pt-Mo for a series of Pt/Mo2C/MWCNT catalysts. A linear correlation is obtained between the WGS rate per gram at 120 degrees C and the area covered by Pt-Mo alloy nanoparticles on Mo2C, estimated using STEM images. Pt is shown to preferentially bind to the Mo2C domains. The kinetic data in tandem with the characterization techniques suggest that the active sites are formed by Pt-Mo alloy nanoparticles in contact with Mo2C, not by the formation of the alloy. The water activation on Mo2C is suggested to be the cause for the higher WGS rate over Pt/Mo2C. (C) 2015 Elsevier Inc. All rights reserved.
C1 [Sabnis, Kaiwalya D.; Cui, Yanran; Sollberger, Fred G.; Miller, Jeffrey T.; Delgass, W. Nicholas; Ribeiro, Fabio H.] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA.
[Akatay, M. Cem] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA.
[Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Miller, Jeffrey T.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Ribeiro, FH (reprint author), Purdue Univ, Sch Chem Engn, 480 Stadium Mall Dr, W Lafayette, IN 47907 USA.
EM fabio@purdue.edu
RI Stach, Eric/D-8545-2011
OI Stach, Eric/0000-0002-3366-2153
FU U.S. Department of Energy, Office of Basic Energy Sciences
[DE-FG02-03ER15466, DE-AC02-06CH11357, DE-AC02-98CH10886]; U.S.
Department of Energy, Office of Science [DE-AC02-06CH11357]
FX Support for this research was provided by the U.S. Department of Energy,
Office of Basic Energy Sciences, through the Catalysis Science Grant No.
DE-FG02-03ER15466. Use of the Advanced Photon Source is supported by the
U.S. Department of Energy, Office of Science, and Office of Basic Energy
Sciences, under Contract DE-AC02-06CH11357. MRCAT operations are
supported by the Department of Energy and the MRCAT member institutions.
Scanning transmission electron microscopy was carried out at the Center
for Functional Nanomaterials, Brookhaven National Laboratory, which is
supported by the U.S. Department of Energy, Office of Basic Energy
Sciences, under Contract No. DE-AC02-98CH10886.
NR 17
TC 5
Z9 5
U1 15
U2 64
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 OCT
PY 2015
VL 330
BP 442
EP 451
DI 10.1016/j.jcat.2015.07.032
PG 10
WC Chemistry, Physical; Engineering, Chemical
SC Chemistry; Engineering
GA CT2AA
UT WOS:000362603200041
ER
PT J
AU Rauscher, SA
Jiang, XY
Steiner, A
Williams, AP
Cai, DM
McDowell, NG
AF Rauscher, Sara A.
Jiang, Xiaoyan
Steiner, Allison
Williams, A. Park
Cai, D. Michael
McDowell, Nathan G.
TI Sea Surface Temperature Warming Patterns and Future Vegetation Change
SO JOURNAL OF CLIMATE
LA English
DT Article
DE South America; Tropics; Vegetation-atmosphere interactions; Spring
season
ID AMAZONIAN FOREST DIEBACK; CARBON-CYCLE FEEDBACKS; CLIMATE-CHANGE; GLOBAL
VEGETATION; TROPICAL PRECIPITATION; DYNAMIC VEGETATION; PLANT GEOGRAPHY;
MODEL; DROUGHT; LAND
AB Recent modeling studies of future vegetation change suggest the potential for large-scale forest die-off in the tropics. Taken together with observational evidence of increasing tree mortality in numerous ecosystem types, there is clearly a need for projections of vegetation change. To that end, the authors have performed an ensemble of climate-vegetation experiments with the National Science Foundation-DOE Community Atmosphere Model (CAM) coupled to the Community Land Model (CAM-CLM-CN) with its dynamic vegetation model enabled (CAM-CLM-CNDV). To overcome the limitations of using a single model, the authors employ the sea surface temperature (SST) warming patterns simulated by eight different models from the Coupled Model Intercomparison Program phase 3 (CMIP3) as boundary conditions. Since the SST warming pattern in part dictates how precipitation may change in the future, in this way a range of future vegetation-climate trajectories can be produced.
On an annual average basis, this study's CAM-CLM-CN simulations do not produce as large a spread in projected precipitation as the original CMIP3 archive. These differences are due to the tendency of CAM-CLM-CN to increase tropical precipitation under a global warming scenario, although this response is modulated by the SST warming patterns imposed. However, the CAM-CLM-CN simulations reproduce the enhanced dry season in the tropics simulated by CMIP3. These simulations show longer fire seasons and increases in fractional area burned. In one ensemble member, extreme droughts over tropical South America lead to fires that remove vegetation cover in the eastern Amazon, suggesting that large-scale die-offs are an unlikely but still possible event.
C1 [Rauscher, Sara A.] Univ Delaware, Dept Geog, Newark, DE 19716 USA.
[Jiang, Xiaoyan] Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80307 USA.
[Steiner, Allison] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA.
[Williams, A. Park] Columbia Univ, Lamont Doherty Earth Observ, Palisades, NY USA.
[Cai, D. Michael] Los Alamos Natl Lab, Intelligence & Space Res Div, Los Alamos, NM USA.
[McDowell, Nathan G.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA.
RP Rauscher, SA (reprint author), Univ Delaware, Dept Geog, 219 Pearson Hall, Newark, DE 19716 USA.
EM rauscher@udel.edu
RI Williams, Park/B-8214-2016; Steiner, Allison/F-4942-2011
OI Williams, Park/0000-0001-8176-8166;
FU Los Alamos National Laboratory LDRD; DOE Office of Science (BER);
University Corporation for Atmospheric Research under sponsorship of
National Science Foundation
FX We thank three anonymous reviewers for their comments, which greatly
helped to improve the content and presentation of this manuscript. We
thank A. T. Hoang and S. Levis for their help with obtaining CMIP3 data
and CLM4 initial data files. We thank S. Levis, D. Lawrence, and A.
Giannini for helpful discussions. Los Alamos National Laboratory LDRD
and DOE Office of Science (BER) provided funding for this project. The
National Center for Atmospheric Research (NCAR) is operated by the
University Corporation for Atmospheric Research under sponsorship of the
National Science Foundation.
NR 56
TC 0
Z9 0
U1 4
U2 24
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 OCT
PY 2015
VL 28
IS 20
BP 7943
EP 7961
DI 10.1175/JCLI-D-14-00528.1
PG 19
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CT2VF
UT WOS:000362661800003
ER
PT J
AU Yoo, C
Park, S
Kim, D
Yoon, JH
Kim, HM
AF Yoo, Changhyun
Park, Sungsu
Kim, Daehyun
Yoon, Jin-Ho
Kim, Hye-Mi
TI Boreal Winter MJO Teleconnection in the Community Atmosphere Model
Version 5 with the Unified Convection Parameterization
SO JOURNAL OF CLIMATE
LA English
DT Article
DE Circulation; Dynamics; Madden-Julian oscillation; Teleconnections;
Models and modeling; Convective parameterization; General circulation
models
ID MADDEN-JULIAN OSCILLATION; NORTH-ATLANTIC OSCILLATION; CLIMATE MODELS;
INTRASEASONAL VARIABILITY; SIMULATION DIAGNOSTICS; CIRCULATION
ANOMALIES; PART I; PRECIPITATION; TEMPERATURE; PATTERNS
AB The Madden-Julian oscillation (MJO), the dominant mode of tropical intraseasonal variability, influences weather and climate in the extratropics through atmospheric teleconnection. In this study, two simulations using the Community Atmosphere Model version 5 (CAM5)one with the default shallow and deep convection schemes and the other with the unified convection scheme (UNICON)are employed to examine the impacts of cumulus parameterizations on the simulation of the boreal wintertime MJO teleconnection in the Northern Hemisphere. It is demonstrated that the UNICON substantially improves the MJO teleconnection. When the UNICON is employed, the simulated circulation anomalies associated with the MJO better resemble the observed counterpart, compared to the simulation with the default convection schemes. Quantitatively, the pattern correlation for the 300-hPa geopotential height anomalies between the simulations and observation increases from 0.07 for the default schemes to 0.54 for the UNICON. These circulation anomalies associated with the MJO further help to enhance the surface air temperature and precipitation anomalies over North America, although room for improvement is still evident. Initial value calculations suggest that the realistic MJO teleconnection with the UNICON is not due to the changes in the background wind, but rather primarily to the improved tropical convective heating associated with the MJO.
C1 [Yoo, Changhyun] Ewha Womans Univ, Dept Atmospher Sci & Engn, Seoul 120750, South Korea.
[Park, Sungsu] Seoul Natl Univ, Sch Earth & Environm Sci, Seoul, South Korea.
[Kim, Daehyun] Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA.
[Yoon, Jin-Ho] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Kim, Hye-Mi] SUNY Stony Brook, Sch Marine & Atmospher Sci, Stony Brook, NY 11794 USA.
RP Yoo, C (reprint author), Ewha Womans Univ, Dept Atmospher Sci & Engn, 353 Engn Bldg,52 Ewhayeodae Gil, Seoul 120750, South Korea.
EM cyoo@ewha.ac.kr
FU Ewha Womans University; Korea Meteorological Administration Research and
Development Program [KMIPA 2015-6110, CATER 2013-3142]; NASA
[NNX13AM18G]; Office of Science of the U.S. Department of Energy;
Department of Energy [DEAC05-76RLO1830]; National Science Foundation
FX CY was supported by the Ewha Womans University Research Grant of 2015
and by the Korea Meteorological Administration Research and Development
Program under Grant KMIPA 2015-6110. DK was supported by the NASA Grant
NNX13AM18G and the Korea Meteorological Administration Research and
Development Program under Grant CATER 2013-3142. J.-H. Yoon is supported
by the Office of Science of the U.S. Department of Energy. PNNL is
operated for the Department of Energy by Battelle Memorial Institute
under Contract DEAC05-76RLO1830. The CESM project is supported by the
National Science Foundation and the Office of Science of the U.S.
Department of Energy. We thank two anonymous reviewers for their
constructive comments and suggestions.
NR 53
TC 0
Z9 0
U1 3
U2 7
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 OCT
PY 2015
VL 28
IS 20
BP 8135
EP 8150
DI 10.1175/JCLI-D-15-0022.1
PG 16
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CT2VF
UT WOS:000362661800015
ER
PT J
AU Kravitz, B
MacMartin, DG
Rasch, PJ
Jarvis, AJ
AF Kravitz, Ben
MacMartin, Douglas G.
Rasch, Philip J.
Jarvis, Andrew J.
TI A New Method of Comparing Forcing Agents in Climate Models
SO JOURNAL OF CLIMATE
LA English
DT Article
DE Physical Meteorology and Climatology; Climate sensitivity; Feedback;
Forcing; Radiative forcing; Models and modeling; Coupled models
ID MEAN SURFACE-TEMPERATURE; CONTROL PERSPECTIVE; CO2; SENSITIVITY;
ADJUSTMENT; FEEDBACKS; CMIP5
AB The authors describe a new method of comparing different climate forcing agents (e.g., CO2 concentration, CH4 concentration, and total solar irradiance) in climate models that circumvents many of the difficulties associated with explicit calculations of efficacy. This is achieved by introducing an explicit feedback loop external to a climate model that adjusts one forcing agent to balance another while keeping global-mean surface temperature constant. The convergence time of this feedback loop can be adjusted, allowing for comparisons of forcing agents to be achieved with relatively short simulations. Comparisons between forcing agents are highly linear in concordance with predicted scaling relationships; for example, the global-mean climate response to a doubling of the CO2 concentration is equivalent to that of a 2.1% change in total solar irradiance. This result is independent of the magnitude of the forcing agent (within the range of radiative forcings considered here) and is consistent across two different climate models.
C1 [Kravitz, Ben; Rasch, Philip J.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[MacMartin, Douglas G.] CALTECH, Dept Comp & Math Sci, Pasadena, CA 91125 USA.
[Jarvis, Andrew J.] Univ Lancaster, Lancaster Environm Ctr, Lancaster, England.
RP Kravitz, B (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, POB 999,MSIN K9-30, Richland, WA 99352 USA.
EM ben.kravitz@pnnl.gov
RI MacMartin, Douglas/A-6333-2016
OI MacMartin, Douglas/0000-0003-1987-9417
FU Fund for Innovative Climate and Energy Research (FICER); U.S. Department
of Energy by Battelle Memorial Institute [DE-AC05-76RL01830]; NASA
High-End Computing (HEC) Program through the NASA Center for Climate
Simulation (NCCS) at Goddard Space Flight Center; Engineering and
Physical Sciences Research Council (EPSRC) [EP/I014721/1]
FX We thank the climate physics group in the Atmospheric Sciences and
Global Change Division at Pacific Northwest National Laboratory for
helpful discussions and comments. In particular, we thank Karthik
Balaguru, Susannah M. Burrows, Jennifer Comstock, Yang Gao, Steve Ghan,
Po-Lun Ma, Yun Qian, Beat Schmid, Balwinder Singh, Steve Smith, and
Jin-Ho Yoon. We also thank three anonymous reviewers for their helpful
comments. Ben Kravitz is supported by the Fund for Innovative Climate
and Energy Research (FICER). The Pacific Northwest National Laboratory
is operated for the U.S. Department of Energy by Battelle Memorial
Institute under Contract DE-AC05-76RL01830. Resources supporting this
work were provided by the NASA High-End Computing (HEC) Program through
the NASA Center for Climate Simulation (NCCS) at Goddard Space Flight
Center. Andrew Jarvis was supported by Engineering and Physical Sciences
Research Council (EPSRC) Grant EP/I014721/1.
NR 39
TC 3
Z9 3
U1 2
U2 8
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0894-8755
EI 1520-0442
J9 J CLIMATE
JI J. Clim.
PD OCT
PY 2015
VL 28
IS 20
BP 8203
EP 8218
DI 10.1175/JCLI-D-14-00663.1
PG 16
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CT2VF
UT WOS:000362661800020
ER
PT J
AU Licavoli, JJ
Gao, MC
Sears, JS
Jablonski, PD
Hawk, JA
AF Licavoli, Joseph J.
Gao, Michael C.
Sears, John S.
Jablonski, Paul D.
Hawk, Jeffrey A.
TI Microstructure and Mechanical Behavior of High-Entropy Alloys
SO JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE
LA English
DT Article
DE deformation; FCC crystal structure; fracture; high-entropy alloys;
microstructure; tensile properties
ID TENSILE PROPERTIES; PHASE-STABILITY; DEFORMATION; EVOLUTION
AB High-entropy alloys (HEAs) have generated interest in recent years due to their unique positioning within the alloy world. By incorporating a number of elements in high proportion, usually of equal atomic percent, they have high configurational entropy, and thus, they hold the promise of interesting and useful properties such as enhanced strength and alloy stability. The present study investigates the mechanical behavior, fracture characteristics, and microstructure of two single-phase FCC HEAs CoCrFeNi and CoCrFeNiMn with some detailed attention given to melting, homogenization, and thermo-mechanical processing. Ingots approaching 8 kg in mass were made by vacuum induction melting to avoid the extrinsic factors inherent to small-scale laboratory button samples. A computationally based homogenization heat treatment was given to both alloys in order to eliminate any solidification segregation. The alloys were then fabricated in the usual way (forging, followed by hot rolling) with typical thermo-mechanical processing parameters employed. Transmission electron microscopy was subsequently used to assess the single-phase nature of the alloys prior to mechanical testing. Tensile specimens (ASTM E8) were prepared with tensile mechanical properties obtained from room temperature through 800 A degrees C. Material from the gage section of selected tensile specimens was extracted to document room and elevated temperature deformation within the HEAs. Fracture surfaces were also examined to note fracture failure modes. The tensile behavior and selected tensile properties were compared with results in the literature for similar alloys.
C1 [Licavoli, Joseph J.; Gao, Michael C.; Sears, John S.; Jablonski, Paul D.; Hawk, Jeffrey A.] Natl Energy Technol Lab, Albany, OR 97321 USA.
[Gao, Michael C.; Sears, John S.] Natl Energy Technol Lab, AECOM, Albany, OR 97321 USA.
RP Licavoli, JJ (reprint author), Natl Energy Technol Lab, Albany, OR 97321 USA.
EM jeffhawk4@comcast.net
FU Cross-Cutting Technologies Program at the National Energy Technology
Laboratory (NETL)-Strategic Center for Coal
FX This work was funded by the Cross-Cutting Technologies Program at the
National Energy Technology Laboratory (NETL)-Strategic Center for Coal,
managed by Robert Romanosky (Technology Manager) and Charles Miller
(Technology Monitor). The Research was executed through NETL's Office of
Research and Development's Innovative Process Technologies (IPT) Field
Work Proposal.
NR 30
TC 1
Z9 1
U1 9
U2 62
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 OCT
PY 2015
VL 24
IS 10
BP 3685
EP 3698
DI 10.1007/s11665-015-1679-7
PG 14
WC Materials Science, Multidisciplinary
SC Materials Science
GA CS7VV
UT WOS:000362296000001
ER
PT J
AU Rozman, KA
Kruzic, JJ
Sears, JS
Hawk, JA
AF Rozman, Kyle A.
Kruzic, Jamie J.
Sears, John S.
Hawk, Jeffrey A.
TI Fatigue Crack Growth Mechanisms for Nickel-based Superalloy Haynes 282
at 550-750 A degrees C
SO JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE
LA English
DT Article
DE electron microscopy; fatigue; mechanical characterization; nickel-based
superalloys
ID ELEVATED-TEMPERATURE; ACTIVATION-ENERGY; CROSS-SLIP; MICROSTRUCTURE;
BEHAVIOR; CREEP; PROPAGATION; OXIDATION; KINETICS; WASPALOY
AB The fatigue crack growth rates for nickel-based superalloy Haynes 282 were measured at 550, 650, and 750 A degrees C using compact tension specimens with a load ratio of 0.1 and cyclic loading frequencies of 25 and 0.25 Hz. The crack path was observed to be primarily transgranular for all temperatures, and the observed effect of increasing temperature was to increase the fatigue crack growth rates. The activation energy associated with the increasing crack growth rates over these three temperatures was calculated less than 60 kJ/mol, which is significantly lower than typical creep or oxidation mechanisms; therefore, creep and oxidation cannot explain the increase in fatigue crack growth rates. Transmission electron microscopy was done on selected samples removed from the cyclic plastic zone, and a trend of decreasing dislocation density was observed with increasing temperature. Accordingly, the trend of increasing crack growth rates with increasing temperature was attributed to softening associated with thermally assisted cross slip and dislocation annihilation.
C1 [Rozman, Kyle A.] Natl Energy Technol Lab, ORISE, Albany, OR 97321 USA.
[Kruzic, Jamie J.] Oregon State Univ, Sch Mech Ind & Mfg Engn, Mat Sci, Corvallis, OR 97331 USA.
[Sears, John S.] Natl Energy Technol Lab, AECOM, Albany, OR 97321 USA.
[Sears, John S.; Hawk, Jeffrey A.] Natl Energy Technol Lab, Albany, OR 97321 USA.
RP Rozman, KA (reprint author), Natl Energy Technol Lab, ORISE, 1450 Queen Ave SW, Albany, OR 97321 USA.
EM jeffhawk4@comcast.net
RI Kruzic, Jamie/M-3558-2014
OI Kruzic, Jamie/0000-0002-9695-1921
FU Cross-Cutting Technologies Program at the National Energy Technology
Laboratory (NETL)-Strategic Center for Coal
FX This work was funded by the Cross-Cutting Technologies Program at the
National Energy Technology Laboratory (NETL)-Strategic Center for Coal,
managed by Robert Romanosky (Technology Manager) and Charles Miller
(Technology Monitor). The Research was executed through NETL's Office of
Research and Development's Innovative Process Technologies (IPT) Field
Work Proposal with David Alman serving as the Materials Focus Area Lead.
NR 31
TC 0
Z9 0
U1 3
U2 19
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 OCT
PY 2015
VL 24
IS 10
BP 3699
EP 3707
DI 10.1007/s11665-015-1678-8
PG 9
WC Materials Science, Multidisciplinary
SC Materials Science
GA CS7VV
UT WOS:000362296000002
ER
PT J
AU Foulds, K
Donaldson, M
Kao, SF
Letukas, V
Korber, B
Keele, B
Mascola, J
Roederer, M
AF Foulds, Kathryn
Donaldson, Mitzi
Kao, Shing-Fen
Letukas, Valerie
Korber, Bette
Keele, Brandon
Mascola, John
Roederer, Mario
TI IMMUNOLOGICAL CORRELATES OF PROTECTION AGAINST SIV PATHOGENESIS
FOLLOWING VACCINATION WITH MOSAIC AND NATURAL PROTEINS
SO JOURNAL OF MEDICAL PRIMATOLOGY
LA English
DT Meeting Abstract
C1 [Foulds, Kathryn; Donaldson, Mitzi; Kao, Shing-Fen; Letukas, Valerie; Mascola, John; Roederer, Mario] NIAID, NIH, VRC, Bethesda, MD 20892 USA.
[Korber, Bette] Los Alamos Natl Lab, Los Alamos, NM USA.
[Keele, Brandon] AIDS & Canc Virus Program, Frederick, MD USA.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0047-2565
EI 1600-0684
J9 J MED PRIMATOL
JI J. Med. Primatol.
PD OCT
PY 2015
VL 44
IS 5
SI SI
MA O6.01
BP 321
EP 321
PG 1
WC Veterinary Sciences; Zoology
SC Veterinary Sciences; Zoology
GA CS3IM
UT WOS:000361966000057
ER
PT J
AU Yagnamurthy, S
Boyce, BL
Chasiotis, I
AF Yagnamurthy, Sivakumar
Boyce, Brad L.
Chasiotis, Ioannis
TI Role of Microstructure and Doping on the Mechanical Strength and
Toughness of Polysilicon Thin Films
SO JOURNAL OF MICROELECTROMECHANICAL SYSTEMS
LA English
DT Article
DE Critical stress intensity factor; Weibull; grain size; MEMS; size
effects
ID SINGLE-CRYSTAL SILICON; GRAIN-GROWTH MECHANISM; POLYCRYSTALLINE SILICON;
FRACTURE-TOUGHNESS; BRITTLE MATERIALS; CRACK-GROWTH; MEMS; SURFACE;
SIZE; MORPHOLOGY
AB The role of microstructure and doping on the mechanical strength of microscale tension specimens of columnar grain and laminated polysilicon doped with different concentrations of phosphorus was investigated. The average tensile strengths of undoped columnar and laminated polysilicon specimens were 1.3 +/- 0.1 and 2.45 +/- 0.3 GPa, respectively. Heavy doping reduced the strength of columnar polysilicon specimens to 0.9 +/- 0.1 GPa. On grounds of Weibull statistics, the experimental results from specimens with gauge sections of 1000 mu m x 100 mu m x 1 mu m predicted quite well the tensile strength of specimens with gauge sections of 150 mu m x 3.75 mu m x 1 mu m, and vice versa. The large difference in the mechanical strength between columnar and laminated polysilicon specimens was due to sidewall flaws in columnar polysilicon, which were introduced during reactive ion etching (RIE) and were further exacerbated by phosphorus doping. Removal of the large defect regions at the sidewalls of columnar polysilicon specimens via ion milling increased their tensile strength by 70%-100%, approaching the strength of laminated polysilicon, which implies that the two types of polysilicon films have comparable tensile strength. Measurements of the effective mode I critical stress intensity factor, KIC, eff, also showed that all types of polysilicon films had comparable resistance to fracture. Therefore, additional processing steps to eliminate the edge flaws in RIE patterned devices could result in significantly stronger microelectromechanical system components fabricated by conventional columnar polysilicon films. [2014-0269]
C1 [Yagnamurthy, Sivakumar; Chasiotis, Ioannis] Univ Illinois, Dept Aerosp Engn, Champaign, IL 61820 USA.
[Boyce, Brad L.] Sandia Natl Labs, Albuquerque, NM 87123 USA.
RP Yagnamurthy, S (reprint author), Univ Illinois, Dept Aerosp Engn, Champaign, IL 61820 USA.
EM sivakumar.yagnamurthy@intel.com; blboyce@sandia.gov;
chasioti@illinois.edu
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX The authors thank M. J. Shaw for coordinating the fabrication of the
custom polysilicon specimens. Additionally, they thank the staff at the
Materials Research Laboratory, University of Illinois at Urbana
Champaign for their extended help during the usage of SEM, AFM and FIB.
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 51
TC 1
Z9 1
U1 2
U2 10
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 OCT
PY 2015
VL 24
IS 5
BP 1436
EP 1452
DI 10.1109/JMEMS.2015.2410215
PG 17
WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology;
Instruments & Instrumentation; Physics, Applied
SC Engineering; Science & Technology - Other Topics; Instruments &
Instrumentation; Physics
GA CS8RB
UT WOS:000362354900023
ER
PT J
AU Zhou, CS
Fang, ZGZ
Bowman, RC
Xia, Y
Lu, J
Luo, XY
Ren, Y
AF Zhou, Chengshang
Fang, Zhigang Zak
Bowman, Robert C., Jr.
Xia, Yang
Lu, Jun
Luo, Xiangyi
Ren, Yang
TI Stability of Catalyzed Magnesium Hydride Nanocrystalline During Hydrogen
Cycling. Part II: Microstructure Evolution
SO JOURNAL OF PHYSICAL CHEMISTRY C
LA English
DT Article
ID SORPTION KINETICS; MGH2; STORAGE; TEM; NB2O5; SIZE; DEHYDROGENATION;
DESORPTION; MECHANISMS; DIFFUSION
AB In Part I, the cyclic stabilities of the kinetics of catalyzed MgH2 systems including MgH2-TiH2, MgH2-TiMn2, and MgH2-VTiCr were investigated, showing stable kinetics at 300 degrees C but deteriorations of the hydrogenation kinetics at temperatures below 150 degrees C. The present Part II describes the characterization of uncycled and cycled catalyzed MgH2 by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS) analysis. XRD analysis shows the crystallite sizes of the Mg and MgH2 significantly increased after the cycling. The mean crystallite sizes of the catalysts (TiH2 and VTiCr) increased moderately after the cycling. SEM and TEM imaging were used to compare the microstructures of uncycled (as-milled) and cycled materials, revealing a drastic change of the microstructure after 100 cycles. In particular, results from energy-dispersive spectroscopy (EDS) mapping show that a change of distribution of the catalyst particles in the Mg and MgH2 phase occurred during the cycling.
C1 [Zhou, Chengshang; Fang, Zhigang Zak; Bowman, Robert C., Jr.; Xia, Yang] Univ Utah, Dept Met Engn, Salt Lake City, UT 84112 USA.
[Lu, Jun; Luo, Xiangyi] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Ren, Yang] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
RP Fang, ZGZ (reprint author), Univ Utah, Dept Met Engn, 135 South 1460 East,Room 412, Salt Lake City, UT 84112 USA.
EM zak.fang@utah.edu
OI Bowman, Robert/0000-0002-2114-1713
FU U.S. Department of Energy (DOE) [DE-AR0000173]; College of Engineering,
Health Sciences Center, Office of the Vice President for Research; Utah
Science Technology and Research (USTAR) initiative of the State of Utah;
MRSEC Program of the NSF [DMR-1121252]
FX This research was supported by the U.S. Department of Energy (DOE) under
contract number DE-AR0000173. The TEM work made use of University of
Utah shared facilities of the Micron Technology Foundation Inc.
Microscopy Suite sponsored by the College of Engineering, Health
Sciences Center, Office of the Vice President for Research, and the Utah
Science Technology and Research (USTAR) initiative of the State of Utah.
The TEM work made use of University of Utah USTAR shared facilities
supported, in part, by the MRSEC Program of the NSF under Award No.
DMR-1121252. The authors thank Dr. Brian van Devener for TEM and XPS
analysis at Utah Nanofab, University of Utah.
NR 34
TC 2
Z9 2
U1 9
U2 30
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 OCT 1
PY 2015
VL 119
IS 39
BP 22272
EP 22280
DI 10.1021/acs.jpcc.5b06192
PG 9
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA CS9CC
UT WOS:000362385700003
ER
PT J
AU Berman, GP
Nesterov, AI
Lopez, GV
Sayre, RT
AF Berman, Gennady P.
Nesterov, Alexander I.
Lopez, Gustavo V.
Sayre, Richard T.
TI Superradiance Transition and Nonphotochemical Quenching in
Photosynthetic Complexes
SO JOURNAL OF PHYSICAL CHEMISTRY C
LA English
DT Article
ID QUANTUM ELECTRON-TRANSFER; CHARGE-TRANSFER STATE; GREEN PLANTS;
OVERLAPPING RESONANCES; CHAOTIC SCATTERING; SYSTEMS; MODEL; PROTEIN;
POLES
AB We demonstrate numerically that superradiance could play a significant role in light-harvesting complexes, when two escape channels into continuum for the exciton are competing. Our model consists of a network of five interconnected sites (discrete excitonic states). Damaging and charge transfer states are linked to their sinks (independent continuum electron spectra), in which the chemical reactions occur. The superradiance transition in the charge transfer (or in the damaging) channel occurs at particular electron transfer rates from the discrete to the continuum electron spectra and can be characterized by a segregation of the imaginary parts of the eigenvalues of the effective non-Hermitian Hamiltonian. All five excitonic sites interact with their protein environment that is modeled by a random stochastic process. We find the region of parameters in which the superradiance transition into the charge transfer channel takes place. We demonstrate that this superradiance transition has the capability of producing optimal escape into the charge transfer channel.
C1 [Berman, Gennady P.] Los Alamos Natl Lab, Div Theoret, T 4, Los Alamos, NM 87544 USA.
[Berman, Gennady P.; Sayre, Richard T.] New Mexico Consortium, Los Alamos, NM 87544 USA.
[Nesterov, Alexander I.; Lopez, Gustavo V.] Univ Guadalajara, Dept Fis, Guadalajara 44100, Jalisco, Mexico.
[Sayre, Richard T.] Los Alamos Natl Lab, Div Biol, B 11, Los Alamos, NM 87544 USA.
RP Nesterov, AI (reprint author), Univ Guadalajara, Dept Fis, Guadalajara 44100, Jalisco, Mexico.
EM nesterov@cencar.udg.mx
OI Sayre, Richard/0000-0002-3153-7084
FU National Nuclear Security Administration of the U.S. Department of
Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]; CONACyT;
LDRD program at LANL
FX This work was carried out under the auspices of the National Nuclear
Security Administration of the U.S. Department of Energy at Los Alamos
National Laboratory under Contract No. DE-AC52-06NA25396. A.I.N. and
G.L.V. acknowledge the support from the CONACyT. G.P.B. and R.T.S.
acknowledge the support from the LDRD program at LANL.
NR 46
TC 2
Z9 2
U1 1
U2 5
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 OCT 1
PY 2015
VL 119
IS 39
BP 22289
EP 22296
DI 10.1021/acs.jpcc.5b04455
PG 8
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA CS9CC
UT WOS:000362385700005
ER
PT J
AU Li, K
Zheng, HY
Wang, LJ
Tulk, CA
Molaison, JJ
Feygenson, M
Yang, WG
Guthrie, M
Mao, H
AF Li, Kuo
Zheng, Haiyan
Wang, Lijuan
Tulk, Christopher A.
Molaison, Jamie J.
Feygenson, Mikhail
Yang, Wenge
Guthrie, Malcolm
Mao, Hokwang
TI K3Fe(CN)(6) under External Pressure: Dimerization of CN- Coupled with
Electron Transfer to Fe(III)
SO JOURNAL OF PHYSICAL CHEMISTRY C
LA English
DT Article
ID INDUCED POLYMERIZATION; X-RAY; ALKALI CYANIDES; SCATTERING; COMPLEXES;
NEUTRON; STATE; RAMAN; IRON
AB The addition polymerization of charged monomers like C C2- and C N- is scarcely seen at ambient conditions but can progress under external pressure with their conductivity significantly enhanced, which expands the research field of polymer science to inorganic salts. The reaction pressures of transition metal cyanides like Prussian blue and K3Fe(CN)(6) are much lower than that of alkali cyanides. To figure out the effect of the transition metal on the reaction, the crystal structure and electronic structure of K3Fe(CN)(6) under external pressure are investigated by in situ neutron diffraction, in situ X-ray absorption fine structure (XAFS), and neutron pair distribution functions (PDF) up to similar to 15 GPa. The cyanide anions react following a sequence of approaching-bonding-stabilizing. The Fe(III) brings the cyanides closer which makes the bonding progress at a low pressure (2-4 GPa). At similar to 8 GPa, an electron transfers from the CN to Fe(III), reduces the charge density on cyanide ions, and stabilizes the reaction product of cyanide. From this study we can conclude that bringing the monomers closer and reducing their charge density are two effective routes to decrease the reaction pressure, which is important for designing novel pressure induced conductor and excellent electrode materials.
C1 [Li, Kuo; Zheng, Haiyan; Wang, Lijuan; Yang, Wenge; Mao, Hokwang] Ctr High Pressure Sci & Technol Adv Res, Beijing 100094, Peoples R China.
[Li, Kuo; Zheng, Haiyan; Guthrie, Malcolm; Mao, Hokwang] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA.
[Tulk, Christopher A.; Molaison, Jamie J.; Feygenson, Mikhail] Oak Ridge Natl Lab, Neutron Sci Directorate, Oak Ridge, TN 37830 USA.
[Yang, Wenge] Carnegie Inst Sci, Geophys Lab, HPSynC, Argonne, IL 60439 USA.
RP Li, K (reprint author), Ctr High Pressure Sci & Technol Adv Res, Beijing 100094, Peoples R China.
EM likuo@hpstar.ac.cn; zhenghy@hpstar.ac.cn
RI Feygenson, Mikhail /H-9972-2014; Tulk, Chris/R-6088-2016
OI Feygenson, Mikhail /0000-0002-0316-3265; Tulk, Chris/0000-0003-3400-3878
FU Energy Frontier Research in Extreme Environment (EFree) Center, an
Energy Frontier Research Center - Basic Energy Sciences (BES),
Department of Energy (DOE) [DE-SC0001057]; DOE-BES X-ray Scattering Core
Program [DE-FG02-99ER45775]
FX This work was partially supported as part of the Energy Frontier
Research in Extreme Environment (EFree) Center, an Energy Frontier
Research Center funded by Basic Energy Sciences (BES), Department of
Energy (DOE), under Award DE-SC0001057. Wenge Yang and Ho-kwang Mao
acknowledge the financial support from DOE-BES X-ray Scattering Core
Program under Grant DE-FG02-99ER45775.
NR 33
TC 1
Z9 1
U1 3
U2 30
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 OCT 1
PY 2015
VL 119
IS 39
BP 22351
EP 22356
DI 10.1021/acs.jpcc.5b06793
PG 6
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA CS9CC
UT WOS:000362385700011
ER
PT J
AU McCloy, JS
Jiang, WL
Bennett, W
Engelhard, M
Lindemuth, J
Parmar, N
Exarhos, GJ
AF McCloy, John S.
Jiang, Weilin
Bennett, Wendy
Engelhard, Mark
Lindemuth, Jeffrey
Parmar, Narendra
Exarhos, Gregory J.
TI Electrical and Magnetic Properties Modification in Heavy Ion Irradiated
Nanograin NixCo(3-x)O4 Films
SO JOURNAL OF PHYSICAL CHEMISTRY C
LA English
DT Article
ID X-RAY PHOTOELECTRON; FERRIMAGNETIC SPINEL NICO2O4; NON-CRYSTALLINE
MATERIALS; NICKEL-COBALT OXIDES; GLASS BEHAVIOR; INFRARED TRANSPARENCY;
NEUTRON-DIFFRACTION; EXCHANGE BIAS; HIGH-PRESSURE; MIXED OXIDES
AB Reactively sputtered NixCo(3-x)O4 films (x = 1.5, 1.0, and 0.75) were grown and subsequently irradiated with 5.5 MeV Si+ ions to investigate effects of lattice-site and charge state distribution. Films were characterized before and after irradiation by X-ray diffraction, X-ray photoemission spectroscopy, Rutherford backscattering spectroscopy, electric resistivity measurements, and temperature-dependent AC and DC magnetometry. Results indicate that ion irradiation induces oxygen loss, partial reduction of nickel, and an increase in both low-temperature ferrimagnetism and room-temperature conductivity. Frequency-dependent AC magnetic susceptibility measurements indicate a spin-glass-like transition at low temperature which moves to higher temperature after irradiation. Significance of the charge transfer for magnetism and conduction in a mixed spinel with Co2+, Co3+, Ni2+, and Ni3+ in tetrahedral and octahedral sites is discussed.
C1 [McCloy, John S.; Parmar, Narendra] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.
[McCloy, John S.; Parmar, Narendra] Washington State Univ, Mat Sci & Engn Program, Pullman, WA 99164 USA.
[Jiang, Weilin; Bennett, Wendy; Exarhos, Gregory J.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Engelhard, Mark] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
[Lindemuth, Jeffrey] Lake Shore Cryotron Inc, Westerville, OH 43081 USA.
RP McCloy, JS (reprint author), Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.
FU Laboratory Directed Research and Development (LDRD) program at the
Pacific Northwest National Laboratory (PNNL); U.S. Department of Energy
(DOE) [DE-AC05-76RL01830]; DOE's Office of Biological and Environmental
Research
FX This work was supported in part by the Laboratory Directed Research and
Development (LDRD) program at the Pacific Northwest National Laboratory
(PNNL). PNNL is operated for the U.S. Department of Energy (DOE) by
Battelle under Contract DE-AC05-76RL01830. Some of the research was
performed using facilities within the Environmental Molecular Sciences
Laboratory (EMSL) at PNNL, sponsored by the DOE's Office of Biological
and Environmental Research. The authors thank Saehwa Chong, Chuck
Henager, Alex Rettie, and Scott Chambers for helpful comments.
NR 94
TC 0
Z9 0
U1 6
U2 35
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 OCT 1
PY 2015
VL 119
IS 39
BP 22465
EP 22476
DI 10.1021/acs.jpcc.5b06406
PG 12
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA CS9CC
UT WOS:000362385700024
ER
PT J
AU Bobadilla, AD
Ocola, LE
Sumant, AV
Kaminski, M
Kumar, N
Seminario, JM
AF Bobadilla, Alfredo D.
Ocola, Leonidas E.
Sumant, Anirudha V.
Kaminski, Michael
Kumar, Narendra
Seminario, Jorge M.
TI Europium Effect on the Electron Transport in Graphene Ribbons
SO JOURNAL OF PHYSICAL CHEMISTRY C
LA English
DT Article
ID EFFECTIVE CORE POTENTIALS; FIELD-EFFECT TRANSISTORS; MOLECULAR-DYNAMICS;
OXIDE NANOSHEETS; FUNCTIONALIZED GRAPHENE; SEQUENTIAL EXTRACTION;
NUCLEAR FORENSICS; PHASE-TRANSITIONS; WATER-QUALITY; BASIS-SETS
AB We report in this complementary theoretical-experimental work the effect of gating on the electron transport of graphene ribbons when exposed to very low concentration of europium in an aqueous solution. We find a direct correlation between the level of concentration of europium ions in the solvent and the change in electron transport in graphene, observing a change of up to 3 orders of magnitude at the lowest level of concentration tested (0.1 mM), suggesting a possibility that graphene ribbons can be used for detecting very low concentrations of europium in liquid solutions.
C1 [Bobadilla, Alfredo D.; Kumar, Narendra; Seminario, Jorge M.] Texas A&M Univ, Dept Mat Sci & Engn, Dept Elect & Comp Engn, Dept Chem Engn, College Stn, TX 77843 USA.
[Bobadilla, Alfredo D.; Kaminski, Michael] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA.
[Ocola, Leonidas E.; Sumant, Anirudha V.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
RP Seminario, JM (reprint author), Texas A&M Univ, Dept Mat Sci & Engn, Dept Elect & Comp Engn, Dept Chem Engn, College Stn, TX 77843 USA.
EM seminario@tamu.edu
OI BOBADILLA, ALFREDO/0000-0001-6977-9698; Ocola,
Leonidas/0000-0003-4990-1064
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]; U.S. Department of Energy Office of
Science laboratory [DE-AC02-06CH11357]; Argonne National Laboratory's
Laboratory-Directed Research and Development Strategic Initiative
FX Use of the Center for Nanoscale Materials was supported by the U.S.
Department of Energy, Office of Science, Office of Basic Energy
Sciences, under Contract DE-AC02-06CH11357. 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 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. J.M.S. also acknowledges high-performance computing support
provided by the Texas A&M Supercomputer Facility and the Texas Advanced
Computing Center (TACC) as well as the financial support from Argonne
National Laboratory's Laboratory-Directed Research and Development
Strategic Initiative.
NR 90
TC 0
Z9 0
U1 20
U2 33
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 OCT 1
PY 2015
VL 119
IS 39
BP 22486
EP 22495
DI 10.1021/acs.jpcc.5b06499
PG 10
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA CS9CC
UT WOS:000362385700026
ER
PT J
AU Manurung, R
Holden, D
Miklitz, M
Chen, LJ
Hasell, T
Chong, SY
Haranczyk, M
Cooper, AI
Jelfs, KE
AF Manurung, Rex
Holden, Daniel
Miklitz, Marcin
Chen, Linjiang
Hasell, Tom
Chong, Samantha Y.
Haranczyk, Maciej
Cooper, Andrew I.
Jelfs, Kim E.
TI Tunable Porosity through Cooperative Diffusion in a Multicomponent
Porous Molecular Crystal
SO JOURNAL OF PHYSICAL CHEMISTRY C
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; DYNAMICS SIMULATIONS; FUNCTIONAL-GROUPS;
CARBON-DIOXIDE; CAGE COMPOUNDS; SURFACE-AREA; FLEXIBILITY; SELECTIVITY;
SEPARATION; HYDROGEN
AB A combination of different molecular simulation techniques was used to begin to uncover the mechanism behind the compositional tuning of gas sorption behavior in a multicomponent porous molecular crystal, CC1 center dot CC3(n)center dot CC4(1-n), where 0 < n < 1. Gas access to formally occluded voids was found to be allowed through a cooperative diffusion mechanism that requires the presence of the guest for the channel to briefly open. Molecular dynamics simulations and dynamic void analysis suggest two putative diffusion mechanisms. We propose that the gas diffusion is controlled by the cage vertices that surround the void, with the slightly smaller and more mobile cydopentane vertices in CC4 allowing more facile nitrogen diffusion than the cydohexane vertices in CC3. A combination of sorption simulations, void analysis, and statistical calculations suggests the diffusion mechanism may rely upon the presence of two CC4 molecules adjacent to the occluded voids.
C1 [Manurung, Rex; Miklitz, Marcin; Jelfs, Kim E.] Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AZ, England.
[Holden, Daniel; Chen, Linjiang; Hasell, Tom; Chong, Samantha Y.; Cooper, Andrew I.] Univ Liverpool, Dept Chem, Liverpool L69 7ZD, Merseyside, England.
[Holden, Daniel; Chen, Linjiang; Hasell, Tom; Chong, Samantha Y.; Cooper, Andrew I.] Univ Liverpool, Ctr Mat Discovery, Liverpool L69 7ZD, Merseyside, England.
[Haranczyk, Maciej] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
RP Jelfs, KE (reprint author), Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AZ, England.
EM k.jelfs@imperial.ac.uk
RI Hasell, Tom/G-3588-2011; Jelfs, Kim/E-1802-2011; Chong,
Samantha/B-4031-2009; Miklitz, Marcin/D-4912-2017
OI Hasell, Tom/0000-0003-4736-0604; Jelfs, Kim/0000-0001-7683-7630; Chong,
Samantha/0000-0002-3095-875X; Miklitz, Marcin/0000-0002-0144-3116
FU Royal Society; European Research Council [ERC-ADG-2012-321156-ROBOT];
EPSRC [EP/H000925/1, EP/L000202]; Center for Applied Mathematics for
Energy Research Applications (CAMERA) - U.S. Department of Energy
[DE-AC02- 05CH11231]
FX We acknowledge the Royal Society for a University Research Fellowship
(K.E.J.), the European Research Council (ERC-ADG-2012-321156-ROBOT), and
the EPSRC (EP/H000925/1) for financial support. M.H. was supported by
the Center for Applied Mathematics for Energy Research Applications
(CAMERA), funded by the U.S. Department of Energy under Contract No.
DE-AC02- 05CH11231. We acknowledge the U.K.'s Materials Chemistry
Consortium, which is funded by the EPSRC (EP/L000202), for time on the
U.K supercomputer, ARCHER.
NR 42
TC 4
Z9 4
U1 4
U2 25
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 OCT 1
PY 2015
VL 119
IS 39
BP 22577
EP 22586
DI 10.1021/acs.jpcc.5b07200
PG 10
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA CS9CC
UT WOS:000362385700036
ER
PT J
AU Ramakrishna, S
Pelton, M
Gray, SK
Seideman, T
AF Ramakrishna, S.
Pelton, Matthew
Gray, Stephen K.
Seideman, Tamar
TI Plasmon-Enhanced Electron Injection in Dye-Sensitized Solar Cells
SO JOURNAL OF PHYSICAL CHEMISTRY C
LA English
DT Article
ID NANOPARTICLES; NANOSTRUCTURES
AB Recent experiments have shown that the efficiency of photoinduced electron transfer from sensitizers (molecules or quantum dots) to semiconductors can be enhanced by coupling the sensitizers to plasmon resonances in metal nanoparticles. Here, we use a model-Hamiltonian approach to show theoretically that there is an optimal coupling between the sensitizer and plasmons that maximizes the electron-transfer efficiency. This optimum results from the competition between electron transfer, plasmon relaxation, and plasmon decoherence. For coupling values that exceed the optimal value, the dynamics of electron transfer from the sensitizer to the semiconductor can be significantly modified due to the sensitizer plasmon coupling.
C1 [Ramakrishna, S.; Seideman, Tamar] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
[Pelton, Matthew] Univ Maryland Baltimore Cty, Dept Phys, Baltimore, MD 21250 USA.
[Gray, Stephen K.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
RP Seideman, T (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.
EM t-seideman@northwestern.edu
RI Pelton, Matthew/H-7482-2013
OI Pelton, Matthew/0000-0002-6370-8765
FU National Science Foundation [1465201]; U.S. Department of Energy, Office
of Science, Office of Basic Energy Sciences User Facility
[DE-AC02-06CH11357]
FX T.S. thanks the National Science Foundation (Grant 1465201) for support
of this research. This work was performed, in part, at the Center for
Nanoscale Materials, a U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences User Facility under Contract
DE-AC02-06CH11357.
NR 30
TC 4
Z9 4
U1 3
U2 22
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 OCT 1
PY 2015
VL 119
IS 39
BP 22640
EP 22645
DI 10.1021/acs.jpcc.5b07660
PG 6
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA CS9CC
UT WOS:000362385700044
ER
PT J
AU Adamska, L
Nazin, GV
Doorn, SK
Tretiak, S
AF Adamska, Lyudmyla
Nazin, George V.
Doorn, Stephen K.
Tretiak, Sergei
TI Self-Trapping of Charge Carriers in Semiconducting Carbon Nanotubes:
Structural Analysis
SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS
LA English
DT Article
ID SOLAR-CELLS; ELECTRONIC-STRUCTURE; EXCITONS; CYCLOPARAPHENYLENES;
EXCITATIONS; TRANSISTORS; DEPENDENCE; DISTORTION; ENERGIES; POLYMERS
AB The spatial extent of charged electronic states in semiconducting carbon nanotubes with indices (6,5) and (7,6) was evaluated using density functional theory. It was observed that electrons and holes self-trap along the nanotube axis on length scales of about 4 and 8 nm, respectively, which localize cations and anions on comparable length scales. Self-trapping is accompanied by local structural distortions showing periodic bond-length alternation. The average lengthening (shortening) of the bonds for anions (cations) is expected to shift the G-mode frequency to lower (higher) values. The smaller-diameter nanotube has reduced structural relaxation due to higher carbon carbon bond strain. The reorganization energy due to charge-induced deformations in both nanotubes is found to be in the 30-60 meV range. Our results represent the first theoretical simulation of self-trapping of charge carriers in semiconducting nanotubes, and agree with available experimental data.
C1 [Adamska, Lyudmyla; Tretiak, Sergei] Los Alamos Natl Lab, Theoret Div, Los Alamos, NM 87545 USA.
[Adamska, Lyudmyla; Tretiak, Sergei] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
[Nazin, George V.] Dept Chem & Biochem, Eugene, OR 97403 USA.
[Doorn, Stephen K.; Tretiak, Sergei] Los Alamos Natl Lab, Ctr Integrated Nanotechnol CINT, Los Alamos, NM 87545 USA.
RP Adamska, L (reprint author), Los Alamos Natl Lab, Theoret Div, POB 1663, Los Alamos, NM 87545 USA.
RI Tretiak, Sergei/B-5556-2009
OI Tretiak, Sergei/0000-0001-5547-3647
FU U.S. Department of Energy; Los Alamos LDRD funds; U.S. Department of
Energy [DE-AC5206NA25396]; Center for Integrated Nanotechnologies
(CINT); Center for Nonlinear Studies (CNLS) at LANL; NSF CAREER award
[CHE-1454036]
FX L.A. acknowledges Jin Liu for his help with simulations. This work was
supported by the U.S. Department of Energy and Los Alamos LDRD funds.
Los Alamos National Laboratory is operated by Los Alamos National
Security, LLC, for the National Nuclear Security Administration of the
U.S. Department of Energy under contract DE-AC5206NA25396. We
acknowledge support from the Center for Integrated Nanotechnologies
(CINT) and the Center for Nonlinear Studies (CNLS) at LANL. G.V.N.
acknowledges support by NSF CAREER award CHE-1454036.
NR 49
TC 0
Z9 0
U1 4
U2 16
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 OCT 1
PY 2015
VL 6
IS 19
BP 3873
EP 3879
DI 10.1021/acs.jpclett.5b01729
PG 7
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary; Physics, Atomic, Molecular & Chemical
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CS9ED
UT WOS:000362391000016
PM 26722885
ER
PT J
AU Cosby, T
Holt, A
Griffin, PJ
Wang, YY
Sangoro, J
AF Cosby, Tyler
Holt, Adam
Griffin, Philip J.
Wang, Yangyang
Sangoro, Joshua
TI Proton Transport in Imidazoles: Unraveling the Role of Supramolecular
Structure
SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS
LA English
DT Article
ID IONIC LIQUIDS; CHARGE-TRANSPORT; MOLECULAR-DYNAMICS; DISORDERED SOLIDS;
AC CONDUCTION; SYSTEMS; CHAINS; RELAXATION; MECHANISM; MEMBRANES
AB The impact of supramolecular hydrogen bonded networks on dynamics and charge transport in 2-ethyl-4-methylimidazole (2E4MIm), a model proton conducting system, is investigated by broadband dielectric spectroscopy, depolarized dynamic light scattering, viscometry, and calorimetry. It is observed that the slow, Debyelike relaxation reflecting the supramolecular structure in neat 2E4MIm is eliminated upon the addition of minute amounts of levulinic acid. This is attributed to the dissociation of imidazole molecules and the breaking down of hydrogen-bonded chains, which leads to a 10-fold enhancement of ionic conductivity.
C1 [Cosby, Tyler; Sangoro, Joshua] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Holt, Adam] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA.
[Griffin, Philip J.] Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA.
[Wang, Yangyang] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Cosby, T (reprint author), Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
RI Wang, Yangyang/A-5925-2010
OI Wang, Yangyang/0000-0001-7042-9804
FU Sustainable Energy Education and Research Center (SEERC) at UTK; UT
Science Alliance through JDRD Collaborative Cohort Program; Division of
Scientific User Facilities, Office of Basic Energy Sciences, U.S.
Department of Energy
FX We gratefully acknowledge financial support from the Sustainable Energy
Education and Research Center (SEERC) at UTK and the UT Science Alliance
through the JDRD Collaborative Cohort Program. We also thank Alexei
Sokolov for granting us access to dynamic light scattering equipment.
The viscometry measurement was conducted at the Oak Ridge National
Laboratory's Center for Nanophase Materials Sciences, which is sponsored
by the Division of Scientific User Facilities, Office of Basic Energy
Sciences, U.S. Department of Energy.
NR 37
TC 2
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U1 7
U2 34
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 OCT 1
PY 2015
VL 6
IS 19
BP 3961
EP 3965
DI 10.1021/acs.jpclett.5b01887
PG 5
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary; Physics, Atomic, Molecular & Chemical
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CS9ED
UT WOS:000362391000031
PM 26722899
ER
PT J
AU Gao, YF
Larson, BC
AF Gao, Yanfei
Larson, Bennett C.
TI Displacement fields and self-energies of circular and polygonal
dislocation loops in homogeneous and layered anisotropic solids
SO JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
LA English
DT Article
DE Dislocation loop; Anisotropic elasticity; Equivalence between
dislocation and contact problems
ID X-RAY-SCATTERING; CUBIC-CRYSTALS; GRADIENT ELASTICITY;
DIFFUSE-SCATTERING; THIN-FILMS; INDENTATION; DYNAMICS; NANOINDENTATION;
BIMATERIALS; SIMULATION
AB There are large classes of materials problems that involve the solutions of stress, displacement, and strain energy of dislocation loops in elastically anisotropic solids, including increasingly detailed investigations of the generation and evolution of irradiation induced defect clusters ranging in sizes from the micro- to meso-scopic length scales. Based on a two-dimensional Fourier transform and Stroh formalism that are ideal for homogeneous and layered anisotropic solids, we have developed robust and computationally efficient methods to calculate the displacement fields for circular and polygonal dislocation loops. Using the homogeneous nature of the Green tensor of order 1, we have shown that the displacement and stress fields of dislocation loops can be obtained by numerical quadrature of a line integral. In addition, it is shown that the sextuple integrals associated with the strain energy of loops can be represented by the product of a prefactor containing elastic anisotropy effects and a universal term that is singular and equal to that for elastic isotropic case. Furthermore, we have found that the self-energy prefactor of prismatic loops is identical to the effective modulus of normal contact, and the pre-factor of shear loops differs from the effective indentation modulus in shear by only a few percent. These results provide a convenient method for examining dislocation reaction energetic and efficient procedures for numerical computation of local displacements and stresses of dislocation loops, both of which play integral roles in quantitative defect analyses within combined experimental-theoretical investigations. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Gao, Yanfei; Larson, Bennett C.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Gao, Yanfei] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
RP Gao, YF (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
EM ygao7@utk.edu; larsonbc@ornl.gov
RI Gao, Yanfei/F-9034-2010
OI Gao, Yanfei/0000-0003-2082-857X
FU U.S. Department of Energy, Office of Science, Basic Energy Sciences,
Materials Sciences and Engineering Division
FX This work was sponsored by the U.S. Department of Energy, Office of
Science, Basic Energy Sciences, Materials Sciences and Engineering
Division. YFG is grateful to Haixuan Xu for fruitful discussions on
reactions of dislocation loops.
NR 43
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U1 4
U2 16
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0022-5096
EI 1873-4782
J9 J MECH PHYS SOLIDS
JI J. Mech. Phys. Solids
PD OCT
PY 2015
VL 83
BP 104
EP 128
DI 10.1016/j.jmps.2015.06.008
PG 25
WC Materials Science, Multidisciplinary; Mechanics; Physics, Condensed
Matter
SC Materials Science; Mechanics; Physics
GA CS9AK
UT WOS:000362381300007
ER
PT J
AU Williams, PT
Thompson, PD
AF Williams, Paul T.
Thompson, Paul D.
TI Effects of Statin Therapy on Exercise Levels in Participants in the
National Runners' and Walkers' Health Study
SO MAYO CLINIC PROCEEDINGS
LA English
DT Article
ID SKELETAL-MUSCLE FUNCTION; MITOCHONDRIAL DYSFUNCTION; ATORVASTATIN
TREATMENT; TRAINING ADAPTATIONS; VIGOROUS EXERCISE; OXIDATIVE STRESS;
CLINICAL-TRIALS; MYOPATHY; REHABILITATION; HYPERTENSION
AB Objectives: To determine whether decreases in exercise 1) were greater in individuals who were diagnosed as having hypercholesterolemia than in those without the diagnosis during follow-up and 2) were greater in incident hypercholesterolemic participants starting statins than in those not treated with cholesterol-lowering medications.
Participants and Methods: Regression analyses of changes since baseline (Delta) in exercise vs diagnosis of hypercholesterolemia and its treatment in 66,377 runners and 12,031 walkers not using cholesterol medications at baseline who were resurveyed during the National Runners' and Walkers' Health Study follow-up (January 1, 1991, through December 31, 2006).
Results: A total of 3510 runners began statin treatment, 1779 began other or unspecified cholesterol-lowering drug treatment, and 2583 had untreated hypercholesterolemia; 58,505 runners remained nonhypercholesterolemic controls during the mean 7.2-year follow-up. Usual distance run decreased significantly more in hypercholesterolemic runners who began taking statins (mean +/- SE: -0.47 +/- 0.06 km/d) than in runners who remained nonhypercholesterolemic during follow-up (-0.08 +/- 0.02 km/d) (P<.001). However, running distance also decreased significantly more in hypercholesterolemic runners who began unspecified/other (-0.52 +/- 0.08 km/d) or no (-0.47 +/- 0.07 km/d) cholesterol drugs than in nonhypercholesterolemic runners during follow-up. Moreover, Delta running distance did not differ significantly between hypercholesterolemic runners who were statin treated vs those treated with other/unspecified (P=.64) or no (P=.94) cholesterol drugs. Initiating statin therapy was not associated with Delta running pace in hypercholesterolemic runners or Delta walking distances in hypercholesterolemic walkers.
Conclusion: These results are consistent with the premise that a decrease in running distance is associated with hypercholesterolemia and do not suggest that statins reduce exercise level or intensity. (C) 2015 Mayo Foundation for Medical Education and Research
C1 [Williams, Paul T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
[Thompson, Paul D.] Hartford Hosp, Dept Cardiol, Hartford, CT 06115 USA.
RP Williams, PT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Donner 464,1 Cycloton Rd, Berkeley, CA 94720 USA.
EM ptwilliams@lbl.gov
FU Genomas; Sanolfi; Regeneron; Esperion; Amarin; Pfizer
FX Dr Thompson has received research support from Genomas, Sanolfi,
Regeneron, Esperion, Amarin, and Pfizer; has served as a consultant for
Amgen, Regeneron, Merck, and Sanolfi; has received speaker honoraria
from Merck and AstraZeneca; owns stock in Abbvie, Abbott Labs, General
Electric, Johnson & Johnson, and JA Willey; and has provided expert
legal testimony on exercise-related cardiac events and statin myopathy.
NR 43
TC 5
Z9 5
U1 0
U2 6
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 0025-6196
EI 1942-5546
J9 MAYO CLIN PROC
JI Mayo Clin. Proc.
PD OCT
PY 2015
VL 90
IS 10
BP 1338
EP 1347
DI 10.1016/j.mayocp.2015.06.019
PG 10
WC Medicine, General & Internal
SC General & Internal Medicine
GA CS9YN
UT WOS:000362450100009
PM 26434961
ER
PT J
AU Gaub, BM
Berry, MH
Holt, AE
Isacoff, EY
Flannery, JG
AF Gaub, Benjamin M.
Berry, Michael H.
Holt, Amy E.
Isacoff, Ehud Y.
Flannery, John G.
TI Optogenetic Vision Restoration Using Rhodopsin for Enhanced Sensitivity
SO MOLECULAR THERAPY
LA English
DT Article
ID RETINAL GANGLION-CELLS; RESTORES VISUAL RESPONSES; ON-BIPOLAR CELLS;
RETINITIS-PIGMENTOSA; BLIND MICE; PHOTORECEPTOR DEGENERATION; ECTOPIC
EXPRESSION; GENE-THERAPY; LIGHT; TRANSDUCTION
AB Retinal disease is one of the most active areas of gene therapy, with clinical trials ongoing in the United States for five diseases. There are currently no treatments for patients with late-stage disease in which photoreceptors have been lost. Optogenetic gene therapies are in development, but, to date, have suffered from the low light sensitivity of microbial opsins, such as channelrhodopsin and halorhodopsin, and azobenzene-based photoswitches. Several groups have shown that photoreceptive G-protein-coupled receptors (GPCRs) can be expressed heterologously, and photoactivate endogenous G(i/o) signaling. We hypothesized such a GPCR could increase sensitivity due to endogenous signal amplification. We targeted vertebrate rhodopsin to retinal-ON-bipolar cells of blind rd1 mice and observed restoration of: (i) light responses in retinal explants, (ii) visually-evoked potentials in visual cortex in vivo, and (iii) two forms of visually-guided behavior: innate light avoidance and discrimination of temporal light patterns in the context of fear conditioning. Importantly, both the light responses of the retinal explants and the visually-guided behavior occurred reliably at light levels that were two to three orders of magnitude dimmer than required for channelrhodopsin. Thus, gene therapy with native light-gated GPCRs presents a novel approach to impart light sensitivity for visual restoration in a useful range of illumination.
C1 [Gaub, Benjamin M.; Isacoff, Ehud Y.; Flannery, John G.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA.
[Berry, Michael H.; Holt, Amy E.; Isacoff, Ehud Y.; Flannery, John G.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA.
[Isacoff, Ehud Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Flannery, John G.] Univ Calif Berkeley, Vis Sci, Berkeley, CA 94720 USA.
RP Flannery, JG (reprint author), Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA.
EM ehud@berkeley.edu; flannery@berkeley.edu
FU NEI NIH HHS [R01EY06855, P30EY-, PN2EY018241, PN2 EY018241, R01
EY024958, R01 EY022975]; NINDS NIH HHS [U01 NS090527]
NR 43
TC 13
Z9 13
U1 4
U2 11
PU NATURE PUBLISHING GROUP
PI NEW YORK
PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA
SN 1525-0016
EI 1525-0024
J9 MOL THER
JI Mol. Ther.
PD OCT
PY 2015
VL 23
IS 10
BP 1562
EP 1571
DI 10.1038/mt.2015.121
PG 10
WC Biotechnology & Applied Microbiology; Genetics & Heredity; Medicine,
Research & Experimental
SC Biotechnology & Applied Microbiology; Genetics & Heredity; Research &
Experimental Medicine
GA CT0SX
UT WOS:000362508100004
PM 26137852
ER
PT J
AU Holdaway, D
Errico, R
Gelaro, R
Kim, JG
Mahajan, R
AF Holdaway, Daniel
Errico, Ronald
Gelaro, Ronald
Kim, Jong G.
Mahajan, Rahul
TI A Linearized Prognostic Cloud Scheme in NASA's Goddard Earth Observing
System Data Assimilation Tools
SO MONTHLY WEATHER REVIEW
LA English
DT Article
DE Filtering techniques; Singular vectors; Variational analysis; Cloud
parameterizations; Convective parameterization; Data assimilation
ID 4-DIMENSIONAL VARIATIONAL ASSIMILATION; RELAXED ARAKAWA-SCHUBERT; MOIST
PHYSICS SCHEMES; CONVECTION SCHEME; MESOSCALE MODEL; INITIAL TESTS;
IMPACT; SCALE; 4D-VAR
AB A linearized prognostic cloud scheme has been developed to accompany the linearized convection scheme recently implemented in NASA's Goddard Earth Observing System data assimilation tools. The linearization, developed from the nonlinear cloud scheme, treats cloud variables prognostically so they are subject to linearized advection, diffusion, generation, and evaporation. Four linearized cloud variables are modeled, the ice and water phases of clouds generated by large-scale condensation and, separately, by detraining convection. For each species the scheme models their sources, sublimation, evaporation, and autoconversion. Large-scale, anvil and convective species of precipitation are modeled and evaporated. The cloud scheme exhibits linearity and realistic perturbation growth, except around the generation of clouds through large-scale condensation. Discontinuities and steep gradients are widely used here and severe problems occur in the calculation of cloud fraction. For data assimilation applications this poor behavior is controlled by replacing this part of the scheme with a perturbation model. For observation impacts, where efficiency is less of a concern, a filtering is developed that examines the Jacobian. The replacement scheme is only invoked if Jacobian elements or eigenvalues violate a series of tuned constants. The linearized prognostic cloud scheme is tested by comparing the linear and nonlinear perturbation trajectories for 6-, 12-, and 24-h forecast times. The tangent linear model performs well and perturbations of clouds are well captured for the lead times of interest.
C1 [Holdaway, Daniel; Errico, Ronald; Gelaro, Ronald; Kim, Jong G.; Mahajan, Rahul] NASA, Goddard Space Flight Ctr, Global Modeling & Assimilat Off, Greenbelt, MD 20771 USA.
[Holdaway, Daniel] Univ Space Res Assoc, Goddard Earth Sci Technol & Res, Columbia, MD USA.
[Errico, Ronald] Morgan State Univ, Goddard Earth Sci Technol & Res, Baltimore, MD 21239 USA.
[Kim, Jong G.] Sci Syst & Applicat Inc, Lanham, MD USA.
[Mahajan, Rahul] Oak Ridge Associated Univ, NASA Postdoctoral Program, Oak Ridge, TN USA.
RP Holdaway, D (reprint author), NASA, Goddard Space Flight Ctr, Global Modeling & Assimilat Off, Code 610-1, Greenbelt, MD 20771 USA.
EM dan.holdaway@nasa.gov
RI Holdaway, Daniel/Q-5198-2016
OI Holdaway, Daniel/0000-0002-3672-2588
FU NASA-USRA GESTAR
FX This work is funded under the NASA-USRA GESTAR cooperative agreement.
Thanks to Andrea Molod of GMAO for assistance in deciphering the cloud
model code.
NR 36
TC 0
Z9 0
U1 1
U2 1
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0027-0644
EI 1520-0493
J9 MON WEATHER REV
JI Mon. Weather Rev.
PD OCT
PY 2015
VL 143
IS 10
BP 4198
EP 4219
DI 10.1175/MWR-D-15-0037.1
PG 22
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CS6VK
UT WOS:000362220800020
ER
PT J
AU Konik, RM
Palmai, T
Takacs, G
Tsvelik, AM
AF Konik, R. M.
Palmai, T.
Takacs, G.
Tsvelik, A. M.
TI Studying the perturbed Wess-Zumino-Novikov-Witten SU(2)(k) theory using
the truncated conformal spectrum approach
SO NUCLEAR PHYSICS B
LA English
DT Article
ID QUANTUM-FIELD-THEORY; SINE-GORDON MODEL; MAGNETIC-FIELD; SIGMA-MODEL;
HUBBARD-MODEL; 2 DIMENSIONS; ISING-MODEL; PERTURBATIONS; CHAINS
AB We study the SU(2)(k) Wess-Zumino-Novikov-Witten (WZNW) theory perturbed by the trace of the primary field in the adjoint representation, a theory governing the low-energy behavior of a class of strongly correlated electronic systems. While the model is non-integrable, its dynamics can be investigated using the numerical technique of the truncated conformal spectrum approach combined with numerical and analytical renormalization groups (TCSA+RG). The numerical results so obtained provide support for a semiclassical analysis valid at k >> 1. Namely, we find that the low energy behavior is sensitive to the sign of the coupling constant, lambda. Moreover, for lambda > 0 this behavior depends on whether k is even or odd. With k even, we find definitive evidence that the model at low energies is equivalent to the massive O(3) sigma model. Fork odd, the numerical evidence is more equivocal, but we find indications that the low energy effective theory is critical. (C) 2015 Published by Elsevier B.V.
C1 [Konik, R. M.; Tsvelik, A. M.] Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA.
[Palmai, T.; Takacs, G.] MTA BME Momentum Stat Field Theory Res Grp, H-1111 Budapest, Hungary.
[Takacs, G.] Budapest Univ Technol & Econ, Inst Phys, Dept Theoret Phys, H-1111 Budapest, Hungary.
RP Takacs, G (reprint author), MTA BME Momentum Stat Field Theory Res Grp, Budafoki Ut 8, H-1111 Budapest, Hungary.
EM takacsg@eik.bme.hu
RI Takacs, Gabor/A-5102-2010; Palmai, Tamas/A-9238-2012; Konik,
Robert/L-8076-2016
OI Takacs, Gabor/0000-0002-7075-3580; Palmai, Tamas/0000-0001-8911-313X;
Konik, Robert/0000-0003-1209-6890
FU US DOE [DE-AC02-98 CH 10886]; National Science Foundation [PHY 1208521];
Hungarian Academy of Sciences [LP2012-50/2013]
FX R.M.K. and A.M.T. are supported by the US DOE under contract number
DE-AC02-98 CH 10886. R.M.K. also received support from by the National
Science Foundation under grant No. PHY 1208521. G.T. and T.P. are
supported by Hungarian Academy of Sciences both by Momentum grant
LP2012-50/2013 and a postdoctoral fellowship for T.P.
NR 42
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Z9 8
U1 0
U2 2
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0550-3213
EI 1873-1562
J9 NUCL PHYS B
JI Nucl. Phys. B
PD OCT
PY 2015
VL 899
BP 547
EP 569
DI 10.1016/j.nuclphysb.2015.08.016
PG 23
WC Physics, Particles & Fields
SC Physics
GA CT2AJ
UT WOS:000362604100028
ER
PT J
AU Sitaraman, S
Ham, YS
Gharibyan, N
Peixoto, OJM
Diaz, G
AF Sitaraman, Shivakumar
Ham, Young S.
Gharibyan, Narek
Peixoto, Orpet J. M.
Diaz, Gustavo
TI METHODOLOGY AND SOFTWARE FOR GROSS DEFECT DETECTION OF SPENT NUCLEAR
FUEL AT THE ATUCHA-I REACTOR
SO NUCLEAR TECHNOLOGY
LA English
DT Article
DE spent nuclear fuel; gross defects; nuclear safeguards
AB Fuel assemblies in the spent fuel pool are stored by suspending them in two vertically stacked layers at the Atucha Unit 1 nuclear power plant (Atucha-I). This introduces the unique problem of verifying the presence of fuel in either layer without physically moving the fuel assemblies. Given that the facility uses both natural uranium and slightly enriched uranium at 0.85 wt% U-235 and has been in operation since 1974, a wide range of burnups and cooling times can exist in any given pool. A gross defect detection tool, the spent fuel neutron counter (SFNC), has been used at the site to verify the presence of fuel up to burnups of 8000 MWd/t. At higher discharge burnups, the existing signal processing software of the tool was found to fail due to nonlinearity of the source term with burnup. A new software package based on the LabVIEW platform was developed to predict expected neutron signals covering all ranges of burnups and cooling times. The algorithm employed in the software uses a set of transfer functions that are coupled with source terms based on various cooling times and burnups for each of the two enrichment levels. The software was benchmarked against an extensive set of measured data. Overall, out of 326 data points examined, the software data deviated from the measured data <10% in 87% of the cases. A further 10.5% matched the measurements between 10% and 20%. Thus, 97.5% of the predictions matched the measurements within the set 20% tolerance limit providing proof of the robustness of the software. This software package linked to SFNC will enhance the capability of gross defect verification at both levels in the spent fuel pool for the whole range of burnup, cooling time, and initial enrichments of the spent fuel being discharged into the various pools at the Atucha-I reactor site.
C1 [Sitaraman, Shivakumar; Ham, Young S.; Gharibyan, Narek] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Peixoto, Orpet J. M.] Brazilian Argentine Agcy Accounting & Control Nuc, BR-20040005 Rio De Janeiro, Brazil.
[Diaz, Gustavo] Natl Regulatory Author Argentina, RA-1429 Buenos Aires, DF, Argentina.
RP Sitaraman, S (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
EM sitaraman1@llnl.gov
FU U.S. Department of Energy (DOE) by Lawrence Livermore National
Laboratory [DE-AC52-07NA27344]; DOE International Nuclear Safeguards and
Engagement Program NA241
FX This work was performed under the auspices of the U.S. Department of
Energy (DOE) by Lawrence Livermore National Laboratory under contract
DE-AC52-07NA27344. The authors wish to thank DOE International Nuclear
Safeguards and Engagement Program NA241 for its support for this work.
The authors also wish to thank Nucleoelectrica Argentina S.A. for its
valuable contribution to this project.
NR 11
TC 0
Z9 0
U1 2
U2 4
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5450
EI 1943-7471
J9 NUCL TECHNOL
JI Nucl. Technol.
PD OCT
PY 2015
VL 192
IS 1
BP 74
EP 83
PG 10
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CT2FK
UT WOS:000362617200007
ER
PT J
AU Burckel, DB
Resnick, PJ
Finnegan, PS
Sinclair, MB
Davids, PS
AF Burckel, D. Bruce
Resnick, Paul J.
Finnegan, Patrick S.
Sinclair, Michael B.
Davids, Paul S.
TI Micrometer-scale fabrication of complex three dimensional lattice plus
basis structures in silicon
SO OPTICAL MATERIALS EXPRESS
LA English
DT Article
ID MEMBRANE PROJECTION LITHOGRAPHY; PHOTONIC METAMATERIALS; CRYSTALS;
BANDGAP; INDEX
AB A complementary metal oxide semiconductor (CMOS) compatible version of membrane projection lithography (MPL) for fabrication of micrometer-scale three-dimensional structures is presented. The approach uses all inorganic materials and standard CMOS processing equipment. In a single layer, MPL is capable of creating all 5 2D-Bravais lattices. Furthermore, standard semiconductor processing steps can be used in a layer-by-layer approach to create fully three dimensional structures with any of the 14 3D-Bravais lattices. The unit cell basis is determined by the projection of the membrane pattern, with many degrees of freedom for defining functional inclusions. Here we demonstrate several unique structural motifs, and characterize 2D arrays of unit cells with split ring resonators in a silicon matrix. The structures exhibit strong polarization dependent resonances and, for properly oriented split ring resonators (SRRs), coupling to the magnetic field of a normally incident transverse electromagnetic wave, a response unique to 3D inclusions. (C) 2015 Optical Society of America
C1 [Burckel, D. Bruce; Resnick, Paul J.; Finnegan, Patrick S.; Sinclair, Michael B.; Davids, Paul S.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Burckel, DB (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM dbburck@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 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 24
TC 5
Z9 5
U1 2
U2 7
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 OCT 1
PY 2015
VL 5
IS 10
BP 2231
EP 2239
DI 10.1364/OME.5.002231
PG 9
WC Materials Science, Multidisciplinary; Optics
SC Materials Science; Optics
GA CT0BX
UT WOS:000362460000018
ER
PT J
AU Smalley, JST
Vallini, F
Shahin, S
Kante, B
Fainman, Y
AF Smalley, Joseph S. T.
Vallini, Felipe
Shahin, Shiva
Kante, Boubacar
Fainman, Yeshaiahu
TI Gain-enhanced high-k transmission through metal-semiconductor hyperbolic
metamaterials
SO OPTICAL MATERIALS EXPRESS
LA English
DT Article
ID NEGATIVE-INDEX METAMATERIALS; SPONTANEOUS EMISSION; PLASMON POLARITONS;
WAVE-GUIDES; DIFFRACTION LIMIT; MATRIX-METHOD; SURFACE; LASERS;
PROPAGATION; SIMULATION
AB We analyze the steady-state transmission of high-momentum (high-k) electromagnetic waves through metal-semiconductor multilayer systems with loss and gain in the near-infrared (NIR). Using a semiclassical optical gain model in conjunction with the scattering matrix method (SMM), we study indium gallium arsenide phosphide (InGaAsP) quantum wells as the active semiconductor, in combination with the metals, aluminum-doped zinc oxide (AZO) and silver (Ag). Under moderate external pumping levels, we find that NIR transmission through Ag/InGaAsP systems may be enhanced by several orders of magnitude relative to the unpumped case, over a large angular and frequency bandwidth. Conversely, transmission enhancement through AZO/InGaAsP systems is orders of magnitude smaller, and has a strong frequency dependence. We discuss the relative importance of Purcell enhancement on our results and validate analytical calculations based on the SMM with numerical finite-difference time domain simulations. (C) 2015 Optical Society of America
C1 [Smalley, Joseph S. T.; Vallini, Felipe; Shahin, Shiva; Kante, Boubacar; Fainman, Yeshaiahu] Univ Calif San Diego, Dept Elect & Comp Engn, La Jolla, CA 92103 USA.
[Smalley, Joseph S. T.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albequerque, NM 87185 USA.
RP Smalley, JST (reprint author), Univ Calif San Diego, Dept Elect & Comp Engn, La Jolla, CA 92103 USA.
EM jsmalley@ucsd.edu
RI Vallini, Felipe/E-4206-2016
OI Vallini, Felipe/0000-0002-1746-5950
FU Office of Naval Research Multidisciplinary Research Initiative
[N00014-13-1-0678]; National Science Foundation (NSF) [ECE3972,
ECCS-1229677]; NSF Center for Integrated Access Networks [EEC-0812072,
Sub 502629]; Defense Advanced Research Projects Agency
[N66001-12-1-4205]; Cymer Corporation
FX The authors wish to thank Prof. Antione Moreau for helpful discussions.
This work was supported by the Office of Naval Research
Multidisciplinary Research Initiative (N00014-13-1-0678), the National
Science Foundation (NSF) (ECE3972 and ECCS-1229677), the NSF Center for
Integrated Access Networks (EEC-0812072, Sub 502629), the Defense
Advanced Research Projects Agency (N66001-12-1-4205), and the Cymer
Corporation.
NR 61
TC 5
Z9 5
U1 2
U2 27
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 OCT 1
PY 2015
VL 5
IS 10
BP 2300
EP 2312
DI 10.1364/OME.5.002300
PG 13
WC Materials Science, Multidisciplinary; Optics
SC Materials Science; Optics
GA CT0BX
UT WOS:000362460000025
ER
PT J
AU Munoz-Amatriain, M
Lonardi, S
Luo, MC
Madishetty, K
Svensson, JT
Moscou, MJ
Wanamaker, S
Jiang, T
Kleinhofs, A
Muehlbauer, GJ
Wise, RP
Stein, N
Ma, YQ
Rodriguez, E
Kudrna, D
Bhat, PR
Chao, SM
Condamine, P
Heinen, S
Resnik, J
Wing, R
Witt, HN
Alpert, M
Beccuti, M
Bozdag, S
Cordero, F
Mirebrahim, H
Ounit, R
Wu, YH
You, F
Zheng, J
Simkova, H
Dolezel, J
Grimwood, J
Schmutz, J
Duma, D
Altschmied, L
Blake, T
Bregitzer, P
Cooper, L
Dilbirligi, M
Falk, A
Feiz, L
Graner, A
Gustafson, P
Hayes, PM
Lemaux, P
Mammadov, J
Close, TJ
AF Munoz-Amatriain, Maria
Lonardi, Stefano
Luo, MingCheng
Madishetty, Kavitha
Svensson, Jan T.
Moscou, Matthew J.
Wanamaker, Steve
Jiang, Tao
Kleinhofs, Andris
Muehlbauer, Gary J.
Wise, Roger P.
Stein, Nils
Ma, Yaqin
Rodriguez, Edmundo
Kudrna, Dave
Bhat, Prasanna R.
Chao, Shiaoman
Condamine, Pascal
Heinen, Shane
Resnik, Josh
Wing, Rod
Witt, Heather N.
Alpert, Matthew
Beccuti, Marco
Bozdag, Serdar
Cordero, Francesca
Mirebrahim, Hamid
Ounit, Rachid
Wu, Yonghui
You, Frank
Zheng, Jie
Simkova, Hana
Dolezel, Jaroslav
Grimwood, Jane
Schmutz, Jeremy
Duma, Denisa
Altschmied, Lothar
Blake, Tom
Bregitzer, Phil
Cooper, Laurel
Dilbirligi, Muharrem
Falk, Anders
Feiz, Leila
Graner, Andreas
Gustafson, Perry
Hayes, Patrick M.
Lemaux, Peggy
Mammadov, Jafar
Close, Timothy J.
TI Sequencing of 15622 gene-bearing BACs clarifies the gene-dense regions
of the barley genome
SO PLANT JOURNAL
LA English
DT Article
DE Barley; Hordeum vulgare L; BAC sequencing; gene distribution;
recombination frequency; synteny; centromere BACs; HarvEST:Barley;
Aegilops tauschii
ID BACTERIAL ARTIFICIAL CHROMOSOMES; FLOW-SORTED CHROMOSOMES; DE-NOVO
ASSEMBLER; PHYSICAL MAP; GRASS GENOMES; SINGLE-CELL; EVOLUTION; WHEAT;
RICE; ORGANIZATION
AB Barley (Hordeum vulgare L.) possesses a large and highly repetitive genome of 5.1Gb that has hindered the development of a complete sequence. In 2012, the International Barley Sequencing Consortium released a resource integrating whole-genome shotgun sequences with a physical and genetic framework. However, because only 6278 bacterial artificial chromosome (BACs) in the physical map were sequenced, fine structure was limited. To gain access to the gene-containing portion of the barley genome at high resolution, we identified and sequenced 15622 BACs representing the minimal tiling path of 72052 physical-mapped gene-bearing BACs. This generated 1.7Gb of genomic sequence containing an estimated 2/3 of all Morex barley genes. Exploration of these sequenced BACs revealed that although distal ends of chromosomes contain most of the gene-enriched BACs and are characterized by high recombination rates, there are also gene-dense regions with suppressed recombination. We made use of published map-anchored sequence data from Aegilops tauschii to develop a synteny viewer between barley and the ancestor of the wheat D-genome. Except for some notable inversions, there is a high level of collinearity between the two species. The software HarvEST:Barley provides facile access to BAC sequences and their annotations, along with the barley-Ae.tauschii synteny viewer. These BAC sequences constitute a resource to improve the efficiency of marker development, map-based cloning, and comparative genomics in barley and related crops. Additional knowledge about regions of the barley genome that are gene-dense but low recombination is particularly relevant.
C1 [Munoz-Amatriain, Maria; Madishetty, Kavitha; Svensson, Jan T.; Moscou, Matthew J.; Wanamaker, Steve; Ma, Yaqin; Rodriguez, Edmundo; Bhat, Prasanna R.; Condamine, Pascal; Resnik, Josh; Close, Timothy J.] Univ Calif Riverside, Dept Bot & Plant Sci, Riverside, CA 92521 USA.
[Lonardi, Stefano; Jiang, Tao; Alpert, Matthew; Beccuti, Marco; Bozdag, Serdar; Cordero, Francesca; Mirebrahim, Hamid; Ounit, Rachid; Wu, Yonghui; Zheng, Jie; Duma, Denisa] Univ Calif Riverside, Dept Comp Sci, Riverside, CA 92521 USA.
[Luo, MingCheng; Ma, Yaqin; Witt, Heather N.] Univ Calif Davis, Dept Plant Sci, Davis, CA 95616 USA.
[Svensson, Jan T.] Nord Genet Resource Ctr, SE-23053 Alnarp, Sweden.
[Moscou, Matthew J.] Sainsbury Lab, Norwich NR4 7UH, Norfolk, England.
[Kleinhofs, Andris; Dilbirligi, Muharrem] Washington State Univ, Dept Crop & Soil Sci, Pullman, WA 99164 USA.
[Muehlbauer, Gary J.; Heinen, Shane] Univ Minnesota, Dept Plant Biol, Dept Agron & Plant Genet, St Paul, MN 55108 USA.
[Wise, Roger P.] Iowa State Univ, USDA ARS, Corn Insects & Crop Genet Res, Ames, IA 50011 USA.
[Wise, Roger P.] Iowa State Univ, USDA ARS, Dept Plant Pathol & Microbiol, Ames, IA 50011 USA.
[Stein, Nils; Altschmied, Lothar; Graner, Andreas] Leibniz Inst Plant Genet & Crop Plant Res IPK, D-06466 Gatersleben, Germany.
[Ma, Yaqin] Molefarming Lab USA, Davis, CA 95616 USA.
[Rodriguez, Edmundo] Univ Autonoma Agr Antonio Narro, Dept Ciencias Basicas, Saltillo 25315, Coahuila, Mexico.
[Kudrna, Dave; Wing, Rod] Univ Arizona, Arizona Genom Inst, Tucson, AZ 85721 USA.
[Bhat, Prasanna R.] Monsanto Res Ctr, Bangalore 560092, Karnataka, India.
[Chao, Shiaoman] USDA ARS, Biosci Res Lab, Fargo, ND 58105 USA.
[Resnik, Josh] Ronald Reagan UCLA Med Ctr, Los Angeles, CA 90095 USA.
[Witt, Heather N.] Univ So Calif, Keck Sch Med, Los Angeles, CA 90033 USA.
[Alpert, Matthew] Turtle Rock Studios, Lake Forest, CA 92630 USA.
[Beccuti, Marco; Cordero, Francesca] Univ Turin, Dept Comp Sci, I-10149 Turin, Italy.
[Bozdag, Serdar] Marquette Univ, Dept Math Stat & Comp Sci, Milwaukee, WI 53233 USA.
[Wu, Yonghui] Google Inc, Mountain View, CA 94043 USA.
[You, Frank] USDA ARS, Albany, CA 94710 USA.
[You, Frank] Agr & Agri Food Canada, Morden, MB R6M 1Y5, Canada.
[Zheng, Jie] Nanyang Technol Univ, Sch Comp Engn, Singapore 639798, Singapore.
[Simkova, Hana; Dolezel, Jaroslav] Ctr Reg Hana Biotechnol & Agr Res, Inst Expt Bot, CZ-77200 Olomouc, Czech Republic.
[Grimwood, Jane; Schmutz, Jeremy] Hudson Alpha Genome Sequencing Ctr, DOE Joint Genome Inst, Huntsville, AL 35806 USA.
[Grimwood, Jane; Schmutz, Jeremy] US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA.
[Duma, Denisa] Baylor Coll Med, Jan & Dan Duncan Neurol Res Inst, Houston, TX 77030 USA.
[Blake, Tom; Feiz, Leila] Montana State Univ, Dept Plant Sci & Plant Pathol, Bozeman, MT 59717 USA.
[Bregitzer, Phil] USDA ARS, Aberdeen, ID 83210 USA.
[Cooper, Laurel; Hayes, Patrick M.] Oregon State Univ, Dept Crop & Soil Sci, Corvallis, OR 97331 USA.
[Cooper, Laurel] Oregon State Univ, Dept Bot & Plant Pathol, Corvallis, OR 97331 USA.
[Dilbirligi, Muharrem] Sci & Technol Res Council Turkey, Int Cooperat Dept, TR-06100 Ankara, Turkey.
[Falk, Anders] Swedish Univ Agr Sci, SE-75007 Uppsala, Sweden.
[Feiz, Leila] Cornell Univ, Boyce Thompson Inst Plant Res, Ithaca, NY 14853 USA.
[Gustafson, Perry] Univ Missouri, USDA, Columbia, MO 65211 USA.
[Lemaux, Peggy] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.
[Mammadov, Jafar] Virginia Tech, Dept Crop & Soil Environm Sci, Blacksburg, VA 24061 USA.
[Mammadov, Jafar] Dow AgroSci LLC, Indianapolis, IN 46268 USA.
RP Close, TJ (reprint author), Univ Calif Riverside, Dept Bot & Plant Sci, Riverside, CA 92521 USA.
EM timothy.close@ucr.edu
RI Zheng, Jie/C-1356-2011; Moscou, Matthew/D-5266-2011; Schmutz,
Jeremy/N-3173-2013;
OI Wing, Rod/0000-0001-6633-6226; Altschmied, Lothar/0000-0002-7692-2971;
Zheng, Jie/0000-0001-6774-9786; Moscou, Matthew/0000-0003-2098-6818;
Schmutz, Jeremy/0000-0001-8062-9172; Cordero,
Francesca/0000-0002-3143-3330; Ounit, Rachid/0000-0003-1803-261X
FU USDA Initiative for Future Agriculture and Food Systems
[01-52100-11346]; North American Barley Genome Project [USDA-CSREES
2001-34213-10511]; USDA-CSREES National Research Initiative (NRI)
[2002-35300-12548]; NSF Plant Genome Research Program [DBI-0321756];
BarleyCAP [USDA-CSREES-NRI 2006-55606-16722, USDA-AFRI-NIFA
2009-85606-05701]; USDA-AFRI-NIFA [2009-65300-05645]; TriticeaeCAP
[USDA-NIFA 2010-15718-10]; NSF-ABI [DBI-1062301]; UC Riverside
Agricultural Experiment Station Hatch Project [CA-R-BPS-5306-H]; Office
of Science of the US Department of Energy [DE-AC02-05CH11231]; National
Program of Sustainability I [LO1204]
FX This work was supported by the USDA Initiative for Future Agriculture
and Food Systems 01-52100-11346, North American Barley Genome Project
(USDA-CSREES 2001-34213-10511), USDA-CSREES National Research Initiative
(NRI) 2002-35300-12548, NSF Plant Genome Research Program DBI-0321756,
BarleyCAP (USDA-CSREES-NRI 2006-55606-16722 and USDA-AFRI-NIFA
2009-85606-05701), USDA-AFRI-NIFA 2009-65300-05645, TriticeaeCAP
(USDA-NIFA 2010-15718-10), NSF-ABI DBI-1062301, and UC Riverside
Agricultural Experiment Station Hatch Project CA-R-BPS-5306-H. The work
conducted by the US Department of Energy Joint Genome Institute was
supported by the Office of Science of the US Department of Energy under
Contract No. DE-AC02-05CH11231. H.S and J.D. have been supported by
grant award LO1204 from the National Program of Sustainability I. The
authors also thank the following individuals: for communications
regarding gene-bearing BAC IDs (Nick Collins, Jorge Dubcovsky, Katherine
Feuillet, Kulvinder Gill, Yong Gu, David Laurie, Saghai Maroof, Tim
Sutton, Pingsha Hu); for BAC-clone identification (Faith Lin, Ginger
Mok, Hung Le); for provision of fee-for-service Morex barley research
materials (Michael Atkins, Clemson University Genomics Institute), for
provision of fee-for-service DNA sequencing (John Weger, UC Riverside
Genomics Core Facility), and for other technical assistance (Gianfranco
Ciardo, Raymond Fenton, Hung Le, Harkamal Walia).
NR 60
TC 8
Z9 8
U1 5
U2 20
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 OCT
PY 2015
VL 84
IS 1
BP 216
EP 227
DI 10.1111/tpj.12959
PG 12
WC Plant Sciences
SC Plant Sciences
GA CT1LS
UT WOS:000362560400016
PM 26252423
ER
PT J
AU Dutta, S
Cruz, JA
Jiao, Y
Chen, J
Kramer, DM
Osteryoung, KW
AF Dutta, Siddhartha
Cruz, Jeffrey A.
Jiao, Yuhua
Chen, Jin
Kramer, David M.
Osteryoung, Katherine W.
TI Non-invasive, whole-plant imaging of chloroplast movement and
chlorophyll fluorescence reveals photosynthetic phenotypes independent
of chloroplast photorelocation defects in chloroplast division mutants
SO PLANT JOURNAL
LA English
DT Article
DE Arabidopsis thaliana; chloroplast movement; chloroplast division
mutants; phenomics; non-photochemical quenching; photosynthesis; light
stress; technical advance
ID BLUE-LIGHT; ARABIDOPSIS-THALIANA; AVOIDANCE-RESPONSE; MECHANICAL
STIMULATION; MICROBEAM IRRADIATION; PHOTOSYSTEM-II; LEAVES; CELLS;
PROTEIN; STRESS
AB Leaf chloroplast movement is thought to optimize light capture and to minimize photodamage. To better understand the impact of chloroplast movement on photosynthesis, we developed a technique based on the imaging of reflectance from leaf surfaces that enables continuous, high-sensitivity, non-invasive measurements of chloroplast movement in multiple intact plants under white actinic light. We validated the method by measuring photorelocation responses in Arabidopsis chloroplast division mutants with drastically enlarged chloroplasts, and in phototropin mutants with impaired photorelocation but normal chloroplast morphology, under different light regimes. Additionally, we expanded our platform to permit simultaneous image-based measurements of chlorophyll fluorescence and chloroplast movement. We show that chloroplast division mutants with enlarged, less-mobile chloroplasts exhibit greater photosystemII photodamage than is observed in the wild type, particularly under fluctuating high levels of light. Comparison between division mutants and the severe photorelocation mutant phot1-5phot2-1 showed that these effects are not entirely attributable to diminished photorelocation responses, as previously hypothesized, implying that altered chloroplast morphology affects other photosynthetic processes. Our dual-imaging platform also allowed us to develop a straightforward approach to correct non-photochemical quenching (NPQ) calculations for interference from chloroplast movement. This correction method should be generally useful when fluorescence and reflectance are measured in the same experiments. The corrected data indicate that the energy-dependent (qE) and photoinhibitory (qI) components of NPQ contribute differentially to the NPQ phenotypes of the chloroplast division and photorelocation mutants. This imaging technology thus provides a platform for analyzing the contributions of chloroplast movement, chloroplast morphology and other phenotypic attributes to the overall photosynthetic performance of higher plants.
Significance Statement Here we demonstrate a dual-imaging platform for continuous, high-sensitivity, and non-invasive measurements of chloroplast movement and chlorophyll fluorescence in whole plants. We further introduce an approach to correct calculations of non-photochemical quenching for interference from chloroplast movement. We use this platform and Arabidopsis mutants with drastically enlarged chloroplasts to show that their photosynthetic phenotypes, induced by high-light stress, are due predominantly to altered chloroplast size and shape rather than to reduced chloroplast movement.
C1 [Dutta, Siddhartha; Osteryoung, Katherine W.] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA.
[Cruz, Jeffrey A.; Jiao, Yuhua; Chen, Jin; Kramer, David M.] Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA.
[Cruz, Jeffrey A.; Kramer, David M.] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA.
[Chen, Jin] Michigan State Univ, Dept Comp Sci & Engn, E Lansing, MI 48824 USA.
RP Kramer, DM (reprint author), Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA.
EM osteryou@msu.edu; kramerd8@msu.edu
FU US Department of Energy (DOE), Office of Science, Basic Energy Sciences
(BES) [DE-FG02-06ER15808, DE-FG02-04ER15559, DE-FG02-91ER20021]
FX Work by Siddhartha Dutta, Jeffrey Cruz and Yuhua Jiao was supported by
the US Department of Energy (DOE), Office of Science, Basic Energy
Sciences (BES) under award numbers DE-FG02-06ER15808, DE-FG02-04ER15559
and DE-FG02-91ER20021, respectively. Development of the plant imaging
system was supported by the Michigan State University Center for
Advanced Algal and Plant Phenotyping. We thank Dr. Stefanie Tietz for
NPQ data on phot2-1, Linda Savage for technical help, and Prof.
Masamitsu Wada for providing gl1, phot1-5, phot2-1 and phot1-5 phot2-1
seeds.
NR 97
TC 4
Z9 4
U1 5
U2 38
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 OCT
PY 2015
VL 84
IS 2
BP 428
EP 442
DI 10.1111/tpj.13009
PG 15
WC Plant Sciences
SC Plant Sciences
GA CT3FG
UT WOS:000362692000015
PM 26332826
ER
PT J
AU Bacik, JP
Yeager, CM
Twary, SN
Marti-Arbona, R
AF Bacik, John-Paul
Yeager, Chris M.
Twary, Scott N.
Marti-Arbona, Ricardo
TI Modulation of FadR Binding Capacity for Acyl-CoA Fatty Acids Through
Structure-Guided Mutagenesis
SO PROTEIN JOURNAL
LA English
DT Article
DE FadR; Acyl-CoA; Transcription factor; Fatty acid metabolism; Lipid
production
ID TRANSCRIPTION FACTOR FADR; ESCHERICHIA-COLI; METABOLISM; EXPRESSION;
REGULATOR; COENZYME; DNA; REPRESSOR; YERSINIAE; BACTERIA
AB FadR is a versatile global regulator in Escherichia coli that controls fatty acid metabolism and thereby modulates the ability of this bacterium to grow using fatty acids or acetate as the sole carbon source. FadR regulates fatty acid metabolism in response to intra-cellular concentrations of acyl-CoA lipids. The ability of FadR to bind acyl-CoA fatty acids is thus of significant interest for the engineering of biosynthetic pathways for the production of lipid-based biofuels and commodity chemicals. Based on the available crystal structure of E. coli bound to myristoyl-CoA, we predicted amino acid positions within the effector binding pocket that would alter the ability of FadR to bind acyl-CoA fatty acids without affecting DNA binding. We utilized fluorescence polarization to characterize the in vitro binding properties of wild type and mutant FadR. We found that a Leu102Ala mutant enhanced binding of the effector, likely by increasing the size of the binding pocket for the acyl moiety of the molecule. Conversely, the elimination of the guanidine side chain (Arg213Ala and Arg213Met mutants) of the CoA moiety binding site severely diminished the ability of FadR to bind the acyl-CoA effector. These results demonstrate the ability to fine tune FadR binding capacity. The validation of an efficient method to fully characterize all the binding events involved in the specific activity (effector and DNA operator binding) of FadR has allowed us to increase our understanding of the role of specific amino acids in the binding and recognition of acyl-CoA fatty acids and will greatly facilitate efforts aimed at engineering tunable FadR regulators for synthetic biology.
C1 [Bacik, John-Paul; Yeager, Chris M.; Twary, Scott N.; Marti-Arbona, Ricardo] Los Alamos Natl Lab, Biosci Div, Bioenergy & Biome Sci Grp, Los Alamos, NM 87544 USA.
[Marti-Arbona, Ricardo] Los Alamos Natl Lab, Biosci Div, Grp B11, Los Alamos, NM 87544 USA.
Los Alamos Natl Lab, Biosci Div, Bioenergy & Biome Sci Grp, Los Alamos, NM 87544 USA.
RP Marti-Arbona, R (reprint author), Los Alamos Natl Lab, Biosci Div, Bioenergy & Biome Sci Grp, POB 1663, Los Alamos, NM 87544 USA.
EM rm-a@lanl.gov
OI Twary, Scott/0000-0002-5074-6658
NR 28
TC 0
Z9 0
U1 1
U2 6
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1572-3887
EI 1573-4943
J9 PROTEIN J
JI Protein J.
PD OCT
PY 2015
VL 34
IS 5
BP 359
EP 366
DI 10.1007/s10930-015-9630-1
PG 8
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA CT1SM
UT WOS:000362581200005
PM 26385696
ER
PT J
AU Rana, R
Gibbs, PJ
De Moor, E
Speer, JG
Matlock, DK
AF Rana, Radhakanta
Gibbs, Paul J.
De Moor, Emmanuel
Speer, John G.
Matlock, David K.
TI A Composite Modeling Analysis of the Deformation Behavior of Medium
Manganese Steels
SO STEEL RESEARCH INTERNATIONAL
LA English
DT Article; Proceedings Paper
CT 2nd International Conference on High Manganese Steels (HMnS)
CY 2014
CL Aachen, GERMANY
DE austenite amount; austenite stability; composite model; medium Mn TRIP
steels
ID TRANSFORMATION-INDUCED PLASTICITY; MECHANICAL-PROPERTIES; MARTENSITIC
TRANSFORMATIONS; STAINLESS-STEEL; SHEET STEELS; STRAIN-RATE; TRIP STEEL;
AUSTENITE; STRENGTH; TEMPERATURE
AB A composite model with different assumed flow behaviors for the individual microstructural constituents and stability parameters for the metastable austenite transformation is presented and shown to provide design insight into the development of third-generation advanced high strength steels with a wide spectrum of tensile properties. The deformation behavior of a Fe-7.09 Mn-0.099 C-0.13 Si (wt%) steel is evaluated with uniaxial tensile testing and the results are correlated with predictions of the composite model. It is shown that the present simple composite model can predict tensile strength and uniform elongation with good accuracy over a range of austenite volume fractions in the steel. The analysis is based on Mn enrichment into austenite during intercritical annealing of the steel resulting in microstructures with significant variations in the amount and stability of austenite. Strategies for controlling the stability and amount of austenite in medium Mn steels are also presented in low carbon, nominally 5-10 wt% Mn-containing steels with/without Al as an alloying addition.
C1 [Rana, Radhakanta; De Moor, Emmanuel; Speer, John G.; Matlock, David K.] Colorado Sch Mines, Adv Steel Proc & Prod Res Ctr, Golden, CO 80401 USA.
[Gibbs, Paul J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Matlock, DK (reprint author), Colorado Sch Mines, Adv Steel Proc & Prod Res Ctr, Golden, CO 80401 USA.
EM dmatlock@mines.edu
RI de moor, emmanuel/E-9373-2012
OI de moor, emmanuel/0000-0001-6538-1121
FU Department of Energy National Energy Technology Laboratory
[DE-EE0005976]; agency of United States Government; Advanced Steel
Processing & Products Research Center
FX This material was based upon work supported by the Department of Energy
National Energy Technology Laboratory under Award Number(s)
DE-EE0005976.; 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.; Further, authors gratefully
acknowledge the support provided by the sponsors of Advanced Steel
Processing & Products Research Center for conducting part of this work,
and also would like to thank Los Alamos National Laboratory for neutron
diffraction measurements.
NR 40
TC 5
Z9 5
U1 0
U2 12
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1611-3683
EI 1869-344X
J9 STEEL RES INT
JI Steel Res. Int.
PD OCT
PY 2015
VL 86
IS 10
BP 1139
EP 1150
DI 10.1002/srin.201400577
PG 12
WC Metallurgy & Metallurgical Engineering
SC Metallurgy & Metallurgical Engineering
GA CT1ML
UT WOS:000362562400003
ER
PT J
AU Knoshaug, EP
Vidgren, V
Magalhaes, F
Jarvis, EE
Franden, MA
Zhang, M
Singh, A
AF Knoshaug, Eric P.
Vidgren, Virve
Magalhaes, Frederico
Jarvis, Eric E.
Franden, Mary Ann
Zhang, Min
Singh, Arjun
TI Novel transporters from Kluyveromyces marxianus and Pichia
guilliermondii expressed in Saccharomyces cerevisiae enable growth on
l-arabinose and d-xylose
SO YEAST
LA English
DT Article
DE arabinose; xylose; transport; yeast; GAL2
ID YEAST HEXOSE TRANSPORTERS; FUNCTIONAL EXPRESSION; GALACTOSE TRANSPORT;
MALTOSE TRANSPORTER; PENTOSE UTILIZATION; CANDIDA-INTERMEDIA; SUGAR
TRANSPORTERS; GLUCOSE-TRANSPORT; FERMENTATION; ETHANOL
AB Genes encoding l-arabinose transporters in Kluyveromyces marxianus and Pichia guilliermondii were identified by functional complementation of Saccharomyces cerevisiae whose growth on l-arabinose was dependent on a functioning l-arabinose transporter, or by screening a differential display library, respectively. These transporters also transport d-xylose and were designated KmAXT1 (arabinose-xylose transporter) and PgAXT1, respectively. Transport assays using l-arabinose showed that KmAxt1p has K-m 263mm and V-max 57nm/mg/min, and PgAxt1p has K-m 0.13mm and V-max 18nm/mg/min. Glucose, galactose and xylose significantly inhibit l-arabinose transport by both transporters. Transport assays using d-xylose showed that KmAxt1p has K-m 27mm and V-max 3.8nm/mg/min, and PgAxt1p has K-m 65mm and V-max 8.7nm/mg/min. Neither transporter is capable of recovering growth on glucose or galactose in a S. cerevisiae strain deleted for hexose and galactose transporters. Transport kinetics of S. cerevisiae Gal2p showed K-m 371mm and V-max 341nm/mg/min for l-arabinose, and K-m 25mm and V-max 76nm/mg/min for galactose. Due to the ability of Gal2p and these two newly characterized transporters to transport both l-arabinose and d-xylose, one scenario for the complete usage of biomass-derived pentose sugars would require only the low-affinity, high-throughput transporter Gal2p and one additional high-affinity general pentose transporter, rather than dedicated d-xylose or l-arabinose transporters. Additionally, alignment of these transporters with other characterized pentose transporters provides potential targets for substrate recognition engineering. Accession Nos: KmAXT1: GZ791039; PgAXT1: GZ791040 Copyright (c) 2015 John Wiley & Sons, Ltd.
C1 [Knoshaug, Eric P.; Jarvis, Eric E.; Franden, Mary Ann; Zhang, Min; Singh, Arjun] Natl Bioenergy Ctr, Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Vidgren, Virve; Magalhaes, Frederico] VTT Tech Res Ctr Finland, Espoo 02044, Finland.
RP Knoshaug, EP (reprint author), Natl Bioenergy Ctr, Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM eric.knoshaug@nrel.gov
OI Magalhaes, Frederico/0000-0002-7939-9186
NR 64
TC 1
Z9 1
U1 3
U2 24
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0749-503X
EI 1097-0061
J9 YEAST
JI Yeast
PD OCT
PY 2015
VL 32
IS 10
BP 615
EP 628
DI 10.1002/yea.3084
PG 14
WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Microbiology; Mycology
SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Microbiology; Mycology
GA CT1RJ
UT WOS:000362578000001
PM 26129747
ER
PT J
AU Johnson, GR
Werner, S
Bell, AT
AF Johnson, Gregory R.
Werner, Sebastian
Bell, Alexis T.
TI An Investigation into the Effects of Mn Promotion on the Activity and
Selectivity of Co/SiO2 for Fischer-Tropsch Synthesis: Evidence for
Enhanced CO Adsorption and Dissociation
SO ACS CATALYSIS
LA English
DT Article
DE Fischer-Tropsch synthesis; heterogeneous catalysis; cobalt; manganese;
promotion
ID SUPPORTED COBALT CATALYSTS; CARBON-MONOXIDE HYDROGENATION;
RAY-ABSORPTION-SPECTROSCOPY; MANGANESE OXIDE CATALYSTS; STEM-EELS;
METALS; SILICA; EXAFS; XPS; H-2
AB Mn is an effective promoter for improving the activity and selectivity of Co-based Fischer-Tropsch synthesis (FTS) catalysts, but the mechanism by which this promoter functions is poorly understood. The work reported here was aimed at defining the manner in which Mn interacts with Co and determining how these interactions affect the activity and selectivity of Co. Detailed measurements are reported for the kinetics of FTS as a function of Mn/Co ratio, temperature, and reactant partial pressure. These data are described by a single, two-parameter rate expression. Mn promotion was found to increase both the apparent rate constant for CO consumption and the CO adsorption constant. Further evidence for enhanced CO adsorption and dissociation was obtained from measurements of temperature-programmed desorption of CO and CO disproportionation rates, respectively. Quantitative analysis of elemental maps obtained by STEM-EDS revealed that the promoter accumulates preferentially on the surface of Co nanoparticles at low Mn loadings, resulting in a rapid onset of improvements in the product selectivity as the Mn loading increases. For catalysts prepared with loadings higher than Mn/Co = 0.1, the additional Mn accumulates in the form of nanometer-scale particles of MnO on the support. In situ IR spectra of adsorbed CO show that Mn promotion increases the abundance of adsorbed CO with weakened C-O bonds. It is proposed that the cleavage of the C-O bond is promoted through Lewis acid base interactions between the Mn2+ cations located at the edges of MnO islands covering the Co nanoparticles and the 0 atom of CO adsorbates adjacent to the MnO islands. The observed decrease in selectivity to CH4 and the increased selectivity to C5+ with increasing Mn/Co ratio are attributed to a decrease in the ratio of adsorbed H to CO on the surface of the supported Co nanoparticles.
C1 [Johnson, Gregory R.; Werner, Sebastian; Bell, Alexis T.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Bell, Alexis T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Bell, AT (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
EM bell@cchem.berkeley.edu
RI Foundry, Molecular/G-9968-2014; BM, MRCAT/G-7576-2011
FU BP XC2 program; Office of Science, Office of Basic Energy Sciences, U.S.
Department of Energy [DE-AC02-05CH11231]; DOE Office of Science by
Argonne National Laboratory [DE-AC02-06CH11357]
FX The work was funded by the BP XC2 program. Work at the
Molecular Foundry was supported by the Office of Science, Office of
Basic Energy Sciences, of the U.S. Department of Energy under Contract
No. DE-AC02-05CH11231. 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 grateful for
discussions and TEM instrument training provided by Dr. Karen C.
Bustillo. We acknowledge assistance with the XAS experiments from Dr.
John Katsoudas, Dr. Joshua Wright, Dr. Andrew "Bean" Getsoian, Dr.
Konstantinos Goulas, John Howell, Christopher Ho, and Alice Yeh.
Furthermore, we acknowledge Dr. Konstantinos Goulas for collecting the
CO TPD data presented in this work.
NR 68
TC 12
Z9 12
U1 18
U2 102
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 OCT
PY 2015
VL 5
IS 10
BP 5888
EP 5903
DI 10.1021/acscatal.5b01578
PG 16
WC Chemistry, Physical
SC Chemistry
GA CS9EI
UT WOS:000362391500024
ER
PT J
AU Bailey, DH
Borwein, JM
AF Bailey, D. H.
Borwein, J. M.
TI Crandall's computation of the incomplete Gamma function and the Hurwitz
zeta function, with applications to Dirichlet L-series
SO APPLIED MATHEMATICS AND COMPUTATION
LA English
DT Article
DE Incomplete gamma function; Lerch transcendent function; Hurwitz zeta
function; Dirichlet L-series; Poly logarithms; Character polylogarithms
AB This paper extends tools developed by Crandall (2012) [16] to provide robust, high-precision methods for computation of the incomplete Gamma function and the Lerch transcendent. We then apply these to the corresponding computation of the Hurwitz zeta function and so of Dirichlet L-series and character polylogarithms. (C) 2015 Elsevier Inc. All rights reserved.
C1 [Bailey, D. H.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Bailey, D. H.] Univ Calif Davis, Davis, CA 95616 USA.
[Borwein, J. M.] Univ Newcastle, CARMA, Callaghan, NSW 2303, Australia.
EM david@davidbailey.com; jon.borwein@gmail.com
FU Australian Research Council [DP140101417]
FX Research supported in part by Australian Research Council grant
DP140101417. Thanks are due to Andrew Mattingly (especially for Figs. 1
and 2), Victor Moll, and to Armin Straub for useful discussions. We also
wish to acknowledge computer equipment provided for our use by Apple
Computers, under a Cooperative Research Agreement, and by Lawrence
Berkeley National Laboratory.
NR 27
TC 1
Z9 1
U1 1
U2 5
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 0096-3003
EI 1873-5649
J9 APPL MATH COMPUT
JI Appl. Math. Comput.
PD OCT 1
PY 2015
VL 268
BP 462
EP 477
DI 10.1016/j.amc.2015.06.048
PG 16
WC Mathematics, Applied
SC Mathematics
GA CS0RD
UT WOS:000361769000039
ER
PT J
AU Feigenbaum, E
Nielsen, N
Matthews, MJ
AF Feigenbaum, Eyal
Nielsen, Norman
Matthews, Manyalibo J.
TI Measurement of optical scattered power from laser-induced shallow pits
on silica
SO APPLIED OPTICS
LA English
DT Article
ID INDUCED DAMAGE SITES; COMPONENTS; SURFACES
AB A model describing far-field scattered power and irradiance by a silica glass slab with a shallow-pitted exit surface is experimentally validated. The comparison to the model is performed using a precisely micromachined ensemble of similar to 11 mu m wide laser ablated shallow pits producing 1% of the incident beam scatter in a 10 mrad angle. A series of samples with damage initiations and laser-induced shallow pits resulting from 351 nm, 5 ns pulsed laser cleaning of metal microparticles at different fluences between 2 J/cm(2) and 11 J/cm(2) are characterized as well and found in good agreement with model predictions. (C) 2015 Optical Society of America
C1 [Feigenbaum, Eyal] Lawrence Livermore Natl Lab, Natl Ignit Facil, Livermore, CA 94550 USA.
Lawrence Livermore Natl Lab, Photon Sci, Livermore, CA 94550 USA.
RP Feigenbaum, E (reprint author), Lawrence Livermore Natl Lab, Natl Ignit Facil, 7000 East Ave, Livermore, CA 94550 USA.
EM eyal@llnl.gov
FU Laboratory Directed Research and Development (LDRD) [14-ERD-098]; U.S.
Department of Energy (DOE) [DE-AC52-07NA27344]
FX Laboratory Directed Research and Development (LDRD) (14-ERD-098); U.S.
Department of Energy (DOE) (DE-AC52-07NA27344).
NR 14
TC 5
Z9 5
U1 0
U2 8
PU OPTICAL SOC AMER
PI WASHINGTON
PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA
SN 1559-128X
EI 2155-3165
J9 APPL OPTICS
JI Appl. Optics
PD OCT 1
PY 2015
VL 54
IS 28
BP 8554
EP 8560
DI 10.1364/AO.54.008554
PG 7
WC Optics
SC Optics
GA CS7BA
UT WOS:000362237300082
PM 26479634
ER
PT J
AU Qian, S
Heller, WT
AF Qian, Shuo
Heller, William T.
TI Melittin-induced cholesterol reorganization in lipid bilayer membranes
SO BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
LA English
DT Article
DE Membrane active peptides; Lipid bilayers; Small-angle neutron
scattering; Melittin; Cholesterol
ID ANGLE NEUTRON-SCATTERING; ANTIMICROBIAL PEPTIDES; CIRCULAR-DICHROISM;
DIMYRISTOYLPHOSPHATIDYLCHOLINE BILAYERS; PROTEIN COMPLEXES; X-RAY;
ALAMETHICIN; DIFFRACTION; PHASE; REFINEMENT
AB The peptide melittin, a 26 amino acid, cationic peptide from honey bee (Apis mellifera) venom, disrupts lipid bilayer membranes in a concentration-dependent manner. Rather than interacting with a specific receptor, the peptide interacts directly with the lipid matrix of the membrane in a manner dependent on the lipid composition. Here, a small-angle neutron scattering study of the interaction of melittin with lipid bilayers made of mixtures of dimyristoylphosphatidylcholine (DMPC) and cholesterol (Chol) is presented. Through the use of deuterium-labeled DMPC, changes in the distribution of the lipid and cholesterol in unilamellar vesicles were observed for peptide concentrations below those that cause pores to form. In addition to disrupting the in-plane organization of Chol, melittin produces vesides having inner and outer leaflet compositions that depend on the lipid-Chol molar ratio and on the peptide concentration. The changes seen at high cholesterol and low peptide concentration are similar to those produced by alamethicin (Qian, S. et al., J. Phys. Chem. B 2014, 118,11200-11208), which points to an underlying physical mechanism driving the redistribution of Chol, but melittin displays an additional effect not seen with alamethicin. A model for how the peptide drives the redistribution of Chol is proposed. The results suggest that redistribution of the lipids in a target cell membrane by membrane active peptides takes places as a prelude to the lysis of the cell. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Qian, Shuo; Heller, William T.] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA.
[Qian, Shuo] Oak Ridge Natl Lab, Ctr Struct Mol Biol, Oak Ridge, TN 37831 USA.
RP Heller, WT (reprint author), Oak Ridge Natl Lab, POB 2008,MS-6473, Oak Ridge, TN 37831 USA.
EM hellerwt@ornl.gov
OI Qian, Shuo/0000-0002-4842-828X
FU Laboratory Directed Research and Development program of Oak Ridge
National Laboratory; Office of Biological and Environmental Research of
the US Department of Energy [FWP ERKP291]; Scientific User Facilities
Division, Office of Basic Energy Sciences, US Department of Energy
FX A portion of this work was supported by the Laboratory Directed Research
and Development program of Oak Ridge National Laboratory. The Oak Ridge
National Laboratory Center for Structural Molecular Biology (FWP
ERKP291) is supported by the Office of Biological and Environmental
Research of the US Department of Energy. Research at the High Flux
Isotope Reactor and at the Spallation Neutron Source of Oak Ridge
National Laboratory was sponsored by the Scientific User Facilities
Division, Office of Basic Energy Sciences, US Department of Energy.
NR 56
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Z9 6
U1 3
U2 31
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0005-2736
EI 0006-3002
J9 BBA-BIOMEMBRANES
JI Biochim. Biophys. Acta-Biomembr.
PD OCT
PY 2015
VL 1848
IS 10
BP 2253
EP 2260
DI 10.1016/j.bbamem.2015.06.012
PN A
PG 8
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA CS5YE
UT WOS:000362153400034
PM 26074009
ER
PT J
AU Smith, M
Ha, S
Amonette, JE
Dallmeyer, I
Garcia-Perez, M
AF Smith, Matthew
Ha, Su
Amonette, James E.
Dallmeyer, Ian
Garcia-Perez, Manuel
TI Enhancing cation exchange capacity of chars through ozonation
SO BIOMASS & BIOENERGY
LA English
DT Article
DE Biochar; Pseudotsuga menziessii; Ozone; Surface acidity; Carboxylic
groups; Lactonic groups
ID ACTIVATED CARBONS; AQUEOUS-SOLUTIONS; AMORPHOUS-CARBON; OZONE OXIDATION;
ADSORPTION; AMMONIA; OXIDES; PYROLYSIS; TITRATION; KINETICS
AB The use of ozone to increase the cation exchange capacity (CEC) of two chars produced from pyrolysis of Douglas fir (Pseudotsuga menziessii) and a control bituminous coal activated carbon (AC) is reported. Chars were produced from the wood fraction of Douglas fir (DFWC) and the bark (DFBC) at 500 degrees C using an auger driven reactor with a nitrogen sweep gas under mild vacuum. Five ozone treatment times, ranging from 5 min to 60 min, were investigated. The initial properties of each char were found to differ significantly from the other samples in terms of surface area, proximate composition, and elemental composition. DFWC did not show significant mass loss or temperature variation during ozone treatment; however, after 1 h of oxidation both DFBC and AC samples resulted in 20% and 30% mass loss, respectively, and reactor temperatures in excess of 60 degrees C. Analysis of the pore size distribution of each treatment shows that ozone treatment did not significantly affect small micropores after 30 min of treatment for any material, but did reduce the apparent surface area of mesopores. Increases in carboxylic groups were identified with ozone treatment and found to correlate strongly with changes in measured CEC. The formation of lactone was found to correlate positively with reactor temperature during oxidation. These results indicate that the properties of chars, including surface area, pore structure, and chemical composition, as well as reactor conditions strongly affect the ozone oxidation of chars. (c) 2015 Elsevier Ltd. All rights reserved.
C1 [Smith, Matthew; Garcia-Perez, Manuel] Washington State Univ, Dept Biol Syst Engn, Pullman, WA 99164 USA.
[Ha, Su] Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA.
[Amonette, James E.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA.
[Dallmeyer, Ian] Washington State Univ, Composite Mat & Engn Ctr, Pullman, WA 99164 USA.
RP Garcia-Perez, M (reprint author), LJ Smith, Dept Biol Syst Engn, Room 205,POB 646120, Pullman, WA 99164 USA.
EM mgarcia-perez@wsu.edu
OI Garcia-Perez, Manuel/0000-0002-9386-2632
FU Washington State Department of Agriculture; Washington State University
Agricultural Research Centre [0701]
FX This project was financially supported by Washington State Department of
Agriculture through the Appendix A program. Funding was also provided by
the Washington State University Agricultural Research Centre through
Hatch Project 0701.
NR 42
TC 3
Z9 3
U1 3
U2 16
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0961-9534
EI 1873-2909
J9 BIOMASS BIOENERG
JI Biomass Bioenerg.
PD OCT
PY 2015
VL 81
BP 304
EP 314
DI 10.1016/j.biombioe.2015.07.012
PG 11
WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy &
Fuels
SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels
GA CS5QZ
UT WOS:000362134400039
ER
PT J
AU del Rio, JC
Lino, AG
Colodette, JL
Lima, CF
Gutierrez, A
Martinez, AT
Lu, FC
Ralph, J
Rencoret, J
AF del Rio, Jose C.
Lino, Alessandro G.
Colodette, Jorge L.
Lima, Claudio F.
Gutierrez, Ana
Martinez, Angel T.
Lu, Fachuang
Ralph, John
Rencoret, Jorge
TI Differences in the chemical structure of the lignins from sugarcane
bagasse and straw
SO BIOMASS & BIOENERGY
LA English
DT Article
DE Saccharum spp.; NMR; DFRC; Tricin Lignin acylation; p-Coumarates
ID THERMALLY ASSISTED HYDROLYSIS; STEAM EXPLOSION PRETREATMENT; DFRC
METHOD; BIOETHANOL PRODUCTION; ENZYMATIC-HYDROLYSIS; SINAPYL ACETATE;
ETHER CLEAVAGE; MAIZE LIGNIN; CANE BAGASSE; LIGNIFICATION
AB Two major residues are produced by the sugarcane industry, the fibrous fraction following juice extraction (bagasse), and the harvest residue (straw). The structures of the lignins from these residues were studied by pyrolysis coupled to gas chromatography-mass spectrometry (Py-GC/MS), nuclear magnetic resonante (NMR), and derivatization followed by reductive cleavage (DFRC). Whereas the lignin from bagasse has a syringyl-rich p-hydroxyphenyl:guaiacyl:syringyl (H:G:S) molar composition of 2:38:60, the lignin from straw is guaiacyl-rich (H:G:S of 4:68:28). The compositional differences were also reflected in the relative abundances of the different interunit linkages. Bagasse lignin was primarily 0 -O-4' alkyl-aryl ether substructures (representing 83% of NMR-measurable linkages), followed by minor amounts of 3-5' (phenylcoumarans, 6%) and other condensed substructures. The lignin from straw has lower levels of beta-ethers (75%) but higher relative levels of phenylcoumarans (0-5', 15%) and dibenzodioxocins (5-5/4-O-beta, 3%), consistent with a lignin enriched in G-units. Both lignins are extensively acylated at the gamma-hydroxyl of the lignin side-chain (42% and 36% acylation in bagasse and straw), predominantly with p-coumarates (preferentially on S-units) but also with acetates (preferentially on Gunits) to a minor extent. Tetrahydrofuran structures diagnostically arising from beta-beta-coupling (dehydrodimerization) of sinapyl p-coumarate or its cross-coupling with sinapyl alcohol were found in both lignins, indicating that sinapyl p-coumarate acts as a monomer participating in lignification. The flavone tricin was also found in the lignins from sugarcane, as also occurs in other grasses. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [del Rio, Jose C.; Lino, Alessandro G.; Gutierrez, Ana; Rencoret, Jorge] CSIC, IRNAS, E-41080 Seville, Spain.
[Lino, Alessandro G.; Lima, Claudio F.] Univ Fed Vicosa, Dept Chem, BR-36570000 Vicosa, MG, Brazil.
[Colodette, Jorge L.] Univ Fed Vicosa, Dept Forestry Engn, BR-36570000 Vicosa, MG, Brazil.
[Martinez, Angel T.] CSIC, CIB, E-28040 Madrid, Spain.
[Lu, Fachuang; Ralph, John] Univ Wisconsin, Dept Biochem, Wisconsin Bioenergy Inst, Madison, WI 53726 USA.
[Lu, Fachuang; Ralph, John] Univ Wisconsin, Dept Biol Syst Engn, Wisconsin Bioenergy Inst, Madison, WI 53726 USA.
[Lu, Fachuang; Ralph, John] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53726 USA.
RP del Rio, JC (reprint author), CSIC, IRNAS, POB 1052, E-41080 Seville, Spain.
EM delrio@irnase.csic.es
RI Lima, C/F-9897-2010; del Rio, Jose/I-8325-2012; RENCORET,
JORGE/E-1747-2013;
OI Lima, C/0000-0003-4591-6787; del Rio, Jose/0000-0002-3040-6787;
RENCORET, JORGE/0000-0003-2728-7331; Guarino Lino,
Alessandro/0000-0003-0281-289X; Gutierrez, Ana/0000-0002-8823-9029;
Martinez, Angel T/0000-0002-1584-2863
FU FEDER funds; CSIC [2014-40E-097]; EU [KBBE-2009-3-244362,
KBBE-2013-7-613549]; DOE Great Lakes Bioenergy Research Center
(Department of Energy's Biological and Environmental Research Office of
Science) [DE-FC02-07ER64494]; CSIC; Fondo Social Europeo (FSE); CAPES
(Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior); National
Council for Scientific and Technological Development (CNPq);
[AGL2011-25379]; [AGL2014-53730-R]; [CTQ2014-60764-JIN]
FX This study has been funded by the Spanish projects AGL2011-25379,
AGL2014-53730-R and CTQ2014-60764-JIN (co-financed by FEDER funds), the
CSIC project 2014-40E-097 and the EU-projects LIGNODECO
(KBBE-2009-3-244362) and INDOX (KBBE-2013-7-613549). John Ralph was
funded through the DOE Great Lakes Bioenergy Research Center (Department
of Energy's Biological and Environmental Research Office of Science
DE-FC02-07ER64494). Jorge Rencoret thanks the CSIC for a JAE-DOC
contract of the program "Junta para la Ampliacion de Estudios"
co-financed by Fondo Social Europeo (FSE). A.G. Lino thanks CAPES
(Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior) for
financial support. C.F. Lima and J.L. Colodette are grateful to National
Council for Scientific and Technological Development (CNPq) for research
fellowships. We also thank Dr. Manuel Angulo for performing the NMR
analyses that were acquired on a Bruker Avance III 500 MHz instrument
from the NMR facilities of the General Research Services of the
University of Seville (SGI-CITIUS).
NR 61
TC 17
Z9 17
U1 10
U2 73
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0961-9534
EI 1873-2909
J9 BIOMASS BIOENERG
JI Biomass Bioenerg.
PD OCT
PY 2015
VL 81
BP 322
EP 338
DI 10.1016/j.biombioe.2015.07.006
PG 17
WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy &
Fuels
SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels
GA CS5QZ
UT WOS:000362134400041
ER
PT J
AU Rowe, CA
Patton, HJ
AF Rowe, Charlotte A.
Patton, Howard J.
TI Investigation of Structural Heterogeneity at the SPE Site Using Combined
P-Wave Travel Times and Rg Phase Velocities
SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA
LA English
DT Article
ID SURFACE-WAVES; SPECTRAL-ANALYSIS; RECEIVER-FUNCTION; RAYLEIGH-WAVES;
INVERSION; DISPERSION; INTERFACE
AB We present analyses of the 2D seismic structure beneath Source Physics Experiments (SPE) geophone lines that extended radially at 100 m spacing from 100 to 2000 m from the source borehole. With seismic sources at only one end of the geophone lines, standard refraction profiling methods cannot resolve seismic velocity structures unambiguously. In previous work, we demonstrated overall agreement between body-wave refraction modeling and Rg dispersion curves for the least complex of the five lines. A more detailed inspection supports a 2D reinterpretation of the structure. We obtained Rg phase velocity measurements in both the time and frequency domains, then used iterative adjustment of the initial 1D body-wave model to predict Rg dispersion curves to fit the observed values. Our method applied to the most topographically severe of the geophone lines is supplemented with a 2D ray-tracing approach, whose application to P-wave arrivals supports the Rg analysis. In addition, midline sources will allow us to refine our characterization in future work.
C1 [Rowe, Charlotte A.; Patton, Howard J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Rowe, CA (reprint author), Los Alamos Natl Lab, EES 17,MS F-665, Los Alamos, NM 87545 USA.
EM char@lanl.gov
OI Rowe, Charlotte/0000-0001-5803-0147
FU Los Alamos National Laboratory [DE-AC52-06NA25946]
FX The Source Physics Experiments (SPE) would not have been possible
without the support of many people from several organizations. We thank
Jonathan MacCarthy for constructive review comments. The authors wish to
express their gratitude to the National Nuclear Security Administration,
Defense Nuclear Nonproliferation Research and Development (DNN R&D), and
the SPE working group, a multi-institutional and interdisciplinary group
of scientists and engineers. This work was performed at Los Alamos
National Laboratory under Award Number DE-AC52-06NA25946. This is Los
Alamos Unlimited Release Number LA-UR-14-28128. Some data analysis and
display were performed using Seismic Analysis Code (SAC) (Goldstein et
al., 2003) and MATLAB (see Data and Resources).
NR 21
TC 2
Z9 2
U1 0
U2 4
PU SEISMOLOGICAL SOC AMER
PI ALBANY
PA 400 EVELYN AVE, SUITE 201, ALBANY, CA 94706-1375 USA
SN 0037-1106
EI 1943-3573
J9 B SEISMOL SOC AM
JI Bull. Seismol. Soc. Amer.
PD OCT
PY 2015
VL 105
IS 5
BP 2379
EP 2389
DI 10.1785/0120150022
PG 11
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA CS5MP
UT WOS:000362122600005
ER
PT J
AU Pitarka, A
Mellors, RJ
Walter, WR
Ezzedine, S
Vorobiev, O
Antoun, T
Wagoner, JL
Matzel, EM
Ford, SR
Rodgers, AJ
Glenn, L
Pasyanos, M
AF Pitarka, Arben
Mellors, Robert J.
Walter, William R.
Ezzedine, Souheil
Vorobiev, Oleg
Antoun, Tarabay
Wagoner, Jeffery L.
Matzel, Eric M.
Ford, Sean R.
Rodgers, Arthur J.
Glenn, Lewis
Pasyanos, Mike
TI Analysis of Ground Motion from An Underground Chemical Explosion
SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA
LA English
DT Article
ID 1997 KAZAKSTAN DEPTH; NEVADA TEST-SITE; S-WAVES; NUMERICAL SIMULATIONS;
BURIAL EXPERIMENT; NUCLEAR; DISCRIMINATION; PROPAGATION; GENERATION;
INSIGHTS
AB We investigate the excitation and propagation of far-field seismic waves from the 905 kg trinitrotoluene equivalent underground chemical explosion SPE-3 recorded during the Source Physics Experiment (SPE) at the Nevada National Security Site. The recorded far-field ground motion at short and long distances is characterized by substantial shear-wave energy, and large azimuthal variations in P-and S-wave amplitudes. The shear waves observed on the transverse component of sensors at epicentral distances <50 m suggests they were generated at or very near the source. The relative amplitude of the shear waves grows as the waves propagate away from the source. We analyze and model the shear-wave excitation during the explosion in the 0.01-10 Hz frequency range, at epicentral distances of up to 1 km. We used two simulation techniques. One is based on the empirical isotropic Mueller-Murphy (MM) (Mueller and Murphy, 1971) nuclear explosion source model, and 3D anelastic wave propagation modeling. The second uses a physics-based approach that couples hydrodynamic modeling of the chemical explosion source with anelastic wave propagation modeling. Comparisons with recorded data show the MM source model overestimates the SPE-3 far-field ground motion by an average factor of 4. The observations show that shear waves with substantial high-frequency energy were generated at the source. However, to match the observations additional shear waves from scattering, including surface topography, and heterogeneous shallow structure contributed to the amplification of far-field shear motion. Comparisons between empirically based isotropic and physics-based anisotropic source models suggest that both wave-scattering effects and near-field nonlinear effects are needed to explain the amplitude and irregular radiation pattern of shear motion observed during the SPE-3 explosion.
C1 [Pitarka, Arben; Mellors, Robert J.; Walter, William R.; Ezzedine, Souheil; Vorobiev, Oleg; Antoun, Tarabay; Wagoner, Jeffery L.; Matzel, Eric M.; Ford, Sean R.; Rodgers, Arthur J.; Glenn, Lewis; Pasyanos, Mike] Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Livermore, CA 95551 USA.
RP Pitarka, A (reprint author), Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, 7000 East Ave,POB 808 L-046, Livermore, CA 95551 USA.
EM pitarka1@llnl.gov
RI Pasyanos, Michael/C-3125-2013; Mellors, Robert/K-7479-2014; Walter,
William/C-2351-2013; Rodgers, Arthur/E-2443-2011; Ford,
Sean/F-9191-2011; pitarka, arben/K-5491-2014
OI Mellors, Robert/0000-0002-2723-5163; Walter,
William/0000-0002-0331-0616; Ford, Sean/0000-0002-0376-5792;
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
(LLNL) [DE-AC52-07NA27344]
FX We thank two anonymous reviewers for their helpful suggestions. The
simulations were performed on the CAB Linux cluster computer operated by
the Livermore Computing center. This work was performed under the
auspices of the U.S. Department of Energy by Lawrence Livermore National
Laboratory (LLNL) under Contract Number DE-AC52-07NA27344. This is LLNL
Contribution Number LLNL-ABS-667962.
NR 55
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U1 3
U2 7
PU SEISMOLOGICAL SOC AMER
PI ALBANY
PA 400 EVELYN AVE, SUITE 201, ALBANY, CA 94706-1375 USA
SN 0037-1106
EI 1943-3573
J9 B SEISMOL SOC AM
JI Bull. Seismol. Soc. Amer.
PD OCT
PY 2015
VL 105
IS 5
BP 2390
EP 2410
DI 10.1785/0120150066
PG 21
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA CS5MP
UT WOS:000362122600006
ER
PT J
AU Draelos, TJ
Ballard, S
Young, CJ
Brogan, R
AF Draelos, Timothy J.
Ballard, Sanford
Young, Christopher J.
Brogan, Ronald
TI A New Method for Producing Automated Seismic Bulletins: Probabilistic
Event Detection, Association, and Location
SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA
LA English
DT Article
ID TRAVEL-TIME; PHASE; EARTH
AB Given a set of observations within a specified time window, a fitness value is calculated at each grid node by summing station-specific conditional fitness values. Assuming each observation was generated by a refracted P wave, these values are proportional to the conditional probabilities that each observation was generated by a seismic event at the grid node. The node with highest fitness value is accepted as a hypothetical event location, subject to some minimal fitness value, and all arrivals within a longer time window consistent with that event are associated with it. During the association step, a variety of different phases are considered. Once associated with an event, an arrival is removed from further consideration. While unassociated arrivals remain, the search for other events is repeated until none are identified.
Results are presented in comparison with analyst-reviewed bulletins for three datasets: a two-week ground-truth period, the Tohoku aftershock sequence, and the entire year of 2010. The probabilistic event detection, association, and location algorithm missed fewer events and generated fewer false events on all datasets compared to the associator used at the International Data Center (51% fewer missed and 52% fewer false events on the ground-truth dataset when using the same predictions).
C1 [Draelos, Timothy J.; Ballard, Sanford; Young, Christopher J.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Brogan, Ronald] ENSCO Inc, Falls Church, VA 22042 USA.
RP Draelos, TJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
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 Number DE-AC04-94AL85000.
NR 15
TC 1
Z9 1
U1 2
U2 4
PU SEISMOLOGICAL SOC AMER
PI ALBANY
PA 400 EVELYN AVE, SUITE 201, ALBANY, CA 94706-1375 USA
SN 0037-1106
EI 1943-3573
J9 B SEISMOL SOC AM
JI Bull. Seismol. Soc. Amer.
PD OCT
PY 2015
VL 105
IS 5
BP 2453
EP 2467
DI 10.1785/0120150099
PG 15
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA CS5MP
UT WOS:000362122600010
ER
PT J
AU Croshaw, DA
Pechmann, JHK
AF Croshaw, D. A.
Pechmann, J. H. K.
TI Size does not matter for male Marbled Salamanders (Ambystoma opacum)
SO CANADIAN JOURNAL OF ZOOLOGY
LA English
DT Article
DE sexual selection; opportunity for selection; large-male advantage;
paternity; microsatellite; Marbled Salamander; Ambystoma opacum
ID EASTERN TIGER SALAMANDERS; DEPENDENT MATE CHOICE; MALE COLLARED LIZARDS;
MALE MATING SUCCESS; SEXUAL SELECTION; BODY-SIZE; REPRODUCTIVE SUCCESS;
EXPERIMENTAL REMOVAL; BATEMANS PRINCIPLES; TRITURUS-ALPESTRIS
AB Understanding the phenotypic attributes that contribute to variance in mating and reproductive success is crucial in the study of evolution by sexual selection. In many animals, body size is an important trait because larger individuals enjoy greater fitness due to the ability to secure more mates and produce more offspring. Among males, this outcome is largely mediated by greater success in competition with rival males and (or) advantages in attractiveness to females. Here we tested the hypothesis that large male Marbled Salamanders (Ambystoma opacum (Gravenhorst, 1807)) mate with more females and produce more offspring than small males. In experimental breeding groups, we included males chosen specifically to represent a range of sizes. After gravid females mated and nested freely, we collected egg clutches and genotyped all adults and samples of hatchlings with highly variable microsatellite markers to assign paternity. Size had little effect on male mating and reproductive success. Breeding males were not bigger than nonbreeding males, mates of polyandrous females were not smaller than those of monogamous females, and there was no evidence for positive assortative mating by size. Although body size did not matter for male Marbled Salamanders, we documented considerable fitness variation and discuss alternative traits that could be undergoing sexual selection.
C1 [Croshaw, D. A.] Florida Gulf Coast Univ, Dept Biol Sci, Ft Myers, FL 33965 USA.
[Croshaw, D. A.] Savannah River Ecol Lab, Aiken, SC 29802 USA.
[Pechmann, J. H. K.] Western Carolina Univ, Dept Biol Sci, Cullowhee, NC 28723 USA.
RP Croshaw, DA (reprint author), Florida Gulf Coast Univ, Dept Biol Sci, Ft Myers, FL 33965 USA.
EM dcroshaw@fgcu.edu
FU U.S. Department of Energy [DE-FC09-96SR18546]; Board of Regents Superior
Graduate Fellowship from University of New Orleans; National Institutes
of Health (NIH) [1K12 GM000708]
FX The manuscript benefitted greatly from comments by two anonymous
reviewers. We thank D. Scott for use of cattle tanks, drift fences, and
salamanders. K. Komoroski allowed additional drift fence use. Thanks go
to T. Glenn and the rest of the Savannah River Ecology Laboratory DNA
lab for equipment, materials, support, and advice. Experimental
procedures were approved by a permit from the Institutional Care and Use
Committee of the University of Georgia (number A2003-10024-C2, "Reptile
and amphibian research-general field studies"). D.A.C. was partially
supported by a Board of Regents Superior Graduate Fellowship from the
University of New Orleans and National Institutes of Health (NIH)
Training Grant No. 1K12 GM000708 to the Center for Insect Science,
University of Arizona. Funding was provided by award DE-FC09-96SR18546
from the U.S. Department of Energy to the University of Georgia Research
Foundation.
NR 70
TC 0
Z9 0
U1 6
U2 29
PU CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS
PI OTTAWA
PA 65 AURIGA DR, SUITE 203, OTTAWA, ON K2E 7W6, CANADA
SN 0008-4301
EI 1480-3283
J9 CAN J ZOOL
JI Can. J. Zool.
PD OCT
PY 2015
VL 93
IS 10
BP 735
EP 740
DI 10.1139/cjz-2014-0229
PG 6
WC Zoology
SC Zoology
GA CS6HV
UT WOS:000362180300002
ER
PT J
AU Bell, NS
Dunphy, DR
Lambert, TN
Lu, P
Boyle, TJ
AF Bell, Nelson S.
Dunphy, Darren R.
Lambert, Timothy N.
Lu, Ping
Boyle, Timothy J.
TI In situ characterization of silver nanoparticle synthesis in
maltodextrin supramolecular structures
SO COLLOIDS AND SURFACES B-BIOINTERFACES
LA English
DT Article
DE Silver; Nanoparticles; Maltodextrin; Synthesis; In situ
ID GREEN SYNTHESIS; MOLECULAR CHARACTERISTICS; HOMOGENEOUS SOLUTIONS; METAL
NANOPARTICLES; SOLUBLE STARCH; EQUAL CIRCLES; PARTICLES; MECHANISMS;
GROWTH; SIZE
AB The use of maltodextrin supramolecular structures (MD SMS) as a reducing agent and colloidal stabilizing agent for the synthesis of Ag nanoparticles (Ag NPs) identified three key points. First, the maltodextrin (MD) solutions are effective in the formation of well-dispersed Ag NPs utilizing alkaline solution conditions, with the resulting AgNPs ranging in size from 5 to 50 nm diameter. Second, in situ characterization by Raman spectroscopy and small angle X-ray scattering (SAXS) are consistent with initial nucleation of Ag NPs within the MD SMS up to a critical size of ca. 1 nm, followed by a transition to more rapid growth by aggregation and fusion between MD SMS, similar to micelle aggregation reactions. Third, the stabilization of larger Ag NPs by adsorbed MD SMS is similar to hemi-micelle stabilization, and monomodal size distributions are proposed to relate to integer surface coverage of the Ag NPs. Conditions were identified for preparing Ag NPs with monomodal distributions centered at 30-35 nm Ag NPs. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Bell, Nelson S.; Lambert, Timothy N.; Lu, Ping; Boyle, Timothy J.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Dunphy, Darren R.] Univ New Mexico, Ctr Microengineered Mat, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA.
RP Bell, NS (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM nsbell@sandia.gov
FU Sandia National Laboratories by the Readiness in Technical Base and
Facilities (RTBF) program; Sandia National Laboratories by LDRD program;
U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX This work was funded by Sandia National Laboratories by the Readiness in
Technical Base and Facilities (RTBF) and the LDRD programs. Sandia
National Laboratories is a multi-program 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 53
TC 0
Z9 0
U1 4
U2 26
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 OCT 1
PY 2015
VL 134
BP 98
EP 104
DI 10.1016/j.colsurfb.2015.06.030
PG 7
WC Biophysics; Chemistry, Physical; Materials Science, Biomaterials
SC Biophysics; Chemistry; Materials Science
GA CS5TU
UT WOS:000362142000013
PM 26162978
ER
PT J
AU Barlow, RS
Meares, S
Magnotti, G
Cutcher, H
Masri, AR
AF Barlow, R. S.
Meares, S.
Magnotti, G.
Cutcher, H.
Masri, A. R.
TI Local extinction and near-field structure in piloted turbulent CH4/air
jet flames with inhomogeneous inlets
SO COMBUSTION AND FLAME
LA English
DT Article
DE Turbulent flames; Multimode combustion; Partially-premixed flames; Local
extinction
ID SCALAR DISSIPATION RATES; PARTIALLY PREMIXED COMBUSTION; LARGE-EDDY
SIMULATION; DILUTE-SPRAY FLAMES; METHANE/AIR FLAMES; NUMERICAL-ANALYSIS;
DIFFUSION FLAMES; SWIRLING FLOWS; LENGTH SCALES; LIFTED FLAME
AB Line-imaged measurements of temperature and major species, based on well-established Raman/Rayleigh/CO-LIF techniques, are used to better understand the scalar structure of piloted CH4/air jet flames with inhomogeneous inlets. Recent studies using a variant of the Sydney piloted burner have demonstrated that the blowoff velocity of a partially-premixed jet flame of CNG or CH4 and air can be increased significantly by tailoring the mixture fraction profile at the burner exit. This is done by adding a small, retractable central tube within the main tube of the burner and separately supplying fuel and air for partial premixing. Both tubes are located within the pilot annulus. When the central tube is retracted far upstream of the burner exit, the flame has the same stability as that of the original burner with homogeneous fuel-air composition at the jet exit. However, when the inner tube supplies fuel and is retracted an optimal distance (10-13 times the main tube diameter) the blowoff velocity is increased by nearly 40%. Previous results indicated that combustion very close to the burner exit occurs in a stratified-premixed mode, augmenting the stabilizing effect of the pilot. This is followed by transition to a diffusion-dominated mode of burning within the first ten main tube diameters.
The present paper provides a detailed examination of a series of piloted CH4/air jet flames with different inlet conditions and with a pilot flame that matches the composition and adiabatic flame temperature of CH4/air. It addresses trends in local extinction as well as differences in near-field flame structure. The evolution in the local mode of combustion is traced using instantaneous line-imaged realizations where the change in mixture fraction across a 1000 K interval is used as a conditioning variable. Doubly conditioned means of selected species mass fractions confirm that the flames with inhomogeneous inlet profiles undergo transition from a stratified-premixed mode of combustion to a diffusion-dominated mode of combustion within the first ten jet diameters. Calculations of strained laminar partially-premixed flames are used to gain insight on the effects of strain rate and fuel-side equivalence ratio on flame structure and the rate of heat release. These turbulent jet flames may serve as interesting test cases for models aimed at predicting the performance of practical burners that operate with mixed combustion modes. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
C1 [Barlow, R. S.; Magnotti, G.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA.
[Meares, S.; Cutcher, H.; Masri, A. R.] Univ Sydney, Sch Aerosp Mech & Mechatron Engn, Sydney, NSW 2006, Australia.
RP Masri, AR (reprint author), Univ Sydney, Sch Aerosp Mech & Mechatron Engn, Sydney, NSW 2006, Australia.
EM barlow@sandia.gov; assaad.masri@sydney.edu.au
OI Barlow, Robert/0000-0003-1180-3952
FU Australian Research Council; Division of Chemical Sciences, Geosciences
and Biosciences, Office of Basic Energy Sciences, US Department of
Energy; United States Department of Energy [DE-AC04-94-AL85000]
FX Work at the University of Sydney was supported by the Australian
Research Council. Work at Sandia was supported by the Division of
Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy
Sciences, US Department of Energy. Sandia National Laboratories is a
multiprogram laboratory operated by Sandia Corporation, a Lockheed
Martin Company, for the United States Department of Energy under
contract DE-AC04-94-AL85000. Contributions by Bob Harmon in support of
these experiments are gratefully acknowledged.
NR 56
TC 9
Z9 9
U1 2
U2 13
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 OCT
PY 2015
VL 162
IS 10
BP 3516
EP 3540
DI 10.1016/j.combustflame.2015.06.009
PG 25
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical; Engineering, Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA CS2TT
UT WOS:000361925600006
ER
PT J
AU Ji, WQ
Zhang, P
He, TJ
Wang, Z
Tao, L
He, X
Law, CK
AF Ji, Weiqi
Zhang, Peng
He, Tanjin
Wang, Zhi
Tao, Ling
He, Xin
Law, Chung K.
TI Intermediate species measurement during iso-butanol auto-ignition
SO COMBUSTION AND FLAME
LA English
DT Article
DE Iso-butanol; Rapid compression machine; Fast sampling; Ignition delay;
Low temperature mechanism
ID SHOCK-TUBE MEASUREMENTS; DELAY TIMES; COMBUSTION CHEMISTRY; FLAME
PROPAGATION; N-BUTANOL; ISOMERS; ISOOCTANE; PYROLYSIS; OXIDATION;
ISOBUTANOL
AB This work presents the time histories of intermediate species during the auto-ignition of iso-butanol at high pressure and intermediate temperature conditions obtained using a rapid compression machine and recently developed fast sampling system. Iso-butanol ignition delays were acquired for iso-butanol/O-2 mixture with an inert/O-2 ratio of 7.26, equivalence ratio of 0.4, in the temperature range of 840-950 K and at pressure of 25 bar. Fast sampling and gas chromatography were used to acquire and quantify the intermediate species during the ignition delay of the same mixture at P = 25.3 bar and T = 905 K. The ignition delay times and quantitative measurements of the mole fraction time histories of methane, ethene, propene, iso-butene, isobutyraldehyde, iso-butanol, and carbon monoxide were compared with predictions from the detailed mechanisms developed by Sarathy et al., Merchant et al., and Cai et al. It is shown that while the Sarathy mechanism well predicts the overall ignition delay time, it overpredicts ethene by a factor of 6-10, underpredicts isobutene by a factor of 2, and overpredicts iso-butyraldehyde by a factor of 2.
Reaction path and sensitivity analyses were carried out to identify the reactions responsible for the observed inadequacy. The rates of iso-butanol hydrogen atom abstraction by OH radical and the beta-scission reactions of hydroxybutyl radicals were updated based on recently published quantum calculation results. Significant improvements were achieved in predicting ignition delay at high pressures (25 and 30 bar) and the species concentrations of ethene and iso-butene. However, the updated mechanism still overpredicts iso-butyraldehyde concentrations. Also, the updated mechanism degrades the prediction in ignition delay at lower pressure (15 bar) compared to the original mechanism developed by Sarathy et al. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
C1 [Ji, Weiqi; Zhang, Peng; He, Xin; Law, Chung K.] Tsinghua Univ, Ctr Combust Energy, Beijing 100084, Peoples R China.
[He, Tanjin; Wang, Zhi; He, Xin] Tsinghua Univ, State Key Lab Automot Safety & Energy, Beijing 100084, Peoples R China.
[Tao, Ling] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Law, Chung K.] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA.
RP He, X (reprint author), Tsinghua Univ, Ctr Combust Energy, Room 112, Beijing 100084, Peoples R China.
EM hexin1976@tsinghua.edu.cn
FU National Natural Science Foundation of China [51476086]; State Key
Laboratory of Automotive Safety and Energy
FX The authors would like to acknowledge the valuable suggestions from Dr.
S.M. Sarathy at KAUST in optimizing the mechanism. This work was
supported by the National Natural Science Foundation of China (Grant no.
51476086) and the State Key Laboratory of Automotive Safety and Energy.
NR 29
TC 1
Z9 1
U1 13
U2 31
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 OCT
PY 2015
VL 162
IS 10
BP 3541
EP 3553
DI 10.1016/j.combustflame.2015.06.010
PG 13
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical; Engineering, Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA CS2TT
UT WOS:000361925600007
ER
PT J
AU Minamoto, Y
Kolla, H
Grout, RW
Gruber, A
Chen, JH
AF Minamoto, Yuki
Kolla, Hemanth
Grout, Ray W.
Gruber, Andrea
Chen, Jacqueline H.
TI Effect of fuel composition and differential diffusion on flame
stabilization in reacting syngas jets in turbulent cross-flow
SO COMBUSTION AND FLAME
LA English
DT Article
DE Flame stabilization; Transverse jet; Syngas combustion; Direct numerical
simulation
ID DIRECT NUMERICAL-SIMULATION; RAMAN-SCATTERING MEASUREMENTS; HYDROGEN
JET; MOLECULAR-DIFFUSION; BOUNDARY-CONDITIONS; CHANNEL FLOW; FLASHBACK;
AIR; MECHANISMS; SCALAR
AB Three-dimensional direct numerical simulation results of a transverse syngas fuel jet in turbulent cross-flow of air are analyzed to study the influence of varying volume fractions of CO relative to H-2 in the fuel composition on the near field flame stabilization. The mean flame stabilizes at a similar location for CO-lean and CO-rich cases despite the trend suggested by their laminar flame speed, which is higher for the CO-lean condition. To identify local mixtures having favorable mixture conditions for flame stabilization, explosive zones are defined using a chemical explosive mode timescale. The explosive zones related to flame stabilization are located in relatively low velocity regions. The explosive zones are characterized by excess hydrogen transported solely by differential diffusion, in the absence of intense turbulent mixing or scalar dissipation rate. The conditional averages show that differential diffusion is negatively correlated with turbulent mixing. Moreover, the local turbulent Reynolds number is insufficient to estimate the magnitude of the differential diffusion effect. Alternatively, the Karlovitz number provides a better indicator of the importance of differential diffusion. A comparison of the variations of differential diffusion, turbulent mixing, heat release rate and probability of encountering explosive zones demonstrates that differential diffusion predominantly plays an important role for mixture preparation and initiation of chemical reactions, closely followed by intense chemical reactions sustained by sufficient downstream turbulent mixing. The mechanism by which differential diffusion contributes to mixture preparation is investigated using the Takeno Flame Index. The mean Flame Index, based on the combined fuel species, shows that the overall extent of premixing is not intense in the upstream regions. However, the Flame Index computed based on individual contribution of H-2 or CO species reveals that hydrogen contributes significantly to premixing, particularly in explosive zones in the upstream leeward region, i.e. at the preferred flame stabilization location. Therefore, a small amount of H-2 diffuses much faster than CO, creating relatively homogeneous mixture pockets depending on the competition with turbulent mixing. These pockets, together with high H-2 reactivity, contribute to stabilizing the flame at a consistent location regardless of the CO concentration in the fuel for the present range of DNS conditions. Published by Elsevier Inc. on behalf of The Combustion Institute.
C1 [Minamoto, Yuki; Kolla, Hemanth; Chen, Jacqueline H.] Sandia Natl Labs, Livermore, CA 94550 USA.
[Grout, Ray W.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Gruber, Andrea] SINTEF Energy Res, N-7465 Trondheim, Norway.
RP Minamoto, Y (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA.
EM yminamot@gmail.com
OI Minamoto, Yuki/0000-0002-6157-8370
FU office of Science of the US Department of Energy [DE-AC05-00OR22725];
Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231];
United States Department of Energy [DE-AC04-94AL85000]; Division of
Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy
Sciences of the US Department of Energy; Research Council of Norway
[215707]; BIGCCS Centre under the Norwegian research program Centres for
Environment-friendly Energy Research (FME)
FX This research used computational resources of the Oak Ridge Leadership
Computing Facility (OLCF) at Oak Ridge National Laboratory, and National
Energy Research Scientific Computing Center (NERSC). OLCF is supported
by the office of Science of the US Department of Energy under contract
DE-AC05-00OR22725. NERSC is supported by the Office of Science of the
U.S. Department of Energy under contract DE-AC02-05CH11231. Sandia is a
multiprogram laboratory operated by Sandia Corporation, a Lockheed
Martin Company, for the United States Department of Energy under
contract DE-AC04-94AL85000. The work at Sandia National Laboratories was
supported by the Division of Chemical Sciences, Geosciences and
Biosciences, Office of Basic Energy Sciences of the US Department of
Energy. The work at SINTEF has been produced with support by project
215707 (CAMPS) of the Research Council of Norway and by the BIGCCS
Centre, performed under the Norwegian research program Centres for
Environment-friendly Energy Research (FME). The authors acknowledge the
following partners for their contributions: Gassco, Shell, Statoil,
TOTAL, GDF SUEZ and the Research Council of Norway (193816/S60).
NR 35
TC 2
Z9 2
U1 5
U2 17
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 OCT
PY 2015
VL 162
IS 10
BP 3569
EP 3579
DI 10.1016/j.combustflame.2015.06.013
PG 11
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical; Engineering, Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA CS2TT
UT WOS:000361925600010
ER
PT J
AU Dahms, RN
Oefelein, JC
AF Dahms, Rainer N.
Oefelein, Joseph C.
TI Liquid jet breakup regimes at supercritical pressures
SO COMBUSTION AND FLAME
LA English
DT Article
DE Supercritical; Multiphase; Liquid; Injection; Real-fluid; Breakup
regimes
ID LARGE-EDDY SIMULATION; UNDERSTANDING IGNITION PROCESSES; FLAME FRONT
PROPAGATION; LINEAR GRADIENT THEORY; SURFACE-TENSION; BINARY-MIXTURES;
INTERFACIAL PROPERTIES; CORRESPONDING STATES; FLUID INTERFACES; MIXING
PROCESSES
AB Previously, a theory has been presented that explains how discrete vapor-liquid interfaces become diminished at certain high-pressure conditions in a manner that leads to well known qualitative trends observed from imaging in a variety of experiments. Rather than surface tension forces, transport processes can dominate over relevant ranges of conditions. In this paper, this framework is now generalized to treat a wide range of fuel-oxidizer combinations in a manner consistent with theories of capillary flows and extended corresponding states theory. Different flow conditions and species-specific molecular properties are shown to produce distinct variations of interfacial structures and local free molecular paths. These variations are shown to occur over the operating ranges in a variety of propulsion and power systems. Despite these variations, the generalized analysis reveals that the envelope of flow conditions at which the transition from classical sprays to diffusion-dominated mixing occurs exhibits a characteristic shape for all liquid-gas combinations. For alkane-oxidizer mixtures, it explains that these conditions shift to higher pressure flow conditions with increasing carbon number and demonstrates that, instead of widely assumed classical spray atomization, diffusion-dominated mixing may occur under relevant high-pressure conditions in many modern devices. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
C1 [Dahms, Rainer N.; Oefelein, Joseph C.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
RP Dahms, RN (reprint author), Sandia Natl Labs, Combust Res Facil, POB 969,MS 9051, Livermore, CA 94551 USA.
EM Rndahms@sandia.gov
FU Division of Chemical Sciences, Geosciences and Biosciences, Office of
Basic Energy Sciences, U.S. Department of Energy; U.S. Department of
Energy [DE-AC04-94-AL85000]
FX This research was funded by the Division of Chemical Sciences,
Geosciences and Biosciences, Office of Basic Energy Sciences, U.S.
Department of Energy. Sandia National Laboratories is a multiprogram
laboratory operated by Sandia Corporation, a Lockheed Martin Company,
for the U.S. Department of Energy under contract DE-AC04-94-AL85000.
This research was performed at the Combustion Research Facility, Sandia
National Laboratories, Livermore, California.
NR 78
TC 3
Z9 3
U1 5
U2 24
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 OCT
PY 2015
VL 162
IS 10
BP 3648
EP 3657
DI 10.1016/j.combustflame.2015.07.004
PG 10
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical; Engineering, Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA CS2TT
UT WOS:000361925600017
ER
PT J
AU Merchant, SS
Goldsmith, CF
Vandeputte, AG
Burke, MP
Klippenstein, SJ
Green, WH
AF Merchant, Shamel S.
Goldsmith, C. Franklin
Vandeputte, Aaeron G.
Burke, Michael P.
Klippenstein, Stephen J.
Green, William H.
TI Understanding low-temperature first-stage ignition delay: Propane
SO COMBUSTION AND FLAME
LA English
DT Article
DE Propane; Low temperature combustion; Peroxy chemistry; First-stage
ignition delay
ID PHENOMENOLOGICAL RATE COEFFICIENTS; NORMAL-HEXADECANE AUTOXIDATION;
PRACTICAL COMBUSTION SYSTEMS; COMPREHENSIVE KINETIC-MODEL; LIQUID-PHASE
AUTOXIDATION; RAPID COMPRESSION MACHINE; PRESSURE RATE RULES;
ELEVATED-TEMPERATURES; DIMETHYL ETHER; SHOCK-TUBE
AB The low-temperature auto-ignition of fuels is a complex process, occurring in multiple stages with distinct chemical processes governing each stage. The conversion from alkyl radical to chain branching products, which occurs through successive O-2 additions followed by thermal decomposition of the products, is at the core of the auto-ignition process. Our detailed understanding of this central process continues to evolve, with recent theoretical kinetics studies providing a particularly comprehensive description of the radical oxidation process for propane. In this study, we employ this improved description in a detailed numerical and analytical exploration of the first-stage ignition delay for low-temperature auto-ignition of propane, which may be considered as a prototype for larger alkane fuels. The traditional first-stage of ignition can be divided into two stages (stage-1A and stage-1B). During stage-1A, the concentration of radicals grows exponentially, and both OH and HO2 are important in the consumption of the fuel and generation of alkyl radicals. Stage-1A ends when the concentration of HO2 is sufficiently high that the chain-terminating bimolecular reaction HO2 + HO2 becomes competitive with other HO2 reactions including HO2 + fuel, thus slowing the HO2 concentration rise such that it is no longer a key contributor to fuel consumption. During stage-1B, increasing temperature and growing side reactions with secondary chemistry reduce the positive feedback and the concentrations of ketohydroperoxide species stop growing exponentially. The end of this stage is associated with the maximum in ketohydroperoxide, after which it is depleted. We present simple analytical approximations for the time it takes to complete these two sub-stages. These expressions clarify which rate constants control first-stage ignition, and they quantify how the ignition is influenced by mixture composition, temperature and pressure. The analysis is also extended to longer alkane fuels and is shown to provide fairly reliable predictions of the first-stage ignition delay. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
C1 [Merchant, Shamel S.; Vandeputte, Aaeron G.; Green, William H.] MIT, Dept Chem Engn, Cambridge, MA 02139 USA.
[Goldsmith, C. Franklin; Burke, Michael P.; Klippenstein, Stephen J.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Goldsmith, C. Franklin] Brown Univ, Sch Engn, Providence, RI 02912 USA.
[Burke, Michael P.] Columbia Univ, Dept Chem Engn, Dept Mech Engn, New York, NY 10027 USA.
[Burke, Michael P.] Columbia Univ, Data Sci Inst, New York, NY 10027 USA.
RP Green, WH (reprint author), MIT, Dept Chem Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
EM whgreen@mit.edu
OI Klippenstein, Stephen/0000-0001-6297-9187; Green,
William/0000-0003-2603-9694
FU Division of Chemical Sciences, Geosciences, and Biosciences, the Office
of Basic Energy Science (BES) of the U.S. Department of Energy; Energy
Frontier Research Center for Combustion Science [DE-SC0001198,
DEAC02-06CH11357]; Argonne-Sandia Consortium on High-Pressure Combustion
Chemistry [DEAC02-06CH11357]; Argonne Director's Fellowship; FWP [59044]
FX This work is supported by the Division of Chemical Sciences,
Geosciences, and Biosciences, the Office of Basic Energy Science (BES)
of the U.S. Department of Energy. The portion at MIT was supported
through the Energy Frontier Research Center for Combustion Science
through Grant DE-SC0001198, while the portion at ANL was supported under
contract DEAC02-06CH11357 through both the Energy Frontier Research
Center for Combustion Science (SJK) and through the Argonne-Sandia
Consortium on High-Pressure Combustion Chemistry; FWP# 59044 (CFG and
MPB). CFG and MPB also gratefully acknowledge support from the Argonne
Director's Fellowship.
NR 74
TC 21
Z9 21
U1 11
U2 47
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 OCT
PY 2015
VL 162
IS 10
BP 3658
EP 3673
DI 10.1016/j.combustflame.2015.07.005
PG 16
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical; Engineering, Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA CS2TT
UT WOS:000361925600018
ER
PT J
AU Kamal, MM
Barlow, RS
Hochgreb, S
AF Kamal, M. Mustafa
Barlow, Robert S.
Hochgreb, Simone
TI Conditional analysis of turbulent premixed and stratified flames on
local equivalence ratio and progress of reaction
SO COMBUSTION AND FLAME
LA English
DT Article
DE Turbulent combustion; Lean stratified combustion; Laser diagnostics;
Bluff-body stabilized flame; Surface density function; Scalar
dissipation rate
ID BLUFF-BODY BURNER; METHANE/AIR FLAMES; NUMERICAL-ANALYSIS; PREFERENTIAL
TRANSPORT; DIFFERENTIAL DIFFUSION; NONPREMIXED FLAMES; MOMENT CLOSURE;
AIR COMBUSTION; SWIRLING FLOWS; SCALE CLOSURE
AB Previous studies on the Cambridge/Sandia stratified burner have produced a comprehensive database of line Rayleigh/Raman/CO LIF measurements of scalars, as well as LDA and PIV measurements of velocity, for flames under non-uniform mixture fraction, under moderate turbulent conditions where the ratio of the turbulent velocity fluctuations to the laminar flame speed is of order 10. In prior work, we applied multiple conditioning methods to demonstrate how local stratification increases the levels of CO and H-2, relative to the corresponding turbulent premixed flame, and enhances surface density function (SDF) and scalar dissipation rate of progress of reaction (SDR), based on extent of temperature rise, at a particular location in the flame where the mixing layer and flame brush cross. In the present study, we examine the global features of selected flames at all locations, by obtaining probability density functions (PDFs) for species concentrations, SDRs, and SDFs, conditioned on local equivalence ratio and location in the flame brush throughout the domain.
We find that for most cases, species profiles as a function of temperature are well represented by laminar flame relationships at the local equivalence ratio, with some deviations attributable to either differential diffusion near the flame base and local stratification effects further downstream where the flame brush crosses the mixing layer. In particular, CO2 is significantly affected by differential diffusion, and CO and H2 by stratification. However, the stratification effects on the species are relatively minor when conditioned on local equivalence ratio, a simplifying result in the context of modeling.
Measurements of the gradient of progress of reaction and scalar dissipation rates, conditioned on local equivalence ratio, show that the thermal zone of the flame is thickened by turbulence: the mean SDF and SDR values are in general lower than those of unstrained laminar flames. The effect is greater under rich conditions, with conditional mean SDR decreasing to less than half of the corresponding laminar value. The extent of flame thickening is the same in the premixed as the stratified case, once the stratified measurements are conditioned on the same equivalence ratio. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
C1 [Kamal, M. Mustafa; Hochgreb, Simone] Univ Cambridge, Dept Engn, Cambridge CB2 1PZ, England.
[Barlow, Robert S.] Sandia Natl Labs, Livermore, CA 94550 USA.
RP Kamal, MM (reprint author), Univ Cambridge, Dept Engn, Cambridge CB2 1PZ, England.
EM mmk44@cam.ac.uk
OI Kamal, M. Mustafa/0000-0002-4423-6790
FU University of Engineering and Technology Peshawar (Pakistan); United
States Department of Energy, Office of Basic Energy Sciences, Division
of Chemical Sciences, Geosciences and Biosciences; United States
Department of Energy [DE-AC04-94-AL85000]
FX M. Mustafa Kamal acknowledges funding from University of Engineering and
Technology Peshawar (Pakistan). The measurements at Sandia National Labs
were sponsored by the United States Department of Energy, Office of
Basic Energy Sciences, Division of Chemical Sciences, Geosciences and
Biosciences. Sandia National Laboratories is a multiprogram laboratory
operated by Sandia Corporation, a Lockheed Martin Company, for the
United States Department of Energy under contract DE-AC04-94-AL85000.
The authors also thank Dr. Akihiro Hayakawa for his contributions to the
laminar flame calculations and Dr. Saravanan Balusamy for his valuable
suggestions regarding data processing.
NR 61
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Z9 2
U1 3
U2 12
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 0010-2180
EI 1556-2921
J9 COMBUST FLAME
JI Combust. Flame
PD OCT
PY 2015
VL 162
IS 10
BP 3896
EP 3913
DI 10.1016/j.combustflame.2015.07.026
PG 18
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical; Engineering, Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA CS2TT
UT WOS:000361925600037
ER
PT J
AU Yang, Y
Dec, JE
Sjoberg, M
Ji, CS
AF Yang, Yi
Dec, John E.
Sjoeberg, Magnus
Ji, Chunsheng
TI Understanding fuel anti-knock performances in modern SI engines using
fundamental HCCI experiments
SO COMBUSTION AND FLAME
LA English
DT Article
DE Knock propensity; HCCI; Turbocharging; DISI; Ethanol
ID OXIDATION
AB Modern spark-ignition (SI) engine technologies have considerably changed in-cylinder conditions under which fuel autoignition and engine knock take place. In this paper, fundamental HCCI engine experiments are proposed as a means for characterizing the impact of these technologies on the knock propensity of different fuels. In particular, the impacts of turbocharging, direct injection (DI), and downspeeding on operation with ethanol and gasoline are investigated to demonstrate this approach. Results reported earlier for ethanol and gasoline on HCCI combustion are revisited with the new perspective of how their autoignition characteristics fit into the anti-knock requirement in modern SI engines. For example, the weak sensitivity to pressure boost demonstrated by ethanol in HCCI autoignition can be used to explain the strong knock resistance of ethanol fuels for turbocharged SI engines. Further, ethanol's high sensitivity to charge temperature makes charge cooling, which can be produced by fuel vaporization via direct injection or by piston expansion via spark-timing retard, very effective for inhibiting knock. On the other hand, gasoline autoignition shows a higher sensitivity to pressure, so only very low pressure boost can be applied before knock occurs. Gasoline also demonstrates low temperature sensitivity, so it is unable to make as effective use of the charge cooling produced by fuel vaporization or spark retard. These arguments comprehensively explain literature results on ethanol's substantially better anti-knock performance over gasoline in modern turbocharged DISI engines. Fundamental HCCI experiments such as these can thus be used as a diagnostic and predictive tool for knocklimited SI engine performance for various fuels. Examples are presented where HCCI experiments are used to identify biofuel compounds with good potential for modern SI-engine applications. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
C1 [Yang, Yi] Univ Melbourne, Dept Mech Engn, Parkville, Vic 3010, Australia.
[Yang, Yi; Dec, John E.; Sjoeberg, Magnus; Ji, Chunsheng] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
RP Yang, Y (reprint author), Univ Melbourne, Dept Mech Engn, Parkville, Vic 3010, Australia.
EM yi.yang@unimelb.edu.au
FU U.S. Department of Energy, Office of Vehicle Technologies; U.S.
Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; University of Melbourne
FX This work was performed at the Combustion Research Facility, Sandia
National Laboratories, Livermore, CA. Support was provided by the U.S.
Department of Energy, Office of Vehicle Technologies. 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. Yi Yang also
thanks the Early Career Research Grant from the University of Melbourne
for supporting the writing of this paper.
NR 25
TC 4
Z9 4
U1 3
U2 19
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 0010-2180
EI 1556-2921
J9 COMBUST FLAME
JI Combust. Flame
PD OCT
PY 2015
VL 162
IS 10
BP 4008
EP 4015
DI 10.1016/j.combustflame.2015.07.040
PG 8
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical; Engineering, Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA CS2TT
UT WOS:000361925600046
ER
PT J
AU Bornstein, M
Carter, M
Gavin, L
Moskosky, S
AF Bornstein, M.
Carter, M.
Gavin, L.
Moskosky, S.
TI Implementation of new clinical guidelines on quality family planning
services: baseline data from publicly funded clinics
SO CONTRACEPTION
LA English
DT Meeting Abstract
C1 [Bornstein, M.] Oak Ridge Inst Sci & Educ, Atlanta, GA USA.
NR 0
TC 1
Z9 1
U1 1
U2 2
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 0010-7824
EI 1879-0518
J9 CONTRACEPTION
JI Contraception
PD OCT
PY 2015
VL 92
IS 4
MA P109
BP 394
EP 394
DI 10.1016/j.contraception.2015.06.159
PG 1
WC Obstetrics & Gynecology
SC Obstetrics & Gynecology
GA CS4PC
UT WOS:000362057000145
ER
PT J
AU Zheng, GQ
Kelleher, B
He, LF
Cao, GP
Anderson, M
Allen, T
Sridharan, K
AF Zheng, Guiqiu
Kelleher, Brian
He, Lingfeng
Cao, Guoping
Anderson, Mark
Allen, Todd
Sridharan, Kumar
TI High-Temperature Corrosion of UNS N10003 in Molten Li2BeF4 (FLiBe) Salt
SO CORROSION
LA English
DT Article
DE corrosion; FLiBe; Hastelloy N; molten salt; nuclear reactor; UNS N10003
ID MATERIALS CHALLENGES; REACTOR; SYSTEMS; CHROMIUM; ALLOYS;
MICROSTRUCTURE; DEPOSITION; DIFFUSION; COATINGS; HYDROGEN
AB Corrosion testing of UNS N10003 in molten fluoride salt was performed in purified molten 2(7)LiF-BeF2 (66-34 mol%) (FLiBe) salt at 700 degrees C for 1,000 h, in pure nickel and graphite capsules. In the nickel capsule tests, the near-surface region of the alloy exhibited an approximately 200 nm porous structure, an approximately 3.5 mu m chromium-depleted region, and MoSi2 precipitates. In the tests performed in graphite capsules, the alloy samples gained weight because of the formation of a variety of Cr3C2, Cr7C3, Mo2C, and Cr23C6 carbide phases on the surface and in the subsurface regions of the alloy. A Cr-depleted region was observed in the near-surface region where Mo thermally diffused toward either the surface or the grain boundary, which induced an approximately 1.4 mu m Ni3Fe alloy layer in this region. The carbide-containing layer extended to approximately 7 mu m underneath the Ni3Fe layer. The presence of graphite dramatically changes the mechanisms of corrosion attack in UNS N10003 in molten FLiBe salt. In terms of the depth of attack, graphite clearly accelerates the corrosion, but the results appear to indicate that the formation of the Cr23C6 phase might stabilize the Cr and mitigate its dissolution in molten FLiBe salt. Moreover, a thermal diffusion controlled corrosion model that was fundamentally derived from Fick's second law was applied to predict the corrosion attack depth of 17.2 mu m/y for UNS N10003 in molten FLiBe in the pure nickel capsule at 700 degrees C.
C1 [Zheng, Guiqiu; Kelleher, Brian; Cao, Guoping; Anderson, Mark; Sridharan, Kumar] Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA.
[He, Lingfeng; Allen, Todd] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Sridharan, K (reprint author), Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA.
EM kumar.sridharan@wisc.edu
OI Allen, Todd/0000-0002-2372-7259; He, Lingfeng/0000-0003-2763-1462
FU DOE NEUP [DE-AC07-05ID14517]
FX The authors would like to thank Dr. M. Toth, formerly of ORNL, for
valuable suggestions on FLiBe purification, and ORNL for providing
high-purity enriched FLiBe. This work was funded by DOE NEUP grant of
DE-AC07-05ID14517.
NR 41
TC 2
Z9 2
U1 6
U2 26
PU NATL ASSOC CORROSION ENG
PI HOUSTON
PA 1440 SOUTH CREEK DRIVE, HOUSTON, TX 77084-4906 USA
SN 0010-9312
EI 1938-159X
J9 CORROSION-US
JI Corrosion
PD OCT
PY 2015
VL 71
IS 10
BP 1257
EP 1266
DI 10.5006/1657
PG 10
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CS5MX
UT WOS:000362123400009
ER
PT J
AU Mara, NA
Beyerlein, IJ
AF Mara, Nathan A.
Beyerlein, Irene J.
TI Interface-dominant multilayers fabricated by severe plastic deformation:
Stability under extreme conditions
SO CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE
LA English
DT Review
DE Nanocomposite; Mechanical behavior; Radiation damage tolerance; Elevated
temperature stability; Deformation twinning; Bimetal interface; Severe
plastic deformation; Texture; Crystal plasticity; Dislocations
ID CU/NB NANOSCALE MULTILAYERS; ROLLING TEXTURE DEVELOPMENT; NB
NANOLAMELLAR COMPOSITES; ZERO CREEP EXPERIMENTS; MECHANICAL-PROPERTIES;
GRAIN-BOUNDARIES; CRYSTAL PLASTICITY; THERMAL-STABILITY; MICROSTRUCTURAL
EVOLUTION; NANOCRYSTALLINE MATERIALS
AB Over the past 3-5 years, the ability to process interface dominant nanolayered bimetallic composites in bulk quantities has opened new opportunities for investigations into structural material behavior under extreme strains. This article reviews the emergence of mechanically stable, predominant bimetallic interface characters during nanomaterial synthesis via Accumulative Roll Bonding, a severe plastic deformation technique. This processing method itself imposes an extreme condition. We show that the interfaces that are naturally selected by this extreme operation remarkably prove to be stable under exposure to other extreme conditions, including elevated temperatures and ion irradiation. Through control of synthesis pathways, interfaces of the desired atomic structure can be manufactured using scalable thermomechanical processing techniques. This, in turn, opens unprecedented new possibilities for designing bulk materials with interface-dominant properties including enhanced strength, deformability, thermal stability, and radiation damage tolerance. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Mara, Nathan A.] Los Alamos Natl Lab, Inst Mat Sci, Los Alamos, NM 87545 USA.
[Mara, Nathan A.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
[Beyerlein, Irene J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Mara, NA (reprint author), POB 1663, Los Alamos, NM 87545 USA.
EM namara@lanl.gov
FU Los Alamos National Laboratory Laboratory Directed Research and
Development program; National Nuclear Security Administration of the
U.S. Department of Energy [DE-AC52-06NA25396]
FX The authors gratefully acknowledge funding from the Los Alamos National
Laboratory Laboratory Directed Research and Development program for
support. 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. 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.
NR 95
TC 6
Z9 6
U1 10
U2 42
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1359-0286
EI 1879-0348
J9 CURR OPIN SOLID ST M
JI Curr. Opin. Solid State Mat. Sci.
PD OCT
PY 2015
VL 19
IS 5
BP 265
EP 276
DI 10.1016/j.cossms.2015.04.002
PG 12
WC Materials Science, Multidisciplinary; Physics, Applied; Physics,
Condensed Matter
SC Materials Science; Physics
GA CS4QG
UT WOS:000362060400001
ER
PT J
AU Osetsky, YN
Calder, AF
Stoller, RE
AF Osetsky, Y. N.
Calder, A. F.
Stoller, R. E.
TI How do energetic ions damage metallic surfaces?
SO CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE
LA English
DT Review
DE Radiation damage; Displacement cascade; Surface modification; Shock
wave; Iron
ID MOLECULAR-DYNAMICS SIMULATIONS; DISPLACEMENT CASCADES; DEFECT
PRODUCTION; ALPHA-IRON; BOMBARDMENT; CLUSTERS
AB Surface modification of structural and functional materials under bombardment by energetic ions is observed under different conditions and can be either an unavoidable effect of the irradiation or an intentional modification to enhance materials properties. Understanding the basic mechanisms is necessary for predicting property changes. The mechanisms activated during ion irradiation are of atomic scale and atomic scale modeling is the most suitable tool to study these processes. In this paper, we present results of an extensive simulation program aimed at developing an understanding of primary surface damage in iron induced by energetic particles. We simulated 25 keV self-ion bombardment of Fe thin films with (1 0 0) and (1 1 0) surfaces at room temperature. A large number of simulations, similar to 400, were carried out allow a statistically significant treatment of the results. The particular mechanism of surface damage depends on how the destructive supersonic shock wave generated by the displacement cascade interacts with the free surface. Three scenarios were primarily observed, with the limiting cases being damage created far below the surface with little or no impact on the surface itself, and extensive direct surface damage on the timescale of a few picoseconds. In some cases, formation of large < 1 0 0 > vacancy loops beneath the free surface was observed, which may explain some earlier experimental observations. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Osetsky, Y. N.; Stoller, R. E.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Calder, A. F.] Univ Liverpool, Dept Engn, Liverpool L69 3GH, Merseyside, England.
RP Osetsky, YN (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
EM osetskiyyn@ornl.gov
OI Osetskiy, Yury/0000-0002-8109-0030
FU U.S. Department of Energy, Office of Basic Energy Sciences, Materials
Sciences and Engineering Division, "Center for Defect Physics," an
Energy Frontier Research Center
FX Research at the Oak Ridge National Laboratory sponsored by the U.S.
Department of Energy, Office of Basic Energy Sciences, Materials
Sciences and Engineering Division, "Center for Defect Physics," an
Energy Frontier Research Center.
NR 34
TC 4
Z9 4
U1 4
U2 19
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1359-0286
EI 1879-0348
J9 CURR OPIN SOLID ST M
JI Curr. Opin. Solid State Mat. Sci.
PD OCT
PY 2015
VL 19
IS 5
BP 277
EP 286
DI 10.1016/j.cossms.2014.12.001
PG 10
WC Materials Science, Multidisciplinary; Physics, Applied; Physics,
Condensed Matter
SC Materials Science; Physics
GA CS4QG
UT WOS:000362060400002
ER
PT J
AU Icenhower, JP
Saldi, GD
Daval, D
Knauss, KG
AF Icenhower, Jonathan P.
Saldi, Giuseppe D.
Daval, Damien
Knauss, Kevin G.
TI Experimental determination of the reactivity of the Frio Sandstone,
Texas, and the fate of heavy metals resulting from carbon dioxide
sequestration
SO ENVIRONMENTAL EARTH SCIENCES
LA English
DT Article
DE Carbon sequestration; Dickson autoclave; Experimental; Frio formation;
Heavy metals
ID SOLUBILITY MEASUREMENTS; SEDIMENTARY BASINS; DETRITAL FELDSPARS; CO2
INJECTION; BRINE PILOT; SOUTH TEXAS; WATER; STORAGE; OLIGOCENE; AQUIFERS
AB Experiments were carried out at 100 bar pressure and 60 or 150 degrees C in 0.7 m NaCl brine to characterize the reactivity of two Frio quartzofeldspathic sandstone compositions and to elucidate the fate of metals (Ba, Cr, Cu, Fe, Mn, Ni, Pb and Zn) in subsurface reservoirs targeted for carbon dioxide sequestration and storage. The solutions were either acidic (pH similar to 3) or near-neutral (pH similar to 8). In the former, acidity resulted from saturation with carbon dioxide (CO2) or by addition of HCl, and in the latter, the pH was attained by addition of NaHCO3. A pair of experiments was conducted without CO2 to trace the behavior of four dissolved metals (Cr, Ni, Pb and Zn) in circum-neutral solutions. The experiments were conducted in rocking autoclave reactors up to 67 days' time with solutions drawn periodically. Solution analyses indicated modest release of major elements from the starting materials to solution, even at 150 degrees C. Geochemical modeling indicated supersaturation of the solutions with respect to a variety of Fe-and Mn-bearing phases. Scanning electron microscope (SEM) analyses of the powders both before and after experiments showed evidence for minor dissolution of alkali feldspar, quartz, plagioclase and clay minerals. No evidence for precipitated carbonate phases was found in the CO2-bearing experiments. In general, the concentrations of the metals were below their respective maximum contaminant levels (MCLs) by the end of the experiment, except for Ba, and for Cr and Pb in the experiment in which near-neutral conditions were imposed from the beginning. The data are consistent with metal removal from solution as the pH changes from acidic to neutral and SEM results identified Fe-oxides and sulfides as the likely sinks for Cu, Cr and Zn. The data indicate that even under extreme conditions the likelihood of metal concentrations in drinking water exceeding MCLs through accidental mixing with CO2-bearing solution is very low.
C1 [Icenhower, Jonathan P.; Saldi, Giuseppe D.; Daval, Damien; Knauss, Kevin G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Icenhower, Jonathan P.] Sandia Natl Labs, Carlsbad, NM 88220 USA.
[Saldi, Giuseppe D.] Univ Toulouse, Geosci Environm Toulouse, Observ Midi Pyrenees, CNRS,IRD, F-31400 Toulouse, France.
[Daval, Damien] Univ Strasbourg, Lab Hydrol & Geochim Strasbourg, EOST CNRS UMR 7517, F-67084 Strasbourg, France.
RP Icenhower, JP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM jpicenh@sandia.gov
FU GEO-SEQ program, Office of Coal and Power Systems through the National
Energy Technology Laboratory; Lawrence Berkeley National Laboratory
under Department of Energy [DE-AC02-05CH11231]
FX This work was supported by the GEO-SEQ program, through the Assistant
Secretary for Fossil Energy, Office of Coal and Power Systems through
the National Energy Technology Laboratory (Karen Kluger, Program
Manager), and by Lawrence Berkeley National Laboratory under Department
of Energy Contract No. DE-AC02-05CH11231. We thank Jeff Urban (LBNL) for
allowing us to use the ICP-OES, Joern T. Larsen (LBNL) for use of the
ICP-MS and April Van Hise and Li Yang for their technical assistance
during fluid sample analyses and BET measurements. We also thank
Nicholas Pester (LBNL) and Susan Hovorka for insightful reviews of
earlier drafts of this manuscript.
NR 29
TC 0
Z9 0
U1 13
U2 21
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1866-6280
EI 1866-6299
J9 ENVIRON EARTH SCI
JI Environ. Earth Sci.
PD OCT
PY 2015
VL 74
IS 7
BP 5501
EP 5516
DI 10.1007/s12665-015-4560-y
PG 16
WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources
SC Environmental Sciences & Ecology; Geology; Water Resources
GA CS4AD
UT WOS:000362016100004
ER
PT J
AU Kyle, P
Thomson, A
Wise, M
Zhang, XS
AF Kyle, Page
Thomson, Allison
Wise, Marshall
Zhang, Xuesong
TI Assessment of the importance of spatial scale in long-term land use
modeling of the Midwestern United States
SO ENVIRONMENTAL MODELLING & SOFTWARE
LA English
DT Article
DE Integrated assessment; Multivariate statistics; Non-metric
multidimensional scaling; Agriculture and land use
ID STABILIZATION; SCENARIOS; MITIGATION; IMPACTS; PATHWAY; GROWTH
AB This study assesses the value of enhanced spatial resolution in the agriculture and land use component of an integrated assessment (IA) model. IA models typically represent land use decisions at finer resolution than the energy and economic components, to account for spatial heterogeneity of land productivity and use. However, increasing spatial resolution incurs costs, from additional input data processing, run time, and complexity of results. This study uses the Global Change Assessment Model (GCAM) to analyze land use in the Midwestern United States in three levels of spatial aggregation, and three climate change mitigation scenarios. For visualization and simplification of higher resolution model output, we use nonmetric multidimensional scaling. We find that the level of spatial aggregation influences the magnitude but not the direction of land use change in response to the modeled drivers, and in the examples analyzed, increasing spatial resolution reduces the extent of land use change. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Kyle, Page; Thomson, Allison; Wise, Marshall; Zhang, Xuesong] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA.
RP Kyle, P (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, 5825 Univ Res Ct,Suite 3500, College Pk, MD 20740 USA.
EM pkyle@pnnl.gov
RI zhang, xuesong/B-7907-2009
FU Office of Science of the U.S. Department of Energy through the
Integrated Assessment Research Program as part of the Regional
Integrated Assessment Modeling (RIAM) project [KP1703030]; Platform for
Regional Integrated Modeling and Analysis Initiative (PRIMA); DOE
[DE-AC05-76RL01830]; DOE Great Lakes Bioenergy Research Center (DOE BER
Office of Science) [DE-FC02-07ER64494, KP1601050]; DOE Great Lakes
Bioenergy Research Center (DOE EERE OBP) [20469-19145]
FX This research was supported by the Office of Science of the U.S.
Department of Energy through the Integrated Assessment Research Program
as part of the Regional Integrated Assessment Modeling (RIAM) project
(KP1703030). This research leveraged capabilities that were funded by
the Platform for Regional Integrated Modeling and Analysis Initiative
(PRIMA), which was conducted under the Laboratory Directed Research and
Development Program at Pacific Northwest National Laboratory (PNNL).
PNNL is operated for DOE by Battelle Memorial Institute under contract
DE-AC05-76RL01830. GPK conducted GCAM simulations and NMDS statistical
analysis; XZ provided the high resolution input dataset and
interpretation; AMT and GPK conceived of the study; MAW provided
interpretation of GCAM results; GPK, AMT and MAW wrote the paper. XZ's
contributions were funded by the DOE Great Lakes Bioenergy Research
Center (DOE BER Office of Science DE-FC02-07ER64494, DOE BER Office of
Science KP1601050, DOE EERE OBP 20469-19145). The views and opinions
expressed in this paper are those of the authors alone.
NR 42
TC 1
Z9 1
U1 1
U2 6
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 1364-8152
EI 1873-6726
J9 ENVIRON MODELL SOFTW
JI Environ. Modell. Softw.
PD OCT
PY 2015
VL 72
BP 261
EP 271
DI 10.1016/j.envsoft.2015.06.006
PG 11
WC Computer Science, Interdisciplinary Applications; Engineering,
Environmental; Environmental Sciences
SC Computer Science; Engineering; Environmental Sciences & Ecology
GA CS2MX
UT WOS:000361906400022
ER
PT J
AU Tang, R
Chen, MJ
Zhou, K
Chen, DZ
Yu, J
Hu, WY
Song, L
Hang, B
Wang, XR
Xia, YK
AF Tang, Rong
Chen, Minjian
Zhou, Kun
Chen, Daozhen
Yu, Jing
Hu, Weiyue
Song, Ling
Hang, Bo
Wang, Xinru
Xia, Yankai
TI Prenatal lignan exposures, pregnancy urine estrogen profiles and birth
outcomes
SO ENVIRONMENTAL POLLUTION
LA English
DT Article
DE Lignans; Estrogen profiles; Length of gestation; Birth outcomes
ID BREAST-CANCER CELLS; TIME-RESOLVED FLUOROIMMUNOASSAY; IDIOPATHIC
MALE-INFERTILITY; MASS-SPECTROMETRY; PRETERM DELIVERY; UNITED-STATES;
FETAL-GROWTH; BISPHENOL-A; PHYTOESTROGENS; WOMEN
AB During pregnancy, human exposure to endogenous estrogens and xenoestrogens (such as lignans) may comprehensively impact the gestational maintenance and fetal growth. We measured the concentrations of 5 lignans and the profile of 13 estrogen metabolites (EMs) in the urine samples of 328 pregnant women and examined their associations with birth outcomes. We found significantly positive associations between gestational age and urinary matairesinol (MAT), enterodiol (END) and enterolactone (ENL), as well as 16-hydroxylation pathway EMs. There were consistently positive relationships between END and the 16-hydroxylation pathway EMs. The positive relationships of MAT, END and ENL exposures with the length of gestation were mainly in the low exposure strata of the levels of these EMs. This study reveals that MAT, END and ENL as well as 16-hydroxylation pathway EMs are associated with birth outcomes, and that there are interactive relationships between lignans and 16-hydroxylation pathway EMs with birth outcomes. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Tang, Rong; Chen, Minjian; Zhou, Kun; Hu, Weiyue; Song, Ling; Wang, Xinru; Xia, Yankai] Nanjing Med Univ, Sch Publ Hlth, Inst Toxicol, State Key Lab Reprod Med, Nanjing 211166, Jiangsu, Peoples R China.
[Tang, Rong] Jiangsu Prov Ctr Dis Control & Prevent, Nanjing 210009, Peoples R China.
[Tang, Rong; Chen, Minjian; Zhou, Kun; Hu, Weiyue; Song, Ling; Wang, Xinru; Xia, Yankai] Nanjing Med Univ, Sch Publ Hlth, Key Lab Modern Toxicol, Minist Educ, Nanjing 211166, Jiangsu, Peoples R China.
[Chen, Daozhen] Nanjing Med Univ, Wuxi Maternal & Child Hlth Care, Wuxi 214002, Peoples R China.
[Yu, Jing] Nanjing Med Univ, Sch Publ Hlth, Dept Hygien Anal & Detect, Nanjing 211166, Jiangsu, Peoples R China.
[Hang, Bo] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
RP Xia, YK (reprint author), Nanjing Med Univ, Sch Publ Hlth, Inst Toxicol, State Key Lab Reprod Med, 101 Longmian Rd, Nanjing 211166, Jiangsu, Peoples R China.
EM yankaixia@njmu.edu.cn
FU National 973 Program [2012CBA01306]; National Science Fund for
Outstanding Young Scholars [81322039]; National Natural Science
Foundation [31371524, 81402713]; Distinguished Young Scholars of Jiangsu
Province [BK20130041]; Young Scholars of Jiangsu Province [BK20140909];
Priority Academic Program Development of Jiangsu Higher Education
Institutions (PAPD); Key Project of the Science and Technology
Development Foundation of Nanjing Medical University [2013NJMU020]
FX This work was supported by the National 973 Program (2012CBA01306); the
National Science Fund for Outstanding Young Scholars (81322039); the
National Natural Science Foundation (31371524) (81402713); Distinguished
Young Scholars of Jiangsu Province (BK20130041); Young Scholars of
Jiangsu Province (BK20140909); Priority Academic Program Development of
Jiangsu Higher Education Institutions (PAPD); the Key Project of the
Science and Technology Development Foundation of Nanjing Medical
University (2013NJMU020).
NR 50
TC 1
Z9 1
U1 2
U2 11
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0269-7491
EI 1873-6424
J9 ENVIRON POLLUT
JI Environ. Pollut.
PD OCT
PY 2015
VL 205
BP 261
EP 268
DI 10.1016/j.envpol.2015.06.006
PG 8
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA CS8AM
UT WOS:000362308100030
PM 26093977
ER
PT J
AU Greives, TJ
Kingma, SA
Kranstauber, B
Mortega, K
Wikelski, M
van Oers, K
Mateman, AC
Ferguson, GA
Beltrami, G
Hau, M
AF Greives, Timothy J.
Kingma, Sjouke A.
Kranstauber, Bart
Mortega, Kim
Wikelski, Martin
van Oers, Kees
Mateman, A. Christa
Ferguson, Glen A.
Beltrami, Giulia
Hau, Michaela
TI Costs of sleeping in: circadian rhythms influence cuckoldry risk in a
songbird
SO FUNCTIONAL ECOLOGY
LA English
DT Article
DE biological rhythms; daily rhythms; melatonin; passerine
ID REPRODUCTIVE SUCCESS; EXTRAPAIR PATERNITY; RADIO-TELEMETRY; BLUE TITS;
DAWN SONG; MELATONIN; CLOCK; FITNESS; BIRDS; SYNCHRONIZATION
AB 1. Circadian (i.e. daily) regulation of behaviours is thought to provide fitness benefits to organisms by enabling them to anticipate diel changes in the environment, such as sunrise.
2. A common behaviour among socially monogamous songbirds that usually takes place in the early mornings is extra-pair mating, that is copulating with partners outside of the social pair bond.
3. Thus, variation in when individuals begin their daily activity may influence their reproductive success; early risers may be better able to gain copulations and guard their partners, thus minimizing their risk of being cuckolded compared with late risers. Sexual selection may thus play an important role in shaping circadian behaviours, but this assumption has yet to be tested in free-living animals.
4. Here, we experimentally weakened endogenous circadian rhythmicity, and thus, anticipation of dawn in male great tits (Parus major) in the wild through the subcutaneous administration of implants filled with melatonin shortly before egg-laying began in this population. Melatonin is a hormone released during the dark phase at night and is one important cue animals use to entrain their circadian clock.
5. Experimental individuals delayed the onset of daily activity compared with controls and were more likely to be cuckolded compared with control males. Manipulation did not alter other behavioural traits observed; no difference between treatments was observed in activity levels during the day or in the end time of daily activity.
6. These results strongly support the assumption that selection, particularly sexual selection, shapes the circadian phenotypes of wild vertebrates which enable anticipation of important and predictive diel changes in an individual's biotic and abiotic environment.
C1 [Greives, Timothy J.] N Dakota State Univ, Dept Biol Sci, Fargo, ND 58102 USA.
[Kingma, Sjouke A.] Univ E Anglia, Sch Biol Sci, Norwich NR4 7TJ, Norfolk, England.
[Kingma, Sjouke A.] Univ Groningen, Ctr Ecol & Evolutionary Studies, Behav Ecol & Self Org Grp, NL-9747 AG Groningen, Netherlands.
[Kranstauber, Bart; Mortega, Kim; Wikelski, Martin] Max Planck Inst Ornithol, Dept Migrat & Immunoecol, D-78315 Radolfzell am Bodensee, Germany.
[Mortega, Kim; Wikelski, Martin; Hau, Michaela] Univ Konstanz, Dept Biol, D-78457 Constance, Germany.
[van Oers, Kees; Mateman, A. Christa] Netherlands Inst Ecol NIOO KNAW, Dept Anim Ecol, NL-6700 AB Wageningen, Netherlands.
[Ferguson, Glen A.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA.
[Beltrami, Giulia] Univ Ferrara, Dipartimento Biol & Evoluz, I-44100 Ferrara, Italy.
[Hau, Michaela] Max Planck Inst Ornithol, Evolutionary Physiol Grp, D-82319 Seewiesen, Germany.
RP Greives, TJ (reprint author), N Dakota State Univ, Dept Biol Sci, 1340 Bolley Dr, Fargo, ND 58102 USA.
EM timothy.greives@ndsu.edu
RI van Oers, Kees/B-2562-2009; Mateman, Christa/C-9380-2012;
OI van Oers, Kees/0000-0001-6984-906X; Mortega, Kim
Geraldine/0000-0002-2645-6677; KNAW, NIOO-KNAW/0000-0002-3835-159X
FU NSF [IRFP-0852986]; ND EPSCoR; Max Planck Gesellschaft
FX The authors would like to thank S. Austin, S. Kiefer, J. Lodde, M.
Quetting, H. Schmid and M. van Toor for help in the field. N.
Dochtermann, B. Heidinger, B. Helm, J. Partecke and A. Peters provided
valuable discussion and feedback. R. Holland helped with establishing
telemetry in this field site. The animal technical staff at the MPIO,
Radolfzell, provided exceptional animal care. Research was funded by an
NSF IRFP-0852986 and ND EPSCoR to T.J.G. and by the Max Planck
Gesellschaft to M.H.
NR 56
TC 6
Z9 6
U1 12
U2 57
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0269-8463
EI 1365-2435
J9 FUNCT ECOL
JI Funct. Ecol.
PD OCT
PY 2015
VL 29
IS 10
BP 1300
EP 1307
DI 10.1111/1365-2435.12440
PG 8
WC Ecology
SC Environmental Sciences & Ecology
GA CS9FN
UT WOS:000362395400007
ER
PT J
AU Graham, EJS
Chu, SP
Pawar, RJ
AF Graham, Enid J. Sullivan
Chu, Shaoping
Pawar, Rajesh J.
TI Probabilistic cost estimation methods for treatment of water extracted
during CO2 storage and EOR
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Article
DE Organic pretreatment; Reverse osmosis; Multiple-effect distillation;
Importance analysis; Monte Carlo simulation
ID DESALINATION; TECHNOLOGIES; CAPTURE; SYSTEM
AB Extraction and treatment of in situ water can minimize risk for large-scale CO2 injection in saline aquifers during carbon capture, utilization, and storage (CCUS), and for enhanced oil recovery (EOR). Additionally, treatment and reuse of oil and gas produced waters for hydraulic fracturing will conserve scarce freshwater resources. Each treatment step, including transportation and waste disposal, generates economic and engineering challenges and risks; these steps should be factored into a comprehensive assessment. We expand the water treatment model (WTM) coupled within the sequestration system model CO2-PENS and use chemistry data from seawater and proposed injection sites in Wyoming, to demonstrate the relative importance of different water types on costs, including little-studied effects of organic pretreatment and transportation. We compare the WTM with an engineering water treatment model, utilizing energy costs and transportation costs. Specific energy costs for treatment of Madison Formation brackish and saline base cases and for seawater compared closely between the two models, with moderate differences for scenarios incorporating energy recovery. Transportation costs corresponded for all but low flow scenarios (<5000 m(3)/d). Some processes that have high costs (e.g., truck transportation) do not contribute the most variance to overall costs. Other factors, including feed-water temperature and water storage costs, are more significant contributors to variance. These results imply that the WTM can provide good estimates of treatment and related process costs (AACEI equivalent level 5, concept screening, or level 4, study or feasibility), and the complex relationships between processes when extracted waters are evaluated for use during CCUS and EOR site development. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Graham, Enid J. Sullivan] Los Alamos Natl Lab, Chem Diagnost & Engn Grp, Los Alamos, NM 87545 USA.
[Chu, Shaoping; Pawar, Rajesh J.] Los Alamos Natl Lab, Computat Earth Sci Grp, Los Alamos, NM 87545 USA.
RP Graham, EJS (reprint author), Los Alamos Natl Lab, Chem Diagnost & Engn Grp, MS J964, Los Alamos, NM 87545 USA.
EM ejs@lanl.gov
FU US DOE's Office of Fossil Energy through the National Energy Technology
Laboratory's Carbon Sequestration Program
FX This work was funded by the US DOE's Office of Fossil Energy through the
National Energy Technology Laboratory's Carbon Sequestration Program. We
acknowledge the review by Richard S. Middleton and two anonymous
reviewers.
NR 45
TC 2
Z9 2
U1 0
U2 7
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 OCT
PY 2015
VL 41
BP 316
EP 327
DI 10.1016/j.ijggc.2015.07.026
PG 12
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA CS5VB
UT WOS:000362145300026
ER
PT J
AU LaForce, T
Freifeld, BM
Ennis-King, J
Boreham, C
Paterson, L
AF LaForce, T.
Freifeld, Barry M.
Ennis-King, J.
Boreham, C.
Paterson, L.
TI Residual CO2 saturation estimate using noble gas tracers in a
single-well field test: The CO2CRC Otway project (vol 26, pg 9, 2014)
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Correction
C1 [LaForce, T.; Ennis-King, J.; Paterson, L.] CSIRO Earth Sci & Resource Engn, CO2CRC, Clayton, Vic 3169, Australia.
[Freifeld, Barry M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Boreham, C.] Geosci Australia, CO2CRC, Canberra, ACT 2601, Australia.
RP LaForce, T (reprint author), CSIRO Energy, Private Bag 10, Clayton, Vic 3169, Australia.
EM tara.laforce@csiro.au
RI Freifeld, Barry/F-3173-2010
NR 1
TC 0
Z9 0
U1 1
U2 5
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 OCT
PY 2015
VL 41
BP 358
EP 358
DI 10.1016/j.ijggc.2015.06.018
PG 1
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA CS5VB
UT WOS:000362145300029
ER
PT J
AU Bambha, RP
Michelsen, HA
AF Bambha, Ray P.
Michelsen, Hope A.
TI Effects of aggregate morphology and size on laser-induced incandescence
and scattering from black carbon (mature soot)
SO JOURNAL OF AEROSOL SCIENCE
LA English
DT Article
DE Soot; Black carbon; LII; Scattering; SP2; Morphology
ID ABSORPTION CROSS-SECTION; LOW-FLUENCE LII; LIGHT-SCATTERING; DIFFUSION
FLAME; PRIMARY PARTICLE; HEAT-CONDUCTION; MIXING STATE; PULSED-LASER;
TEMPERATURE; PHOTOMETER
AB We have used a Single-Particle Soot Photometer (SP2) to measure time-resolved laser-induced incandescence (LII) and laser scatter from combustion-generated mature soot with a fractal dimension of 1.88 extracted from a burner. We have also made measurements on restructured mature-soot particles with a fractal dimension of 2.3-2A. We reproduced the LII and laser scatter temporal profiles with an energy- and mass balance model, which accounted for heating of particles passed through a CW-laser beam over laser particle interaction times of 10 is, The results demonstrate a strong influence of aggregate size and morphology on LII and scattering signals. Conductive cooling competes with absorptive heating on these time scales; the effects are reduced with increasing aggregate size and fractal dimension. These effects can lead to a significant delay in the onset of the LII signal and may explain an apparent low bias in the SP2 measurements for small particle sizes, particularly for fresh, mature soot. The results also reveal significant perturbations to the measured scattering signal from LII interference and suggest rapid expansion of the aggregates during sublimation. (C) 2015 The Authors. Published by Elsevier Ltd.
C1 [Bambha, Ray P.; Michelsen, Hope A.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
RP Michelsen, HA (reprint author), Sandia Natl Labs, POB 969,MS 9055, Livermore, CA 94551 USA.
EM hamiche@sandia.gov
FU Laboratory Directed Research and Development program at Sandia National
Laboratories; Division of Chemical Sciences, Geosciences, and
Biosciences, the Office of Basic Energy Sciences, the US Department of
Energy; U.S. Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]
FX We thank Gavin McMeeking (DMT) for sharing information about the SP2
instrument that enabled us to predict its temporal response, Daniel
Strong (Sandia) for creating the rendition of the experimental setup
shown in Fig. 1, Amy Halloran (Sandia) for helpful suggestions, Chris
Sorensen (Kansas State Univ.) for pointing out that Rg should
increase with temperature, and Beth Rieken (Sandia) for assistance with
data processing. This work was funded by the Laboratory Directed
Research and Development program at Sandia National Laboratories. The
thermodenuder, CPMA, and LII-model development were funded by the
Division of Chemical Sciences, Geosciences, and Biosciences, the Office
of Basic Energy Sciences, 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 U.S. Department of Energy's National Nuclear
Security Administration under contract DE-AC04-94AL85000.
NR 79
TC 5
Z9 5
U1 13
U2 32
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0021-8502
EI 1879-1964
J9 J AEROSOL SCI
JI J. Aerosol. Sci.
PD OCT
PY 2015
VL 88
BP 159
EP 181
DI 10.1016/j.jacrosci.2015.06.006
PG 23
WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences;
Meteorology & Atmospheric Sciences
SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric
Sciences
GA CS2OC
UT WOS:000361909600013
ER
PT J
AU Yang, YL
Ni, J
Hsu, PC
Mao, JH
Hsieh, D
Xu, A
Chan, G
Au, A
Xu, ZD
Jablons, DM
You, L
AF Yang, Yi-Lin
Ni, Jian
Hsu, Ping-Chih
Mao, Jian-Hua
Hsieh, David
Xu, Angela
Chan, Geraldine
Au, Alfred
Xu, Zhidong
Jablons, David M.
You, Liang
TI Cul4A overexpression associated with Gli1 expression in malignant
pleural mesothelioma
SO JOURNAL OF CELLULAR AND MOLECULAR MEDICINE
LA English
DT Article
DE malignant pleural mesothelioma; Cul4A; Gli1; hedgehog signalling; mTOR
ID EPITHELIAL-MESENCHYMAL TRANSITION; UBIQUITIN LIGASE; CANCER; TARGETS;
INHIBITOR; HEDGEHOG; GENE; AMPLIFICATION; DEGRADATION; CROSSTALK
AB Malignant pleural mesothelioma (mesothelioma) is a highly aggressive cancer without an effective treatment. Cul4A, a scaffold protein that recruits substrates for degradation, is amplified in several human cancers, including mesothelioma. We have recently shown that Cul4A plays an oncogenic role invitro and in a mouse model. In this study, we analysed clinical mesothelioma tumours and found moderate to strong expression of Cul4A in 70.9% (51/72) of these tumours, as shown by immunohistochemistry. In 72.2% mesothelioma tumours with increased Cul4A copy number identified by fluorescence insitu hybridization analysis, Cul4A protein expression was moderate to strong. Similarly, Cul4A was overexpressed and Cul4A copy number was increased in human mesothelioma cell lines. Because Gli1 is highly expressed in human mesothelioma cells, we compared Cul4A and Gli1 expression in mesothelioma tumours and found their expression associated (P<0.05, chi-square). In mesothelioma cell lines, inhibiting Cul4A by siRNA decreased Gli1 expression, suggesting that Gli1 expression is, at least in part, regulated by Cul4A in mesothelioma cells. Our results suggest a linkage between Cul4A and Gli1 expression in human mesothelioma.
C1 [Yang, Yi-Lin; Ni, Jian; Hsu, Ping-Chih; Hsieh, David; Xu, Angela; Chan, Geraldine; Xu, Zhidong; Jablons, David M.; You, Liang] Univ Calif San Francisco, Dept Surg, Helen Diller Family Comprehens Canc Ctr, San Francisco, CA 94143 USA.
[Ni, Jian] Tongji Univ, Dept Oncol, Shanghai Pulm Hosp, Sch Med, Shanghai 200092, Peoples R China.
[Hsu, Ping-Chih] Chang Gung Mem Hosp, Dept Thorac Med, Taoyuan, Taiwan.
[Mao, Jian-Hua] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
[Au, Alfred] Univ Calif San Francisco, Div Diagnost Pathol, Helen Diller Family Comprehens Canc Ctr, San Francisco, CA 94143 USA.
RP You, L (reprint author), Univ Calif San Francisco, Dept Surg, Helen Diller Family Comprehens Canc Ctr, San Francisco, CA 94143 USA.
EM liang.you@ucsfmedctr.org
FU NIH [R01 CA140654-01A1]; Kazan, McClain, Abrams, Fernandez, Lyons,
Greenwood, Harley & Oberman Foundation, Inc; Estate of Robert Griffiths;
Jeffrey and Karen Peterson Family Foundation; Paul and Michelle
Zygielbaum; Estate of Norman Mancini; Barbara Isackson Lung Cancer
Research Fund
FX The present work was supported by NIH grant R01 CA140654-01A1 (LY). We
are grateful for support from the Kazan, McClain, Abrams, Fernandez,
Lyons, Greenwood, Harley & Oberman Foundation, Inc; the Estate of Robert
Griffiths; the Jeffrey and Karen Peterson Family Foundation; Paul and
Michelle Zygielbaum; the Estate of Norman Mancini; and the Barbara
Isackson Lung Cancer Research Fund. We thank Loretta Chan in the UCSF
Cancer Center Tissue Core for her help. We also thank Pamela Derish in
the UCSF Department of Surgery for editorial assistance with the
manuscript.
NR 26
TC 3
Z9 3
U1 0
U2 1
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1582-4934
J9 J CELL MOL MED
JI J. Cell. Mol. Med.
PD OCT
PY 2015
VL 19
IS 10
BP 2385
EP 2396
DI 10.1111/jcmm.12620
PG 12
WC Cell Biology; Medicine, Research & Experimental
SC Cell Biology; Research & Experimental Medicine
GA CS6WB
UT WOS:000362222800008
PM 26218750
ER
PT J
AU Hidaka, Y
Lin, S
Pisarski, RD
Satow, D
AF Hidaka, Yoshimasa
Lin, Shu
Pisarski, Robert D.
Satow, Daisuke
TI Dilepton and photon production in the presence of a nontrivial Polyakov
loop
SO JOURNAL OF HIGH ENERGY PHYSICS
LA English
DT Article
DE QCD Phenomenology; Heavy Ion Phenomenology
ID QUARK-GLUON PLASMA; HEAVY-ION COLLISIONS; THERMAL PHOTONS; QCD; PHASE;
THERMODYNAMICS; CONFINEMENT; TRANSITION; DYNAMICS; EQUATION
AB We calculate the production of dileptons and photons in the presence of a nontrivial Polyakov loop in QCD. This is applicable to the semi-Quark Gluon Plasma (QGP), at temperatures above but near the critical temperature for deconfinement. The Polyakov loop is small in the semi-QGP, and near unity in the perturbative QGP. Working to leading order in the coupling constant of QCD, we find that there is a mild enhancement, similar to 20%, for dilepton production in the semi-QGP over that in the perturbative QGP. In contrast, we find that photon production is strongly suppressed in the semi-QGP, by about an order of magnitude, relative to the perturbative QGP. In the perturbative QGP photon production contains contributions from 2 -> 2 scattering and collinear emission with the Landau-Pomeranchuk-Migdal (LPM) effect. In the semi-QGP we show that the two contributions are modified differently. The rate for 2 -> 2 scattering is suppressed by a factor which depends upon the Polyakov loop. In contrast, in an SU(N) gauge theory the collinear rate is suppressed by 1/N, so that the LPM effect vanishes at N = infinity. To leading order in the semi-QGP at large N, we compute the rate from 2 -> 2 scattering to the leading logarithmic order and the collinear rate to leading order.
C1 [Hidaka, Yoshimasa] RIKEN, Nishina Ctr, Theoret Res Div, Wako, Saitama 3510198, Japan.
[Lin, Shu; Pisarski, Robert D.] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA.
[Pisarski, Robert D.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
[Satow, Daisuke] European Ctr Theoret Studies Nucl Phys & Related, I-38123 Villazzano, TN, Italy.
[Satow, Daisuke] Fdn Bruno Kessler, I-38123 Villazzano, TN, Italy.
RP Hidaka, Y (reprint author), RIKEN, Nishina Ctr, Theoret Res Div, 2-1 Hirosawa, Wako, Saitama 3510198, Japan.
EM hidaka@riken.jp; slin@quark.phy.bnl.gov; pisarski@bnl.gov;
daisuke.sato@riken.jp
FU JSPS KAKENHI [24740184]; RIKEN iTHES Project; RIKEN Foreign Postdoctoral
Researchers Program; DOE Contract [DE-SC0012704]; RIKEN/BNL Research
Center; JSPS Strategic Young Researcher Overseas Visits Program for
Accelerating Brain Circulation [R2411]
FX R.D.P. would like to thank C. Islam, S. Majumder, N. Hague, and M.
Mustafa for discussions about their work on dilepton production in the
PNJL model [99] in Mumbai, at the workshop "QCD at high density", and in
Kolkata, at the "7th International Conference on Physics and
Astrophysics of the Quark-Gluon Plasma". 2 S.L. would like to thank B.
Wu and L. Yaffe for useful discussions. Y.H. is supported by JSPS
KAKENHI (Grants No. 24740184), and by the RIKEN iTHES Project. S.L. is
supported by the RIKEN Foreign Postdoctoral Researchers Program. R.D.P.
is supported by DOE Contract DE-SC0012704 and by the RIKEN/BNL Research
Center. D.S. is supported by JSPS Strategic Young Researcher Overseas
Visits Program for Accelerating Brain Circulation (No. R2411).
NR 110
TC 9
Z9 9
U1 1
U2 1
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 OCT 1
PY 2015
IS 10
AR 005
DI 10.1007/JHEP10(2015)005
PG 57
WC Physics, Particles & Fields
SC Physics
GA CS7OD
UT WOS:000362272000004
ER
PT J
AU Urness, KN
Guan, Q
Troy, TP
Ahmed, M
Daily, JW
Ellison, GB
Simmie, JM
AF Urness, Kimberly N.
Guan, Qi
Troy, Tyler P.
Ahmed, Musahid
Daily, John W.
Ellison, G. Barney
Simmie, John M.
TI Pyrolysis Pathways of the Furanic Ether 2-Methoxyfuran
SO JOURNAL OF PHYSICAL CHEMISTRY A
LA English
DT Article
ID PHOTOIONIZATION CROSS-SECTIONS; EVALUATED KINETIC-DATA; SET MODEL
CHEMISTRY; FREE-RADICALS; IONIZATION-POTENTIALS; PHOTOELECTRON-SPECTRA;
COMBUSTION CHEMISTRY; ELECTRONIC-STRUCTURE; AROMATIC-COMPOUNDS; 2(5H)
FURANONE
AB Substituted furans, including furanic ethers, derived from nonedible biomass have been proposed as second-generation biofuels. In order to use these molecules as fuels, it is important to understand how they break apart thermally. In this work, a series of experiments Were conducted to study the unimolecular and low, pressure bimolecular decomposition mechanisms of the smallest furanic ether, 2-methoxyfuran. Electronic structure (CBS-QB3) calculations indicate this substituted furan has an unusually weak O-CH3 bond, approximately 190 kJ mol(-1) (45 kcal mol(-1)); thus, the primary decomposition pathway is through bond scission resulting in CH3 and 2-foranyloxy (O-C4H(3)O) radicals: Final products from the ring opening of the furanyloxy radical include 2 CO, HC equivalent to CH, and H. The decomposition of methoxyfuran is studied over a range of concentrations (0.0025-0.1%) in helium or argon in a heated silicon carbide (SiC) microtubular flow reactor (0.66-1 min i.d., 2.5-3.5, cm long) with reactor wall temperatures from 300 to 1300 K. Inlet pressures to the reactor are 150-1500 Torr, and the gas mixture emerges as a skimmed molecular beam at a pressure of approximately 10 mu Torr. Products formed at early pyrolysis times (100 mu s) are detected by 118.2 nm (10.487 eV) photoionization mass spectrometry (PIMS), tunable synchrotron VUV PIMS, and matrix infrared absorption spectroscopy. Secondary products resulting from H or CH3 addition to the parent and reaction with 2,furanyloxy were also observed and include CH2=CH-CHO, CH3-CH=CH-CHO, CH3-CO-CH=CH2, and furanones; under the conditions in the reactor, we estimate these reactions contribute to at most 1-3% of total methoxyfuran decomposition. This work also includes observation and characterization of an allylic lactone radical, 2-furanyloxy (O-C4H3O), with the assignment of several intense vibrational bands in an Ar matrix, an estimate of the ionization threshold; and photoionization efficiency. A pressure-dependent kinetic mechanism is also developed to model the decomposition behavior of methoxyfuran and provide pathways for the minor bimolecular reaction channels that are observed experimentally.
C1 [Urness, Kimberly N.; Guan, Qi; Daily, John W.] Univ Colorado, Dept Engn Mech, Boulder, CO 80309 USA.
[Troy, Tyler P.; Ahmed, Musahid] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Ellison, G. Barney] Univ Colorado, Dept Chem, Boulder, CO 80309 USA.
[Simmie, John M.] Natl Univ Ireland, Sch Chem, Combust Chem Ctr, Galway, Ireland.
RP Urness, KN (reprint author), Univ Colorado, Dept Engn Mech, Boulder, CO 80309 USA.
EM kimberly.urness@colorado.edu; barney@jila.colorado.edu
RI Ahmed, Musahid/A-8733-2009
FU United States Department of Energy [DE-FG02-93ER14364]; National Science
Foundation [CHE-0848606, CHD-1112466]; Chemical Sciences Division of the
U.S. Department of Energy [DE-AC02-05CH11231]
FX We acknowledge the United States Department of Energy (grant:
DE-FG02-93ER14364) and the National Science Foundation (CHE-0848606 and
CHD-1112466) for support of K.N.U., J.W.D, and G.B.E. K.N.U.
specifically thanks Dr. Adam Scheer for photodiode measurements in
addition to the most up-to-date photoionization cross section data. MA,
T.P.T., and the Advanced Light Source are supported by the Director,
Office of Energy Research, Office of Basic Energy Sciences and the
Chemical Sciences Division of the U.S. Department of Energy (contract:
DE-AC02-05CH11231). J.M.S. thanks Dr. Kieran Somers for discussions on
mechanistic aspects and the Irish Centre for High-End Computing (ICHEC)
for the provisions of computational resources.
NR 79
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U1 4
U2 20
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1089-5639
J9 J PHYS CHEM A
JI J. Phys. Chem. A
PD OCT 1
PY 2015
VL 119
IS 39
BP 9962
EP 9977
DI 10.1021/acs.jpca.5b06779
PG 16
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA CS9BP
UT WOS:000362384400003
PM 26351733
ER
PT J
AU Johnson, TJ
Sweet, LE
Meier, DE
Mausolf, EJ
Kim, E
Weck, PF
Buck, EC
McNamara, BK
AF Johnson, Timothy J.
Sweet, Lucas E.
Meier, David E.
Mausolf, Edward J.
Kim, Eunja
Weck, Philippe F.
Buck, Edgar C.
McNamara, Bruce K.
TI Time-Resolved Infrared Reflectance Studies of the Dehydration-Induced
Transformation of Uranyl Nitrate Hexahydrate to the Trihydrate Form
SO JOURNAL OF PHYSICAL CHEMISTRY A
LA English
DT Article
ID GAS-PHASE; MU-M; SPECTRA; COMPLEXES; SCATTERING; SPECTROSCOPY;
DIFFRACTION; HYDROLYSIS; MINERALS; SURFACES
AB Uranyl nitrate is a key species in the nuclear fuel cycle. However, this species is known to exist in different states of hydration, including the hexahydrate ([UO2(NO3)(2)(H2O)(6)] often called UNH), the trihydrate [UO2(NO3)(2)(H2O)3 or UNT], and in very dry environments the dihydrate form [UO2(NO3)(2)(H2O)(2)]. Their relative stabilities depend on both water vapor pressure and temperature. In the 1950s and 1960s, the different phases were studied by infrared trarismission spectroscopy but were limited both by instrumental resolution and by the ability to prepare the samples for transmission. We have revisited this problem using time-resolved reflectance spectroscopy, which requires no sample preparation and allows dynamic analysis while the sample is exposed to a flow of N-2 gas. Samples of known hydration state were prepared and confirmed via X-ray diffraction patterns of known species. In reflectance mode the hexahydrate UO2(NO3)(2)(H2O)(6) has a distinct uranyl asymmetric stretch band at 949.0 cm(-1) that shifts to shorter wavelengths and broadens as the sample desiccates and recrystallizes to the trihydrate, first as a shoulder growing in on the blue edge but ultimately results in a doublet band with reflectance peaks at 966 and 957 cm(-1). The data are consistent with transformation from UNH to UNT as UNT has two inequivalent UO22+ sites. The dehydration of UO2(NO3)(2)(H2O)(6) to UO2(NO3)(2)(H2O)3 is both a structural and morphological change that has the lustrous lime green UO2(NO3)(2)(H2O)(6) crystals changing to the matte greenish yellow of the trihydrate solid. The phase transformation and crystal structures were confirmed by density functional theory calculations and optical microscopy methods, both of which showed a transformation with two distinct sites for the uranyl cation in the trihydrate, with only one in the hexahydrate.
C1 [Johnson, Timothy J.; Sweet, Lucas E.; Meier, David E.; Mausolf, Edward J.; Buck, Edgar C.; McNamara, Bruce K.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Mausolf, Edward J.] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA.
[Mausolf, Edward J.] Univ Nevada, Harry Reid Ctr Environm Studies, Las Vegas, NV 89154 USA.
[Kim, Eunja] Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA.
[Weck, Philippe F.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Johnson, TJ (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,Mail Stop K3-61, Richland, WA 99352 USA.
EM Timothy.Johnson@pnnl.gov
RI Buck, Edgar/N-7820-2013;
OI Buck, Edgar/0000-0001-5101-9084; , Philippe/0000-0002-7610-2893
FU U.S. Department of Energy, National Nuclear Security Administration,
Office of Defense Nuclear Nonproliferation RD [NA-22]; U.S. DOE
[DE-AC05-76RLO1830]; United States Department of Energy's National
Nuclear Security Administration [DE-AC04-94AL85000]
FX The research described in this paper was supported in part by the U.S.
Department of Energy, National Nuclear Security Administration, Office
of Defense Nuclear Nonproliferation R&D (NA-22). PNNL is operated by
Battelle for the U.S. DOE under Contract DE-AC05-76RLO1830. We
gratefully thank our sponsor for their support. Sandia National
Laboratories is a multiprogram laboratory operated by Sandia
Corporation, a wholly owned subsidiary of Lockheed Martin Company, for
the United States Department of Energy's National Nuclear Security
Administration under Contract DE-AC04-94AL85000.
NR 46
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U1 3
U2 12
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1089-5639
J9 J PHYS CHEM A
JI J. Phys. Chem. A
PD OCT 1
PY 2015
VL 119
IS 39
BP 9996
EP 10006
DI 10.1021/acs.jpca.5b06365
PG 11
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA CS9BP
UT WOS:000362384400006
PM 26348875
ER
PT J
AU Nafus, MG
Todd, BD
Buhlmann, KA
Tuberville, TD
AF Nafus, M. G.
Todd, B. D.
Buhlmann, K. A.
Tuberville, T. D.
TI Consequences of maternal effects on offspring size, growth and survival
in the desert tortoise
SO JOURNAL OF ZOOLOGY
LA English
DT Article
DE body size; Gopherus; maternity; offspring quality; Testudines
ID HATCHLING SNAPPING TURTLES; BODY-SIZE; GOPHERUS-AGASSIZII; EGG SIZE;
CHELYDRA-SERPENTINA; CHRYSEMYS-PICTA; INCUBATION-TEMPERATURE;
PHYSIOLOGICAL ECOLOGY; LOCOMOTOR PERFORMANCE; TERRESTRIAL SURVIVAL
AB Maternal body size can have notable consequences on reproductive success. For example, fecundity often increases with body size. Less is known, however, about the relationship between maternal size and factors affecting offspring fitness, including size, growth and survival. Here, we examined the relationship between hatchling and maternal body size in the Mojave Desert tortoise Gopherus agassizii. We further examined the relationships between survival and growth after 1 year and size at hatching. We found that larger females tended to produce larger offspring; post-hatching growth and survival also correlated positively with size at hatching. Our results suggest that, in desert tortoises, maternal body size may indirectly influence offspring fitness via growth and survival for at least the first year of life. Such an advantage early in life may confer long-term benefits for individuals, especially in species thought to have high juvenile mortality or that inhabit highly variable environments.
C1 [Nafus, M. G.; Todd, B. D.] Univ Calif Davis, Dept Wildlife Fish & Conservat Biol, Davis, CA 95616 USA.
[Nafus, M. G.] San Diego Zoo Inst Conservat Res, San Diego Zool Global, Escondido, CA 92027 USA.
[Buhlmann, K. A.; Tuberville, T. D.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC USA.
RP Nafus, MG (reprint author), San Diego Zoo Inst Conservat Res, Appl Anim Ecol, 15600 San Pasqual Valley Rd, Escondido, CA 92027 USA.
EM mnafus@sandiegozoo.org
FU National Science Foundation Graduate Research Fellowship Program
[DGE-1148897]; California Energy Commission [500-10-020]; Department of
Energy [DE-FC09-07SR22506]
FX Earlier versions of this manuscript were improved by EA Eskew, M
Baskett, AP Klimely, and several anonymous reviewers. We especially
thank A Walde and P Woodman for loans of research equipment, J Meyers
for assistance with x-raying and Arcadis and Chevron Energy Inc for
access to pens and research facility. We thank members of the Mojave
National Preserve and National Park Trust for their cooperation and
contribution in conducting this research. All research followed
protocols approved by the Institutional Animal Care and Use Committee
through the University of California, Davis (IACUC # 15997) and
University of Georgia (A2010 04-059-Y3-A0) and with full accordance to
permits provided by US Fish and Wildlife Service (Permit # TE-17838A),
California Department of Fish and Game (Permit # SC-11072) and Mojave
National Preserve (Permit # MOJA-2011-SCI-0023). This material is based
upon work supported by the National Science Foundation Graduate Research
Fellowship Program under Grant No. DGE-1148897,the California Energy
Commission (Agreement #500-10-020) and the Department of Energy under
Award Number DE-FC09-07SR22506 to the University of Georgia Research
Foundation.
NR 59
TC 0
Z9 0
U1 8
U2 34
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0952-8369
EI 1469-7998
J9 J ZOOL
JI J. Zool.
PD OCT
PY 2015
VL 297
IS 2
BP 108
EP 114
DI 10.1111/jzo.12250
PG 7
WC Zoology
SC Zoology
GA CS6WW
UT WOS:000362225100003
ER
PT J
AU Koh, C
Canini, L
Dahari, H
Zhao, XC
Uprichard, SL
Haynes-Williams, V
Winters, MA
Subramanya, G
Cooper, SL
Pinto, P
Wolff, EF
Bishop, R
Han, MAT
Cotler, SJ
Kleiner, DE
Keskin, O
Idilman, R
Yurdaydin, C
Glenn, JS
Heller, T
AF Koh, Christopher
Canini, Laetitia
Dahari, Hare
Zhao, Xiongce
Uprichard, Susan L.
Haynes-Williams, Vanessa
Winters, Mark A.
Subramanya, Gitanjali
Cooper, Stewart L.
Pinto, Peter
Wolff, Erin F.
Bishop, Rachel
Han, Ma Ai Thanda
Cotler, Scott J.
Kleiner, David E.
Keskin, Onur
Idilman, Ramazan
Yurdaydin, Cihan
Glenn, Jeffrey S.
Heller, Theo
TI Oral prenylation inhibition with lonafarnib in chronic hepatitis D
infection: a proof-of-concept randomised, double-blind,
placebo-controlled phase 2A trial
SO LANCET INFECTIOUS DISEASES
LA English
DT Article
ID CHRONIC DELTA-HEPATITIS; MYELODYSPLASTIC SYNDROME; B VIRUS; INTERFERON;
PREVALENCE; LEUKEMIA; EFFICACY; ANTIBODY; CARRIERS; THERAPY
AB Background Therapies for chronic hepatitis delta virus (HDV) infection are unsatisfactory. Prenylation is essential for HDV and inhibition abrogates HDV production in experimental models. In a proof-of-concept study, we aimed to assess the effect on HDV RNA levels, safety, and tolerability of the prenylation inhibitor lonafarnib in patients with chronic delta hepatitis.'
Methods In this phase 2A double-blind, randomised, placebo-controlled study, patients aged 18 years or older with chronic HDV infection were randomly assigned (3:1 in group land 2:1 in group 2) to receive lonafarnib 100 mg (group 1) or lonafarnib 200 mg (group 2) twice daily for 28 days with 6 months' follow-up. Participants were randomised by random-number tables blocked in groups of four without stratification. Both groups enrolled six treatment participants and two placebo participants. Group 1 placebo patients received open-label lonafarnib as group 2 participants. The primary therapeutic endpoint was a decrease in HDV RNA viral titre in serum and the primary safety endpoint was the ability to tolerate the drug at the prescribed dose for the full 4-week duration, defined as drug discontinuation due to intolerance or grade 3/4 adverse events. This trial is registered with ClinicalTrials.gov, number NCT01495585.
Findings Between Jan 19, 2012, and April 28, 2014,14 patients were enrolled, of whom eight were assigned to group 1 and six were assigned to group 2. At day 28, compared with placebo, mean log HDV RNA declines from baseline were 0.73 log IU/mL in group 1 (95% CI 0.17-1.31; p=0.03) and -1.54 log IU/mL in group 2 (1-21-1.93; p<0.0001). Lonafarnib serum concentrations correlated with HDV RNA change (r(2)=0.78, p<0.0001). Model fits show that hepatitis B surface antigen (HBsAg) remained stable after a short pharmacological delay (0.75 days [SE 0.24]), lonafarnib effectiveness in blocking HDV production was greater in group 2 than in group 1 (0.952 [SE 0.06] vs 0.739 [0.05], p<0.001), and the HDV half-life was 1-62 days (0.07). There was no evidence of virological resistance. Adverse events were mainly mild to moderate with group 1 patients experiencing diarrhoea in three patients (50%) and nausea in two patients (33%) and in group 2 with all patients (100%) experiencing nausea, diarrhoea, abdominal bloating, and weight loss greater than 2 kg (mean of 4 kg). No treatment discontinuations occurred in any treatment groups.
Interpretation Treatment of chronic HDV with lonafarnib significantly reduces virus levels. The decline in virus levels significantly correlated with serum drug levels, providing further evidence for the efficacy of prenylation inhibition in chronic HDV.
C1 [Koh, Christopher; Haynes-Williams, Vanessa; Han, Ma Ai Thanda; Heller, Theo] NIDDKD, Translat Hepatol Unit, Liver Dis Branch, NIH, Bethesda, MD 20892 USA.
[Zhao, Xiongce] NIDDKD, Off Director, NIH, Bethesda, MD 20892 USA.
[Canini, Laetitia; Dahari, Hare; Uprichard, Susan L.; Subramanya, Gitanjali; Cotler, Scott J.] Loyola Univ, Med Ctr, Program Expt & Theoret Modeling, Div Hepatol, Maywood, IL 60153 USA.
[Canini, Laetitia] Univ Edinburgh, Ctr Immun Infect & Evolut, Edinburgh, Midlothian, Scotland.
[Dahari, Hare] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM USA.
[Winters, Mark A.; Glenn, Jeffrey S.] Stanford Sch Med, Dept Med, Div Gastroenterol & Hepatol, Stanford, CA USA.
[Winters, Mark A.; Glenn, Jeffrey S.] Stanford Sch Med, Dept Microbiol & Immunol, Stanford, CA USA.
[Cooper, Stewart L.] Calif Pacific Med Ctr, Div Hepatol, San Francisco, CA USA.
[Pinto, Peter] NCI, Urol Oncol Branch, NIH, Bethesda, MD 20892 USA.
[Kleiner, David E.] NCI, Pathol Lab, NIH, Bethesda, MD 20892 USA.
[Wolff, Erin F.] NICHHD, Unit Reprod & Regenerat Med, NIH, Bethesda, MD 20892 USA.
[Bishop, Rachel] NEI, Consult Serv Sect, NIH, Bethesda, MD 20892 USA.
[Keskin, Onur; Idilman, Ramazan; Yurdaydin, Cihan] Ankara Univ, Sch Med, Dept Gastroenterol, TR-06100 Ankara, Turkey.
RP Koh, C (reprint author), NIDDKD, Translat Hepatol Unit, Liver Dis Branch, NIH, Bethesda, MD 20892 USA.
EM Christopher.Koh@nih.gov; TheoH@intra.niddk.nih.gov
FU National Institute of Diabetes and Digestive and Kidney Diseases;
National Cancer Institute, National Institutes of Health; Eiger
Biopharmaceuticals Inc.
FX National Institute of Diabetes and Digestive and Kidney Diseases and
National Cancer Institute, National Institutes of Health, and Eiger
Biopharmaceuticals Inc.
NR 27
TC 23
Z9 23
U1 2
U2 7
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 1473-3099
EI 1474-4457
J9 LANCET INFECT DIS
JI Lancet Infect. Dis.
PD OCT
PY 2015
VL 15
IS 10
BP 1167
EP 1174
DI 10.1016/S1473-3099(15)00074-2
PG 8
WC Infectious Diseases
SC Infectious Diseases
GA CS1UQ
UT WOS:000361854300027
PM 26189433
ER
PT J
AU Khan, SM
Molloy, JE
AF Khan, Shahid M.
Molloy, Justin E.
TI SELF-ORGANIZATION Two's company, three's a crowd
SO NATURE PHYSICS
LA English
DT News Item
ID ACTIN-FILAMENTS; MICROTUBULES; MYOSIN; MOTORS
C1 [Khan, Shahid M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Biol Consortium, Berkeley, CA 94720 USA.
[Molloy, Justin E.] Natl Inst Med Res, Mill Hill Lab, London NW7 1AA, England.
RP Molloy, JE (reprint author), Natl Inst Med Res, Mill Hill Lab, Mill Hill, London NW7 1AA, England.
EM justin.molloy@crick.ac.uk
FU The Francis Crick Institute [10119]
NR 8
TC 0
Z9 0
U1 2
U2 14
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 OCT
PY 2015
VL 11
IS 10
BP 803
EP 804
PG 3
WC Physics, Multidisciplinary
SC Physics
GA CS6KX
UT WOS:000362188600008
ER
PT J
AU Adam, J
Adamova, D
Aggarwal, MM
Rinella, GA
Agnello, M
Agrawal, N
Ahammed, Z
Ahmed, I
Ahn, SU
Aimo, I
Aiola, S
Ajaz, M
Akindinov, A
Alam, SN
Aleksandrov, D
Alessandro, B
Alexandre, D
Molina, RA
Alici, A
Alkin, A
Alme, J
Alt, T
Altinpinar, S
Altsybeev, I
Prado, CAG
Andrei, C
Andronic, A
Anguelov, V
Anielski, J
Anticic, T
Antinori, F
Antonioli, P
Aphecetche, L
Appelshauser, H
Arcelli, S
Armesto, N
Arnaldi, R
Aronsson, T
Arsene, IC
Arslandok, M
Augustinus, A
Averbeck, R
Azmi, MD
Bach, M
Badala, A
Baek, YW
Bagnasco, S
Bailhache, R
Bala, R
Baldisseri, A
Ball, M
Pedrosa, FBDS
Baral, RC
Barbano, AM
Barbera, R
Barile, F
Barnafoldi, GG
Barnby, LS
Barret, V
Bartalini, P
Bartke, J
Bartsch, E
Basile, M
Bastid, N
Basu, S
Bathen, B
Batigne, G
Camejo, AB
Batyunya, B
Batzing, PC
Bearden, IG
Beck, H
Bedda, C
Behera, NK
Belikov, I
Bellini, F
Martinez, HB
Bellwied, R
Belmont, R
Belmont-Moreno, E
Belyaev, V
Bencedi, G
Beole, S
Berceanu, I
Bercuci, A
Berdnikov, Y
Berenyi, D
Bertens, RA
Berzano, D
Betev, L
Bhasin, A
Bhat, IR
Bhati, AK
Bhattacharjee, B
Bhom, J
Bianchi, L
Bianchi, N
Bianchin, C
Bielcik, J
Bielcikova, J
Bilandzic, A
Biswas, S
Bjelogrlic, S
Blanco, F
Blau, D
Blume, C
Bock, F
Bogdanov, A
Boggild, H
Boldizsar, L
Bombara, M
Book, J
Borel, H
Borissov, A
Borri, M
Bossu, F
Botje, M
Botta, E
Bottger, S
Braun-Munzinger, P
Bregant, M
Breitner, T
Broker, TA
Browning, TA
Broz, M
Brucken, EJ
Bruna, E
Bruno, GE
Budnikov, D
Buesching, H
Bufalino, S
Buncic, P
Busch, O
Buthelezi, Z
Buxton, JT
Caffarri, D
Cai, X
Caines, H
Diaz, LC
Caliva, A
Villar, EC
Camerini, P
Carena, F
Carena, W
Castellanos, JC
Castro, AJ
Casula, EAR
Cavicchioli, C
Sanchez, CC
Cepila, J
Cerello, P
Chang, B
Chapeland, S
Chartier, M
Charvet, JL
Chattopadhyay, S
Chattopadhyay, S
Chelnokov, V
Cherney, M
Cheshkov, C
Cheynis, B
Barroso, VC
Chinellato, DD
Chochula, P
Choi, K
Chojnacki, M
Choudhury, S
Christakoglou, P
Christensen, CH
Christiansen, P
Chujo, T
Chung, SU
Cicalo, C
Cifarelli, L
Cindolo, F
Cleymans, J
Colamaria, F
Colella, D
Collu, A
Colocci, M
Balbastre, GC
del Valle, ZC
Connors, ME
Contreras, JG
Cormier, TM
Morales, YC
Maldonado, IC
Cortese, P
Cosentino, MR
Costa, F
Crochet, P
Albino, RC
Cuautle, E
Cunqueiro, L
Dahms, T
Dainese, A
Danu, A
Das, D
Das, I
Das, S
Dash, A
Dash, S
De, S
De Caro, A
de Cataldo, G
de Cuveland, J
De Falco, A
De Gruttola, D
De Marco, N
De Pasquale, S
Deisting, A
Deloff, A
Denes, E
D'Erasmo, G
Di Bari, D
Di Mauro, A
Di Nezza, P
Corchero, MAD
Dietel, T
Dillenseger, P
Divia, R
Djuvsland, O
Dobrin, A
Dobrowolski, T
Gimenez, DD
Donigus, B
Dordic, O
Dubey, AK
Dubla, A
Ducroux, L
Dupieux, P
Ehlers, RJ
Elia, D
Engel, H
Erazmus, B
Erhardt, F
Eschweiler, D
Espagnon, B
Estienne, M
Esumi, S
Evans, D
Evdokimov, S
Eyyubova, G
Fabbietti, L
Fabris, D
Faivre, J
Fantoni, A
Fasel, M
Feldkamp, L
Felea, D
Feliciello, A
Feofilov, G
Ferencei, J
Tellez, AF
Ferreiro, EG
Ferretti, A
Festanti, A
Figiel, J
Figueredo, MAS
Filchagin, S
Finogeev, D
Fionda, FM
Fiore, EM
Fleck, MG
Floris, M
Foertsch, S
Foka, P
Fokin, S
Fragiacomo, E
Francescon, A
Frankenfeld, U
Fuchs, U
Furget, C
Furs, A
Girard, MF
Gaardhoje, JJ
Gagliardi, M
Gago, AM
Gallio, M
Gangadharan, DR
Ganoti, P
Gao, C
Garabatos, C
Garcia-Solis, E
Gargiulo, C
Gasik, P
Germain, M
Gheata, A
Gheata, M
Ghosh, P
Ghosh, SK
Gianotti, P
Giubellino, P
Giubilato, P
Gladysz-Dziadus, E
Glassel, P
Coral, DMG
Ramirez, AG
Gonzalez-Zamora, P
Gorbunov, S
Gorlich, L
Gotovac, S
Grabski, V
Graczykowski, LK
Grelli, A
Grigoras, A
Grigoras, C
Grigoriev, V
Grigoryan, A
Grigoryan, S
Grinyov, B
Grion, N
Grosse-Oetringhaus, JF
Grossiord, JY
Grosso, R
Grigoryan, A
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CA ALICE Collaboration
TI Precision measurement of the mass difference between light nuclei and
anti-nuclei
SO NATURE PHYSICS
LA English
DT Article
ID SPECTROSCOPY; ANTIHYDROGEN; ANTIPROTON; ELECTRON
AB The measurement of the mass differences for systems bound by the strong force has reached a very high precision with protons and anti-protons(1,2). The extension of such measurement from (anti-)baryons to (anti-) nuclei allows one to probe any difference in the interactions between nucleons and anti-nucleons encoded in the (anti-) nuclei masses. This force is a remnant of the underlying strong interaction among quarks and gluons and can be described by effective theories(3), but cannot yet be directly derived from quantum chromodynamics. Here we report a measurement of the difference between the ratios of the mass and charge of deuterons (d) and anti-deuterons ((d) over bar), and He-3 and (3)(He) over bar nuclei carried out with the ALICE (A Large Ion Collider Experiment)(4) detector in Pb-Pb collisions at a centre-of-mass energy per nucleon pair of 2.76 TeV. Our direct measurement of the mass-over-charge differences confirms CPT invariance to an unprecedented precision in the sector of light nuclei(5,6). This fundamental symmetry of nature, which exchanges particles with anti-particles, implies that all physics laws are the same under the simultaneous reversal of charge(s) (charge conjugation C), reflection of spatial coordinates (parity transformation P) and time inversion (T).
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[Contreras, J. G.; Cruz Albino, R.; Herrera Corral, G.; Montano Zetina, L.; Rodriguez Cahuantzi, M.] CINVESTAV, Ctr Invest & Estudios Avanzados, Mexico City 14000, DF, Mexico.
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[Garcia-Solis, E.; Harton, A.] Chicago State Univ, Chicago, IL USA.
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[Ahmed, I.; Ajaz, M.; Khan, K. H.; Naru, M. U.; Suleymanov, M.; Zaman, A.] COMSATS Inst Informat Technol, Islamabad, Pakistan.
[Armesto, N.; Ferreiro, E. G.; Pajares, C.; Salgado, C. A.] Univ Santiago de Compostela, Dept Fis Particulas, Santiago De Compostela, Spain.
[Armesto, N.; Ferreiro, E. G.; Pajares, C.; Salgado, C. A.] Univ Santiago de Compostela, IGFAE, Santiago De Compostela, Spain.
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[Casula, E. A. R.; Cicalo, C.; Collu, A.; De Falco, A.; Masoni, A.; Puddu, G.; Razazi, V.; Siddhanta, S.; Terrevoli, C.; Usai, G. L.] Sezione Ist Nazl Fis Nucl, Cagliari, Italy.
[Camerini, P.; Lea, R.; Luparello, G.; Margagliotti, G. V.; Rui, R.] Univ Trieste, Dipartimento Fis, Trieste, Italy.
[Camerini, P.; Fragiacomo, E.; Grion, N.; Lea, R.; Luparello, G.; Margagliotti, G. V.; Piano, S.; Rachevski, A.; Rui, R.] Sezione Ist Nazl Fis Nucl, Trieste, Italy.
[Beole, S.; Berzano, D.; Bianchi, L.; Botta, E.; Morales, Y. Corrales; Ferretti, A.; Gagliardi, M.; Gallio, M.; Lattuca, A.; Leoncino, M.; Marchisone, M.; Masera, M.; Russo, R.; Shtejer, K.; Vallero, S.; Vercellin, E.] Univ Turin, Dipartimento Fis, Turin, Italy.
[Agnello, M.; Aimo, I.; Alessandro, B.; Arnaldi, R.; Bagnasco, S.; Barbano, A. M.; Bedda, C.; Beole, S.; Berzano, D.; Bianchi, L.; Botta, E.; Bruna, E.; Bufalino, S.; Cerello, P.; Morales, Y. Corrales; De Marco, N.; Feliciello, A.; Ferretti, A.; Gagliardi, M.; Gallio, M.; La Pointe, S. L.; Lattuca, A.; Leoncino, M.; Manceau, L.; Marchisone, M.; Masera, M.; Oppedisano, C.; Prino, F.; Puccio, M.; Rivetti, A.; Russo, R.; Scomparin, E.; Shtejer, K.; Trogolo, S.; Vallero, S.; Vercellin, E.] Sezione Ist Nazl Fis Nucl, Turin, Italy.
[Arcelli, S.; Basile, M.; Bellini, F.; Cifarelli, L.; Colocci, M.; Guerzoni, B.; Scioli, G.; Zichichi, A.] Univ Bologna, Dipartimento Fis & Astron, Bologna, Italy.
[Alici, A.; Antonioli, P.; Arcelli, S.; Basile, M.; Bellini, F.; Cifarelli, L.; Cindolo, F.; Colocci, M.; Guerzoni, B.; Hatzifotiadou, D.; Margotti, A.; Nania, R.; Noferini, F.; Pinazza, O.; Preghenella, R.; Scapparone, E.; Scioli, G.; Williams, M. C. S.; Zampolli, C.; Zichichi, A.] Sezione Ist Nazl Fis Nucl, Bologna, Italy.
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[Cortese, P.; Ramello, L.; Sitta, M.] Univ Piemonte Orientale, Dipartimento Sci & Innovaz Tecnol, Alessandria, Italy.
[Barile, F.; Bruno, G. E.; Colamaria, F.; Colella, D.; D'Erasmo, G.; Di Bari, D.; Fiore, E. M.; Mastroserio, A.; Tangaro, M. A.] Ist Nazl Fis Nucl, Grp Collegato, Alessandria, Italy.
[Barile, F.; Bruno, G. E.; Colamaria, F.; Colella, D.; D'Erasmo, G.; Di Bari, D.; Fiore, E. M.; Mastroserio, A.; Tangaro, M. A.] Dipartimento Interateneo Fis M Merlin, Bari, Italy.
[Barile, F.; Bruno, G. E.; Colamaria, F.; Colella, D.; de Cataldo, G.; D'Erasmo, G.; Di Bari, D.; Elia, D.; Fionda, F. M.; Fiore, E. M.; Lenti, V.; Manzari, V.; Mastroserio, A.; Minervini, L. M.; Nappi, E.; Paticchio, V.; Tangaro, M. A.] Sezione Ist Nazl Fis Nucl, Bari, Italy.
[Christiansen, P.; Ljunggren, H. M.; Oskarsson, A.; Richert, T.; Silvermyr, D.; Sogaard, C.; Stenlund, E.; Vislavicius, V.] Lund Univ, Div Expt High Energy Phys, Lund, Sweden.
[Hess, B. A.; Schmidt, H. R.; Wiechula, J.] Univ Tubingen, Tubingen, Germany.
[Rinella, G. Aglieri; Augustinus, A.; Pedrosa, F. Baltasar Dos Santos; Berzano, D.; Betev, L.; Bufalino, S.; Buncic, P.; Caffarri, D.; Carena, F.; Carena, W.; Cavicchioli, C.; Chapeland, S.; Barroso, V. Chibante; Chochula, P.; Costa, F.; Cunqueiro, L.; Di Mauro, A.; Divia, R.; Erazmus, B.; Floris, M.; Francescon, A.; Fuchs, U.; Gargiulo, C.; Gheata, A.; Gheata, M.; Giubellino, P.; Grigoras, A.; Grigoras, C.; Grosse-Oetringhaus, J. F.; Grosso, R.; Hillemanns, H.; Hristov, P.; Ionita, C.; Kalweit, A.; Keil, M.; Kluge, A.; Kofarago, M.; Kouzinopoulos, C.; Kowalski, M.; Kryshen, E.; Kugathasan, T.; Lakomov, I.; Laudi, E.; Legrand, I.; Mager, M.; Manzari, V.; Martinengo, P.; Pedreira, M. Martinez; Milano, L.; Morsch, A.; Mueller, H.; Musa, L.; Niculescu, M.; Niedziela, J.; Ohlson, A.; Pinazza, O.; Preghenella, R.; Reidt, F.; Riedler, P.; Riegler, W.; Rossi, A.; Safarik, K.; Schukraft, J.; Schutz, Y.; Shahoyan, R.; Sielewicz, K. M.; Simonetti, G.; Szczepankiewicz, A.; Tauro, A.; Telesca, A.; Van Hoorne, J. W.; Vande Vyvre, P.; Volpe, G.; von Haller, B.; Vranic, D.; Weber, M.; Zimmermann, M. B.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland.
[Dahms, T.; Fabbietti, L.; Gasik, P.; Vorobyev, I.] Tech Univ Munich, Excellence Cluster Univ, D-80290 Munich, Germany.
[Alme, J.; Helstrup, H.; Hetland, K. F.; Kileng, B.] Bergen Univ Coll, Fac Engn, Bergen, Norway.
[Meres, M.; Pikna, M.; Sitar, B.; Strmen, P.; Szabo, A.; Szarka, I.] Comenius Univ, Fac Math Phys & Informat, Bratislava, Slovakia.
[Adam, J.; Bielcik, J.; Broz, M.; Cepila, J.; Contreras, J. G.; Eyyubova, G.; Krelina, M.; Petracek, V.; Schulc, M.; Spacek, M.] Czech Tech Univ, Fac Nucl Sci & Phys Engn, CR-11519 Prague, Czech Republic.
[Bombara, M.; Kravcakova, A.; Vrlakova, J.] Safarik Univ, Fac Sci, Kosice, Slovakia.
[Langoy, R.; Lien, J.] Buskerud & Vestfold Univ Coll, Fac Technol, Vestfold, Norway.
[Alt, T.; Bach, M.; de Cuveland, J.; Eschweiler, D.; Gorbunov, S.; Hartmann, H.; Hutter, D.; Kirsch, S.; Kisel, I.; Kollegger, T.; Kretz, M.; Krzewicki, M.; Kulakov, I.; Lindenstruth, V.; Rettig, F.; Rohr, D.; Zyzak, M.] Goethe Univ Frankfurt, Frankfurt Inst Adv Studies, D-60054 Frankfurt, Germany.
[Baek, Y. W.; Jung, H.; Kim, D. W.; Kim, J. S.; Kim, Mimae] Gangneung Wonju Natl Univ, Kangnung, South Korea.
[Bhattacharjee, B.; Hussain, N.] Gauhati Univ, Dept Phys, Gauhati, India.
[Brucken, E. J.; Hilden, T. E.; Mieskolainen, M. M.; Rasanen, S. S.] Helsinki Inst Phys, Helsinki, Finland.
[Okubo, T.; Shigaki, K.; Sugitate, T.; Yano, S.] Hiroshima Univ, Hiroshima, Japan.
[Agrawal, N.; Behera, N. K.; Dash, S.; Meethaleveedu, G. Koyithatta; Kumar, J.; Nandi, B. K.; Pandey, A. K.; Pant, D.; Varma, R.] Indian Inst Technol, Bombay 400076, Maharashtra, India.
[Behera, N. K.; Mishra, A. N.; Pareek, P.; Roy, A.; Sahoo, P.; Sahoo, R.] Indian Inst Technol Indore, Indore, Madhya Pradesh, India.
[Kweon, M. J.] Inha Univ, Inchon, South Korea.
[del Valle, Z. Conesa; Das, I.; Espagnon, B.; Hadjidakis, C.; Lakomov, I.; Suire, C.; Takaki, J. D. Tapia] Univ Paris 11, CNRS, IN2P3, Inst Phys Nucl Orsay, F-91405 Orsay, France.
[Boettger, S.; Breitner, T.; Engel, H.; Ramirez, A. Gomez; Kebschull, U.; Lara, C.] Goethe Univ Frankfurt, Inst Informat, D-60054 Frankfurt, Germany.
[Appelshaeuser, H.; Arslandok, M.; Bailhache, R.; Bartsch, E.; Beck, H.; Blume, C.; Book, J.; Broker, T. A.; Buesching, H.; Dillenseger, P.; Doenigus, B.; Heckel, S. T.; Kamin, J.; Klein, C.; Lehnert, J.; Luettig, P.; Marquard, M.; Ozdemir, M.; Peskov, V.; Rascanu, B. T.; Reichelt, P.; Renfordt, R.; Sahlmuller, B.; Schuchmann, S.; Peloni, A. Tarantola; Toia, A.] Goethe Univ Frankfurt, Inst Kernphys, Frankfurt, Germany.
[Anielski, J.; Bathen, B.; Feldkamp, L.; Haake, R.; Heide, M.; Klein-Boesing, C.; Muehlheim, D.; Passfeld, A.; Wessels, J. P.; Westerhoff, U.; Wilde, M.; Zimmermann, M. B.] Univ Munster, Inst Kernphys, D-48149 Munster, Germany.
[Belikov, I.; Hippolyte, B.; Kuhn, C.; Maire, A.; Molnar, L.; Roy, C.; Castro, X. Sanchez] Univ Strasbourg, CNRS, IN2P3, Inst Pluridisciplinaire Hubert Curien, Strasbourg, France.
[Finogeev, D.; Furs, A.; Guber, F.; Karavichev, O.; Karavicheva, T.; Karpechev, E.; Konevskikh, A.; Kurepin, A.; Kurepin, A. B.; Maevskaya, A.; Pshenichnov, I.; Reshetin, A.; Shabanov, A.] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia.
[Bertens, R. A.; Bianchin, C.; Bjelogrlic, S.; Caliva, A.; Dobrin, A.; Dubla, A.; Grelli, A.; Keijdener, D. L. D.; Leogrande, E.; Lodato, D. F.; Luparello, G.; Margutti, J.; Mischke, A.; Mohammadi, N.; Nooren, G.; Peitzmann, T.; Reicher, M.; Rocco, E.; Snellings, R. J. M.; Thomas, D.; Van der Maarel, J.; van Leeuwen, M.; Veen, A. M.; Veldhoen, M.; Wang, H.; Yang, H.; Zhou, Y.] Univ Utrecht, Inst Subat Phys, Utrecht, Netherlands.
[Akindinov, A.; Kiselev, S.; Mal'Kevich, D.; Mikhaylov, K.; Nedosekin, A.; Sultanov, R.; Voloshin, K.; Zhigareva, N.] Inst Theoret & Expt Phys, Moscow 117259, Russia.
[Kalinak, P.; Kralik, I.; Krivda, M.; Musinsky, J.; Sandor, L.; Vala, M.] Slovak Acad Sci, Inst Expt Phys, Kosice 04353, Slovakia.
[Mares, J.; Zavada, P.] Acad Sci Czech Republic, Inst Phys, Prague, Czech Republic.
[Baral, R. C.; Sahoo, S.; Sahu, P. K.; Sharma, N.] Inst Phys, Bhubaneswar 751007, Orissa, India.
[Danu, A.; Felea, D.; Gheata, M.; Haiduc, M.; Mitu, C. M.; Niculescu, M.; Ristea, C.; Sevcenco, A.; Stan, I.; Zgura, I. S.] Inst Space Sci, Bucharest, Romania.
[Cuautle, E.; Jimenez Bustamante, R. T.; Maldonado Cervantes, I.; Nellen, L.; Ortiz Velasquez, A.; Paic, G.] Univ Nacl Autonoma Mexico, Inst Ciencias Nucl, Mexico City 04510, DF, Mexico.
[Alfaro Molina, R.; Belmont-Moreno, E.; Gomez Coral, D. M.; Grabski, V.; Menchaca-Rocha, A.; Sandoval, A.; Serradilla, E.] Univ Nacl Autonoma Mexico, Inst Fis, Mexico City 01000, DF, Mexico.
[Bossu, F.; Buthelezi, Z.; Foertsch, S.; Murray, S.; Senosi, K.; Steyn, G.] Natl Res Fdn, iThemba LABS, Somerset West, South Africa.
[Batyunya, B.; Grigoryan, A.; Malinina, L.; Mikhaylov, K.; Nomokonov, P.; Rogochaya, E.; Vodopyanov, A.; Zaporozhets, S.] Joint Inst Nucl Res, Dubna, Russia.
[Oh, S. K.; Seo, J.] Konkuk Univ, Seoul, South Korea.
[Ahn, S. U.; Jang, H. J.; Kim, D. W.] Korea Inst Sci & Technol Informat, Taejon, South Korea.
[Uysal, A. Karasu; Okatan, A.] KTO Karatay Univ, Konya, Turkey.
[Barret, V.; Bastid, N.; Camejo, A. Batista; Crochet, P.; Dupieux, P.; Li, S.; Lopez, X.; Manso, F.; Porteboeuf-Houssais, S.; Rosnet, P.; Palomo, L. Valencia; Vulpescu, B.] Univ Clermont Ferrand, Univ Blaise Pascal, CNRS, Phys Corpusculaire Lab,IN2P3, Clermont Ferrand, France.
[Balbastre, G. Conesa; Faivre, J.; Furget, C.; Guernane, R.; Kox, S.; Real, J. S.; Silvestre, C.; Vauthier, A.] Univ Grenoble Alpes, CNRS, IN2P3, Lab Phys Subat & Cosmol, Grenoble, France.
[Bianchi, N.; Diaz, L. Calero; Di Nezza, P.; Fantoni, A.; Gianotti, P.; Muccifora, V.; Reolon, A. R.; Ronchetti, F.; Sakai, S.; Spiriti, E.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy.
[Ricci, R. A.; Venaruzzo, M.] Ist Nazl Fis Nucl, Lab Nazl Legnaro, I-35020 Legnaro, Italy.
[Bock, F.; Fasel, M.; Gangadharan, D. R.; Jacobs, P. M.; Loizides, C.; Ploskon, M.; Porter, J.; Symons, T. J. M.; Thaeder, J.; Zhang, X.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Soltz, R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Belyaev, V.; Bogdanov, A.; Grigoriev, V.; Ippolitov, M.; Kaplin, V.; Kondratyeva, N.; Loginov, V.; Peresunko, D.] Moscow Engn Phys Inst, Moscow 115409, Russia.
[Deloff, A.; Dobrowolski, T.; Ilkiv, I.; Kurashvili, P.; Redlich, K.; Siemiarczuk, T.; Stefanek, G.; Wilk, G.] Natl Ctr Nucl Studies, Warsaw, Poland.
[Andrei, C.; Berceanu, I.; Bercuci, A.; Herghelegiu, A.; Petrovici, M.; Pop, A.; Schiaua, C.; Tarzila, M. G.] Natl Inst Phys & Nucl Engn, Bucharest, Romania.
[Biswas, S.; Kumar, L.; Mohanty, B.; Nayak, K.; Singh, R.; Singha, S.] Natl Inst Sci Educ & Res, Bhubaneswar, Orissa, India.
[Bearden, I. G.; Bilandzic, A.; Boggild, H.; Chojnacki, M.; Christensen, C. H.; Gaardhoje, J. J.; Gulbrandsen, K.; Hansen, A.; Nielsen, B. S.; Zaccolo, V.; Zhou, Y.] Univ Copenhagen, Niels Bohr Inst, DK-2100 Copenhagen, Denmark.
[Botje, M.; Christakoglou, P.; Dobrin, A.; Kuijer, P. G.; Lara, C. E. Perez; Manso, A. Rodriguez] Nikhef, Natl Inst Subatomaire Fys, Amsterdam, Netherlands.
[Borri, M.; Lemmon, R. C.] STFC Daresbury Lab, Nucl Phys Grp, Daresbury, England.
[Adamova, D.; Bielcikova, J.; Ferencei, J.; Krizek, F.; Kucera, V.; Kushpil, S.; Pospisil, J.; Sumbera, M.; Vajzer, M.; Vanat, T.] Acad Sci Czech Republic, Inst Nucl Phys, CZ-25068 Rez, Czech Republic.
[Adamova, D.; Bielcikova, J.; Ferencei, J.; Krizek, F.; Kucera, V.; Kushpil, S.; Pospisil, J.; Sumbera, M.; Vajzer, M.; Vanat, T.] Acad Sci Czech Republic, Inst Nucl Phys, Prague, Czech Republic.
[Cormier, T. M.; Silvermyr, D.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Berdnikov, Y.; Ivanov, V.; Khanzadeev, A.; Malaev, M.; Nikulin, V.; Riabov, V.; Ryabov, Y.; Samsonov, V.; Zhalov, M.] Petersburg Nucl Phys Inst, Gatchina, Russia.
[Cherney, M.; Poghosyan, M. G.; Seger, J. E.] Creighton Univ, Dept Phys, Omaha, NE 68178 USA.
[Aggarwal, M. M.; Bhati, A. K.; Kumar, L.; Parmar, S.; Rathee, D.] Panjab Univ, Dept Phys, Chandigarh 160014, India.
[Ganoti, P.; Roukoutakis, F.; Spyropoulou-Stassinaki, M.; Vasileiou, M.] Univ Athens, Dept Phys, Athens, Greece.
[Cleymans, J.; Dietel, T.] Univ Cape Town, Dept Phys, ZA-7925 Cape Town, South Africa.
[Bala, R.; Bhasin, A.; Bhat, I. R.; Gupta, A.; Gupta, R.; Kour, M.; Kumar, A.; Mahajan, S.; Rajput, S.; Sambyal, S.; Sharma, A.; Sharma, M.; Singh, R.] Univ Jammu, Dept Phys, Jammu 180004, India.
[Raniwala, R.; Raniwala, S.] Univ Rajasthan, Dept Phys, Jaipur 302004, Rajasthan, India.
[Ball, M.; Dahms, T.; Fabbietti, L.; Gasik, P.; Vorobyev, I.] Tech Univ Munich, Dept Phys, D-80290 Munich, Germany.
[Anguelov, V.; Bock, F.; Busch, O.; Deisting, A.; Fleck, M. G.; Glaessel, P.; Klein, J.; Knichel, M. L.; Leardini, L.; Lu, X. -G.; Perez, J. Mercado; Oeschler, H.; Oyama, K.; Pachmayer, Y.; Reidt, F.; Reygers, K.; Schicker, R.; Stachel, J.; Stiller, J. H.; Voelkl, M. A.; Wang, Y.; Wilkinson, J.; Windelband, B.; Winn, M.; Zimmermann, A.] Heidelberg Univ, Inst Phys, Heidelberg, Germany.
[Aimo, I.] Politecn Torino, Turin, Italy.
[Browning, T. A.; Scharenberg, R. P.; Srivastava, B. K.] Purdue Univ, W Lafayette, IN 47907 USA.
[Borissov, A.; Choi, K.; Chung, S. U.; Seo, J.; Song, J.; Yoo, I. -K.] Pusan Natl Univ, Pusan 609735, South Korea.
[Andronic, A.; Averbeck, R.; Braun-Munzinger, P.; Deisting, A.; Foka, P.; Frankenfeld, U.; Garabatos, C.; Ivanov, M.; Koehler, M. K.; Kollegger, T.; Krzewicki, M.; Lippmann, C.; Malzacher, P.; Marin, A.; Martin, N. A.; Masciocchi, S.; Miskowiec, D.; Nicassio, M.; Onderwaater, J.; Otwinowski, J.; Park, W. J.; Schmidt, C.; Schwarz, K.; Schweda, K.; Selyuzhenkov, I.; Thaeder, J.; Vranic, D.; Wagner, J.; Weber, S. G.] GSI Helmholtzzentrum Schwerionenforsch, Div Res, Darmstadt, Germany.
[Andronic, A.; Averbeck, R.; Braun-Munzinger, P.; Deisting, A.; Foka, P.; Frankenfeld, U.; Garabatos, C.; Ivanov, M.; Koehler, M. K.; Kollegger, T.; Krzewicki, M.; Lippmann, C.; Malzacher, P.; Marin, A.; Martin, N. A.; Masciocchi, S.; Miskowiec, D.; Nicassio, M.; Onderwaater, J.; Otwinowski, J.; Park, W. J.; Schmidt, C.; Schwarz, K.; Schweda, K.; Selyuzhenkov, I.; Thaeder, J.; Vranic, D.; Wagner, J.; Weber, S. G.] GSI Helmholtzzentrum Schwerionenforsch, ExtreMe Matter Inst EMMI, Darmstadt, Germany.
[Anticic, T.] Rudjer Boskovic Inst, Zagreb, Croatia.
[Budnikov, D.; Filchagin, S.; Ilkaev, R.; Kuryakin, A.; Mamonov, A.; Nazarenko, S.; Punin, V.; Tumkin, A.; Vinogradov, Y.; Vyushin, A.; Zaviyalov, N.] Russian Fed Nucl Ctr VNIIEF, Sarov, Russia.
[Aleksandrov, D.; Blau, D.; Fokin, S.; Ippolitov, M.; Kucheriaev, Y.; Manko, V.; Nikolaev, S.; Nikulin, S.; Nyanin, A.; Peresunko, D.; Ryabinkin, E.; Sibiriak, Y.; Vasiliev, A.; Vinogradov, A.; Yasnopolskiy, S.; Yushmanov, I.] Russian Res Ctr, Kurchatov Inst, Moscow, Russia.
[Chattopadhyay, Sukalyan; Das, D.; Das, I.; Khan, P.; Paul, B.; Roy, P.; Sinha, T.] Saha Inst Nucl Phys, Kolkata, India.
[Alexandre, D.; Barnby, L. S.; Evans, D.; Hanratty, L. D.; Jones, P. G.; Jusko, A.; Krivda, M.; Lee, G. R.; Lietava, R.; Baillie, O. Villalobos] Univ Birmingham, Sch Phys & Astron, Birmingham, W Midlands, England.
[Villar, E. Calvo; Gago, A. M.] Pontificia Univ Catolica Peru, Dept Ciencias, Sec Fis, Lima, Peru.
[Evdokimov, S.; Izucheev, V.; Kharlov, Y.; Kondratyuk, E.; Petrov, V.; Polichtchouk, B.; Sadovsky, S.; Shangaraev, A.] NRC Kurchatov Inst, SSC IHEP, Protvino, Russia.
[Aphecetche, L.; Batigne, G.; Erazmus, B.; Estienne, M.; Germain, M.; Blanco, J. Martin; Garcia, G. Martinez; Massacrier, L.; De Godoy, D. A. Moreira; Morreale, A.; Pillot, P.; Ronflette, L.; Schutz, Y.; Shabetai, A.; Stocco, D.; Wang, M.; Zhu, J.] Univ Nantes, CNRS, IN2P3, Ecole Mines Nantes,SUBATECH, Nantes, France.
[Kobdaj, C.; Poonsawat, W.] Suranaree Univ Technol, Nakhon Ratchasima, Thailand.
[Gotovac, S.; Mudnic, E.; Vickovic, L.] Tech Univ Split FESB, Split, Croatia.
[Bartke, J.; Figiel, J.; Gladysz-Dziadus, E.; Goerlich, L.; Kowalski, M.; Matyja, A.; Mayer, C.; Otwinowski, J.; Rybicki, A.; Sputowska, I.] Polish Acad Sci, Henryk Niewodniczanski Inst Nucl Phys, Krakow, Poland.
[Knospe, A. G.; Markert, C.; Thomas, D.] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA.
[Leon Monzon, I.; Podesta-Lerma, P. L. M.] Univ Autonoma Sinaloa, Culiacan, Mexico.
[Alves Garcia Prado, C.; Bregant, M.; Cosentino, M. R.; Domenicis Gimenez, D.; Jahnke, C.; Lagana Fernandes, C.; Mas, A.; Munhoz, M. G.; Oliveira Da Silva, A. C.; Pereira De Oliveira Filho, E.; Seeder, K. S.; Suaide, A. A. P.; Szanto de Toledo, A.; Zanoli, H. J. C.] Univ Sao Paulo, Sao Paulo, Brazil.
[Chinellato, D. D.; Dash, A.; Takahashi, J.] Univ Estadual Campinas, UNICAMP, Campinas, Brazil.
[Bellwied, R.; Bianchi, L.; Jayarathna, P. H. S. Y.; Jena, S.; Mcdonald, D.; Ng, F.; Pinsky, L.; Piyarathna, D. B.; Timmins, A. R.; Weber, M.] Univ Houston, Houston, TX USA.
[Chang, B.; Kim, D. J.; Kral, J.; Rak, J.; Slupecki, M.; Snellman, T. W.; Trzaska, W. H.; Vargyas, M.; Viinikainen, J.] Univ Jyvaskyla, Jyvaskyla, Finland.
[Chartier, M.; Figueredo, M. A. S.; Norman, J.; Romita, R.] Univ Liverpool, Liverpool L69 3BX, Merseyside, England.
[Castro, A. J.; Martashvili, I.; Mazer, J.; Nattrass, C.; Read, K. F.; Scott, R.; Sharma, N.; Sorensen, S.] Univ Tennessee, Knoxville, TN USA.
[Vilakazi, Z.] Univ Witwatersrand, Johannesburg, South Africa.
[Gunji, T.; Hamagaki, H.; Hayashi, S.; Sekiguchi, Y.; Terasaki, K.; Tsuji, T.; Yamaguchi, Y.] Univ Tokyo, Tokyo, Japan.
[Bhom, J.; Chujo, T.; Esumi, S.; Inaba, M.; Kobayashi, T.; Miake, Y.; Sano, M.; Tanaka, N.; Watanabe, D.; Yokoyama, H.] Univ Tsukuba, Tsukuba, Ibaraki, Japan.
[Erhardt, F.; Planinic, M.; Poljak, N.; Simatovic, G.; Utrobicic, A.] Univ Zagreb, Zagreb 41000, Croatia.
[Cheshkov, C.; Cheynis, B.; Ducroux, L.; Grossiord, J. -Y.; Teyssier, B.; Tieulent, R.; Uras, A.] Univ Lyon 1, CNRS, IN2P3, IPN Lyon, F-69622 Villeurbanne, France.
[Altsybeev, I.; Feofilov, G.; Kolojvari, A.; Kondratiev, V.; Kovalenko, V.; Vechernin, V.; Vinogradov, L.; Zarochentsev, A.] St Petersburg State Univ, V Fock Inst Phys, St Petersburg 199034, Russia.
[Ahammed, Z.; Alam, S. N.; Basu, S.; Chattopadhyay, Subhasis; Choudhury, S.; De, S.; Dubey, A. K.; Ghosh, P.; Kar, S.; Khan, S. A.; Mitra, J.; Mohanty, B.; Muhuri, S.; Mukherjee, M.; Nayak, T. K.; Pal, S. K.; Saini, J.; Sarkar, D.; Singaraju, R.; Singha, S.; Singhal, V.; Sinha, B. C.; Viyogi, Y. P.] Ctr Variable Energy Cyclotron, Kolkata, India.
[Graczykowski, L. K.; Janik, M. A.; Kisiel, A.; Oleniacz, J.; Pawlak, T.; Pluta, J.; Szymanski, M.; Zaborowska, A.; Zbroszczyk, H.] Warsaw Univ Technol, Warsaw, Poland.
[Belmont, R.; Bianchin, C.; Loggins, V. R.; Pan, J.; Pruneau, C. A.; Pujahari, P.; Putschke, J.; Reed, R. J.; Saleh, M. A.; Verweij, M.; Voloshin, S. A.; Yaldo, C. G.] Wayne State Univ, Detroit, MI USA.
[Barnafoeldi, G. G.; Bencedi, G.; Berenyi, D.; Boldizsar, L.; Denes, E.; Hamar, G.; Kiss, G.; Levai, P.; Lowe, A.; Olah, L.; Pochybova, S.; Varga, D.; Volpe, G.] Hungarian Acad Sci, Wigner Res Ctr Phys, Budapest, Hungary.
[Aiola, S.; Aronsson, T.; Caines, H.; Connors, M. E.; Ehlers, R. J.; Harris, J. W.; Majka, R. D.; Mulligan, J. D.; Oh, S.; Oliver, M. H.; Schuster, T.; Smirnov, N.] Yale Univ, New Haven, CT USA.
[Kang, J. H.; Kim, B.; Kim, H.; Kim, Minwoo; Kim, T.; Kwon, Y.; Lee, S.; Song, M.] Yonsei Univ, Seoul 120749, South Korea.
[Keidel, R.] Fachhsch Worms, Zentrum Technol Transfer & Telekommun, Worms, Germany.
RP Adam, J (reprint author), Czech Tech Univ, Fac Nucl Sci & Phys Engn, CR-11519 Prague, Czech Republic.
RI Barnby, Lee/G-2135-2010; feofilov, grigory/A-2549-2013; Ferencei,
Jozef/H-1308-2014; Adamova, Dagmar/G-9789-2014; Christensen,
Christian/D-6461-2012; De Pasquale, Salvatore/B-9165-2008; Chinellato,
David/D-3092-2012; Felea, Daniel/C-1885-2012; de Cuveland,
Jan/H-6454-2016; Kurepin, Alexey/H-4852-2013; Jena, Deepika/P-2873-2015;
Jena, Satyajit/P-2409-2015; Naru, Muhammad Umair/N-5547-2015;
Zarochentsev, Andrey/J-6253-2013; Graczykowski, Lukasz/O-7522-2015;
Janik, Malgorzata/O-7520-2015; Bregant, Marco/I-7663-2012; Pshenichnov,
Igor/A-4063-2008; Sevcenco, Adrian/C-1832-2012; Altsybeev,
Igor/K-6687-2013; Vinogradov, Leonid/K-3047-2013; Kondratiev,
Valery/J-8574-2013; Vechernin, Vladimir/J-5832-2013; Nielsen, Borge
S/C-3719-2015; Ferreiro, Elena/C-3797-2017; Armesto, Nestor/C-4341-2017;
Martinez Hernandez, Mario Ivan/F-4083-2010; Ferretti,
Alessandro/F-4856-2013; Fernandez Tellez, Arturo/E-9700-2017; Kovalenko,
Vladimir/C-5709-2013; Vickovic, Linda/F-3517-2017; Rui,
Rinaldo/L-1926-2015; Akindinov, Alexander/J-2674-2016; Takahashi,
Jun/B-2946-2012; Nattrass, Christine/J-6752-2016; Usai,
Gianluca/E-9604-2015; Cosentino, Mauro/L-2418-2014; Suaide,
Alexandre/L-6239-2016; Peitzmann, Thomas/K-2206-2012; Fachbereich14,
Dekanat/C-8553-2015; Martynov, Yevgen/L-3009-2015; Castillo Castellanos,
Javier/G-8915-2013; Inst. of Physics, Gleb Wataghin/A-9780-2017
OI Barnby, Lee/0000-0001-7357-9904; feofilov, grigory/0000-0003-3700-8623;
Christensen, Christian/0000-0002-1850-0121; De Pasquale,
Salvatore/0000-0001-9236-0748; Chinellato, David/0000-0002-9982-9577;
Felea, Daniel/0000-0002-3734-9439; de Cuveland, Jan/0000-0003-0455-1398;
Kurepin, Alexey/0000-0002-1851-4136; Jena, Deepika/0000-0003-2112-0311;
Jena, Satyajit/0000-0002-6220-6982; Naru, Muhammad
Umair/0000-0001-6489-0784; Zarochentsev, Andrey/0000-0002-3502-8084;
Janik, Malgorzata/0000-0002-3356-3438; Pshenichnov,
Igor/0000-0003-1752-4524; Sevcenco, Adrian/0000-0002-4151-1056;
Altsybeev, Igor/0000-0002-8079-7026; Vinogradov,
Leonid/0000-0001-9247-6230; Kondratiev, Valery/0000-0002-0031-0741;
Vechernin, Vladimir/0000-0003-1458-8055; Brucken, Jens
Erik/0000-0001-6066-8756; Murray, Sean/0000-0003-0548-588X; Fernandez
Tellez, Arturo/0000-0001-5092-9748; Scarlassara,
Fernando/0000-0002-4663-8216; Guerzoni, Barbara/0000-0003-3187-7051; Di
Bari, Domenico/0000-0002-5559-8906; Giubilato,
Piero/0000-0003-4358-5355; Christiansen, Peter/0000-0001-7066-3473;
Lemmon, Roy/0000-0002-1259-979X; Nielsen, Borge S/0000-0002-0091-1934;
Read, Kenneth/0000-0002-3358-7667; Riggi, Francesco/0000-0002-0030-8377;
Ferreiro, Elena/0000-0002-4449-2356; Armesto,
Nestor/0000-0003-0940-0783; Martinez Hernandez, Mario
Ivan/0000-0002-8503-3009; Ferretti, Alessandro/0000-0001-9084-5784;
Fernandez Tellez, Arturo/0000-0003-0152-4220; Kovalenko,
Vladimir/0000-0001-6012-6615; Vickovic, Linda/0000-0002-9820-7960;
Feliciello, Alessandro/0000-0001-5823-9733; Rui,
Rinaldo/0000-0002-6993-0332; Scomparin, Enrico/0000-0001-9015-9610;
Virgili, Tiziano/0000-0003-0471-7052; Akindinov,
Alexander/0000-0002-7388-3022; Takahashi, Jun/0000-0002-4091-1779;
Nattrass, Christine/0000-0002-8768-6468; Usai,
Gianluca/0000-0002-8659-8378; Cosentino, Mauro/0000-0002-7880-8611;
Suaide, Alexandre/0000-0003-2847-6556; Peitzmann,
Thomas/0000-0002-7116-899X; Martynov, Yevgen/0000-0003-0753-2205;
Castillo Castellanos, Javier/0000-0002-5187-2779;
FU State Committee of Science, Armenia; World Federation of Scientists
(WFS), Armenia; Swiss Fonds Kidagan, Armenia; Conselho Nacional de
Desenvolvimento Cientifico e Tecnologico (CNPq); Financiadora de Estudos
e Projetos (FINEP); Fundacao de Amparo a Pesquisa do Estado de Sao Paulo
(FAPESP); National Natural Science Foundation of China (NSFC); Chinese
Ministry of Education (CMOE); Ministry of Science and Technology of
China (MSTC); Ministry of Education and Youth of the Czech Republic;
Danish Natural Science Research Council; Carlsberg Foundation; Danish
National Research Foundation; European Research Council under the
European Community's Seventh Framework Programme; Helsinki Institute of
Physics; Academy of Finland; French CNRS-IN2P3; 'Region Pays de Loire',
France; 'Region Alsace', France; 'Region Auvergne', France; CEA, France;
German Bundesministerium fur Bildung, Wissenschaft, Forschung und
Technologie (BMBF); Helmholtz Association; General Secretariat for
Research and Technology, Ministry of Development, Greece; Hungarian
Orszagos Tudomanyos Kutatasi Alappgrammok (OTKA); National Office for
Research and Technology (NKTH); Department of Atomic Energy and
Department of Science and Technology of the Government of India;
Istituto Nazionale di Fisica Nucleare (INFN), Italy; Centro Fermi-Museo
Storico della Fisica e Centro Studi e Ricerche 'Enrico Fermi', Italy;
MEXT, Japan; Joint Institute for Nuclear Research, Dubna; National
Research Foundation of Korea (NRF); Consejo Nacional de Cienca y
Tecnologia (CONACYT), Mexico; Direccion General de Asuntos del Personal
Academico (DGAPA), Mexico; Amerique Latine Formation academique European
Commission (ALFA-EC); EPLANET Program (European Particle Physics Latin
American Network) Stichting voor Fundamenteel Onderzoek der Materie
(FOM), Netherlands; Nederlandse Organisatie voor Wetenschappelijk
Onderzoek (NWO), Netherlands; Research Council of Norway (NFR); National
Science Centre, Poland; Ministry of National Education/Institute for
Atomic Physics; Consiliul Naional al Cercetrii tiinifice-Executive
Agency for Higher Education Research Development and Innovation Funding
(CNCS-UEFISCDI)-Romania; Ministry of Education and Science of Russian
Federation; Russian Academy of Sciences; Russian Federal Agency of
Atomic Energy; Russian Federal Agency for Science and Innovations;
Russian Foundation for Basic Research; Ministry of Education of
Slovakia; Department of Science and Technology, South Africa; Centro de
Investigaciones Energeticas, Medioambientales y Tecnologicas (CIEMAT);
E-Infrastructure shared between Europe and Latin America (EELA);
Ministerio de Economia y Competitividad (MINECO) of Spain; Xunta de
Galicia (Conselleria de Educacion); Centro de Aplicaciones Tecnolgicas y
Desarrollo Nuclear (CEADEN); Cubaenergia; Cuba; IAEA (International
Atomic Energy Agency); Swedish Research Council (VR); Knut AMP;
AliceWallenberg Foundation (KAW); Ukraine Ministry of Education and
Science; United Kingdom Science and Technology Facilities Council
(STFC); United States Department of Energy; United States National
Science Foundation; State of Texas; State of Ohio; Ministry of Science,
Education and Sports of Croatia, Croatia; Unity through Knowledge Fund,
Croatia; Council of Scientific and Industrial Research (CSIR), New
Delhi, India
FX The ALICE Collaboration would like to thank all its engineers and
technicians for their invaluable contributions to the construction of
the experiment and the CERN accelerator teams for the outstanding
performance of the LHC complex. The ALICE Collaboration gratefully
acknowledges the resources and support provided by all Grid centres and
the Worldwide LHC Computing Grid (WLCG) collaboration.; r The ALICE
Collaboration acknowledges the following funding agencies for their
support in building and running the ALICE detector: State Committee of
Science, World Federation of Scientists (WFS) and Swiss Fonds Kidagan,
Armenia; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico
(CNPq), Financiadora de Estudos e Projetos (FINEP), Fundacao de Amparo a
Pesquisa do Estado de Sao Paulo (FAPESP); National Natural Science
Foundation of China (NSFC), the Chinese Ministry of Education (CMOE) and
the Ministry of Science and Technology of China (MSTC); Ministry of
Education and Youth of the Czech Republic; Danish Natural Science
Research Council, the Carlsberg Foundation and the Danish National
Research Foundation; The European Research Council under the European
Community's Seventh Framework Programme; Helsinki Institute of Physics
and the Academy of Finland; French CNRS-IN2P3, the 'Region Pays de
Loire', 'Region Alsace', 'Region Auvergne' and CEA, France; German
Bundesministerium fur Bildung, Wissenschaft, Forschung und Technologie
(BMBF) and the Helmholtz Association; General Secretariat for Research
and Technology, Ministry of Development, Greece; Hungarian Orszagos
Tudomanyos Kutatasi Alappgrammok (OTKA) and National Office for Research
and Technology (NKTH); Department of Atomic Energy and Department of
Science and Technology of the Government of India; Istituto Nazionale di
Fisica Nucleare (INFN) and Centro Fermi-Museo Storico della Fisica e
Centro Studi e Ricerche 'Enrico Fermi', Italy; MEXT Grant-in-Aid for
Specially Promoted Research, Japan; Joint Institute for Nuclear
Research, Dubna; National Research Foundation of Korea (NRF); Consejo
Nacional de Cienca y Tecnologia (CONACYT), Direccion General de Asuntos
del Personal Academico (DGAPA), Mexico; Amerique Latine Formation
academique European Commission (ALFA-EC) and the EPLANET Program
(European Particle Physics Latin American Network) Stichting voor
Fundamenteel Onderzoek der Materie (FOM) and the Nederlandse Organisatie
voor Wetenschappelijk Onderzoek (NWO), Netherlands; Research Council of
Norway (NFR); National Science Centre, Poland; Ministry of National
Education/Institute for Atomic Physics and Consiliul Naional al
Cercetrii tiinifice-Executive Agency for Higher Education Research
Development and Innovation Funding (CNCS-UEFISCDI)-Romania; Ministry of
Education and Science of Russian Federation, Russian Academy of
Sciences, Russian Federal Agency of Atomic Energy, Russian Federal
Agency for Science and Innovations and The Russian Foundation for Basic
Research; Ministry of Education of Slovakia; Department of Science and
Technology, South Africa; Centro de Investigaciones Energeticas,
Medioambientales y Tecnologicas (CIEMAT), E-Infrastructure shared
between Europe and Latin America (EELA), Ministerio de Economia y
Competitividad (MINECO) of Spain, Xunta de Galicia (Conselleria de
Educacion), Centro de Aplicaciones Tecnolgicas y Desarrollo Nuclear
(CEADEN), Cubaenergia, Cuba, and IAEA (International Atomic Energy
Agency); Swedish Research Council (VR) and Knut & AliceWallenberg
Foundation (KAW); Ukraine Ministry of Education and Science; United
Kingdom Science and Technology Facilities Council (STFC); The United
States Department of Energy, the United States National Science
Foundation, the State of Texas, and the State of Ohio; Ministry of
Science, Education and Sports of Croatia and Unity through Knowledge
Fund, Croatia; Council of Scientific and Industrial Research (CSIR), New
Delhi, India.
NR 30
TC 6
Z9 6
U1 9
U2 88
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 OCT
PY 2015
VL 11
IS 10
BP 811
EP 814
DI 10.1038/NPHYS3432
PG 4
WC Physics, Multidisciplinary
SC Physics
GA CS6KX
UT WOS:000362188600013
ER
PT J
AU Yang, LY
Sinitsyn, NA
Chen, WB
Yuan, JT
Zhang, J
Lou, J
Crooker, SA
AF Yang, Luyi
Sinitsyn, Nikolai A.
Chen, Weibing
Yuan, Jiangtan
Zhang, Jing
Lou, Jun
Crooker, Scott A.
TI Long-lived nanosecond spin relaxation and spin coherence of electrons in
monolayer MoS2 and WS2
SO NATURE PHYSICS
LA English
DT Article
AB The recently discovered monolayer transition metal dichalcogenides (TMDCs) provide a fertile playground to explore new coupled spin-valley physics(1-3). Although robust spin and valley degrees of freedom are inferred from polarized photoluminescence (PL) experiments(4-8), PL timescales are necessarily constrained by short-lived (3-100 ps) electron-hole recombination(9,10). Direct probes of spin/valley polarization dynamics of resident carriers in electron (or hole)-doped TMDCs, which may persist long after recombination ceases, are at an early stage(11-13). Here we directly measure the coupled spin-valley dynamics in electron-doped MoS2 and WS2 monolayers using optical Kerr spectroscopy, and reveal very long electron spin lifetimes, exceeding 3 ns at 5 K (two to three orders of magnitude longer than typical exciton recombination times). In contrast with conventional III-V or II-VI semiconductors, spin relaxation accelerates rapidly in small transverse magnetic fields. Supported by a model of coupled spin-valley dynamics, these results indicate a novel mechanism of itinerant electron spin dephasing in the rapidly fluctuating internal spin-orbit field in TMDCs, driven by fast inter-valley scattering. Additionally, a long-lived spin coherence is observed at lower energies, commensurate with localized states. These studies provide insight into the physics underpinning spin and valley dynamics of resident electrons in atomically thin TMDCs.
C1 [Yang, Luyi; Crooker, Scott A.] Natl High Magnet Field Lab, Los Alamos, NM 87545 USA.
[Sinitsyn, Nikolai A.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Chen, Weibing; Yuan, Jiangtan; Zhang, Jing; Lou, Jun] Rice Univ, Dept Mat Sci & NanoEngn, Houston, TX 77005 USA.
RP Crooker, SA (reprint author), Natl High Magnet Field Lab, Los Alamos, NM 87545 USA.
EM crooker@lanl.gov
FU Los Alamos LDRD programme; NSF [DMR-1157490]; State of Florida; AFOSR
[FA9550-14-1-0268]; Welch Foundation [C1716]
FX We gratefully acknowledge D. L. Smith and H. Dery for helpful
discussions, and W. D. Rice for laser expertise. This work was supported
by the Los Alamos LDRD programme. These optical studies were performed
at the National High Magnetic Field Laboratory, which is supported by
NSF DMR-1157490 and the State of Florida. We also acknowledge the
support from AFOSR (grant FA9550-14-1-0268) and the Welch Foundation
(grant C1716).
NR 30
TC 38
Z9 38
U1 20
U2 114
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 OCT
PY 2015
VL 11
IS 10
BP 830
EP U187
DI 10.1038/NPHYS3419
PG 6
WC Physics, Multidisciplinary
SC Physics
GA CS6KX
UT WOS:000362188600017
ER
PT J
AU Feng, YJ
van Wezel, J
Wang, JY
Flicker, F
Silevitch, DM
Littlewood, PB
Rosenbaum, TF
AF Feng, Yejun
van Wezel, Jasper
Wang, Jiyang
Flicker, Felix
Silevitch, D. M.
Littlewood, P. B.
Rosenbaum, T. F.
TI Itinerant density wave instabilities at classical and quantum critical
points
SO NATURE PHYSICS
LA English
DT Article
ID X-RAY-SCATTERING; PHASE-TRANSITION; HIGH-PRESSURE; ELECTRIC-FIELD;
FERMI-SURFACE; CHARGE; NBSE3; SUPERCONDUCTIVITY; FLUCTUATIONS; 2H-TASE2
AB Charge ordering in metals is a fundamental instability of the electron sea, occurring in a host of materials and often linked to other collective ground states such as superconductivity. What is difficult to parse, however, is whether the charge order originates among the itinerant electrons or whether it arises from the ionic lattice. Here we employ high-resolution X-ray diffraction, combined with high-pressure and low-temperature techniques and theoretical modelling, to trace the evolution of the ordering wavevector Q in charge and spin density wave systems at the approach to both thermal and quantum phase transitions. The non-monotonic behaviour of Q with pressure and the limiting sinusoidal form of the density wave point to the dominant role of the itinerant instability in the vicinity of the critical points, with little influence from the lattice. Fluctuations rather than disorder seem to disrupt coherence.
C1 [Feng, Yejun] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Feng, Yejun; Wang, Jiyang; Silevitch, D. M.; Littlewood, P. B.; Rosenbaum, T. F.] Univ Chicago, James Franck Inst, Chicago, IL 60637 USA.
[Feng, Yejun; Wang, Jiyang; Silevitch, D. M.; Littlewood, P. B.; Rosenbaum, T. F.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA.
[van Wezel, Jasper] Univ Amsterdam, Inst Theoret Phys, NL-1090 GL Amsterdam, Netherlands.
[Flicker, Felix] Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TL, Avon, England.
[Littlewood, P. B.] Argonne Natl Lab, Phys Sci & Engn, Argonne, IL 60439 USA.
[Rosenbaum, T. F.] CALTECH, Div Phys Math & Astron, Pasadena, CA 91125 USA.
RP Feng, YJ (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
EM yejun@anl.gov; tfr@caltech.edu
RI Littlewood, Peter/B-7746-2008; Feng, Yejun/A-5417-2009;
OI Feng, Yejun/0000-0003-3667-056X; Flicker, Felix/0000-0002-8362-1384
FU National Science Foundation [1206519]; US Department of Energy Basic
Energy Sciences [NEAC02-06CH11357]; VIDI grant - Netherlands
Organization for Scientific Research (NWO)
FX We are grateful for stimulating discussions with R. Jaramillo, C. V.
Parker and M. R. Norman, and for NbSe2 samples provided by Y.
Liu and Z.-A. Xu. The work at the University of Chicago was supported by
National Science Foundation Grant No. 1206519. The work at the Advanced
Photon Source of Argonne National Laboratory was supported by the US
Department of Energy Basic Energy Sciences under Contract No.
NEAC02-06CH11357. J.v.W. acknowledges support from a VIDI grant financed
by the Netherlands Organization for Scientific Research (NWO).
NR 52
TC 5
Z9 5
U1 4
U2 32
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 OCT
PY 2015
VL 11
IS 10
BP 865
EP U106
DI 10.1038/NPHYS3416
PG 8
WC Physics, Multidisciplinary
SC Physics
GA CS6KX
UT WOS:000362188600024
ER
PT J
AU Grant, RE
Rashti, MJ
Balaji, P
Afsahi, A
AF Grant, Ryan E.
Rashti, Mohammad J.
Balaji, Pavan
Afsahi, Ahmad
TI Scalable connectionless RDMA over unreliable datagrams
SO PARALLEL COMPUTING
LA English
DT Article
DE iWARP; RDMA; Datagrams; Unreliable network transport; Ethernet;
Datacenter
AB The overhead imposed by connection-based protocols for high-performance computing (HPC) systems can be detrimental to system resource usage and performance. This paper demonstrates for the first time a unified send/recv and Remote Direct Memory Access (RDMA) Write over datagrams design for RDMA-capable network adapters. We previously designed the first and only unreliable datagram RDMA model, RDMA Write-Record, and demonstrated its superior performance over connection-based RDMA. RDMA Write-Record can be applied to several RDMA capable networks, such as iWARP and InfiniBand (which does not support unreliable RDMA Writes). iWARP is a state-of-the-art, high-speed, connection-based RDMA networking technology for both local and wide-area Ethernet networks. iWARP is used as the platform to demonstrate our unreliable RDMA operation design for both channel and memory semantics. We previously outlined the requirements for extending iWARP to operate over datagrams. Here we extend our work on commercial datacenter applications by providing broadcast support for send/recv. In order to study the scalability of datagram-iWARP, we added Message Passing Interface support for RDMA Write-Record to investigate the scalability of HPC-based scientific applications for both send/recv and RDMA Write-Record. The results show that both models outperform their connection-based alternatives, providing superior performance and scalability in a software prototype. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Grant, Ryan E.; Rashti, Mohammad J.; Afsahi, Ahmad] Queens Univ, Dept Elect & Comp Engn, Kingston, ON K7L 3N6, Canada.
[Balaji, Pavan] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA.
RP Grant, RE (reprint author), Sandia Natl Labs, Scalable Syst Software Dept, POB 5800, Albuquerque, NM 87185 USA.
EM regrant@sandia.gov; mohammad.rashti@queensu.ca; balaji@mcs.anl.gov;
ahmad.afsahi@queensu.ca
FU Natural Sciences and Engineering Research Council of Canada
[RGPIN/238964-2011]; Canada Foundation for Innovation; Ontario
Innovation Trust [7154]; U.S. Department of Energy, Office of Science,
Advanced Scientific Computing Research [DE-AC02-06CH11357]; National
Science Foundation [0702182]
FX This work was supported in part by the Natural Sciences and Engineering
Research Council of Canada grant #RGPIN/238964-2011; Canada Foundation
for Innovation and Ontario Innovation Trust grant #7154; U.S. Department
of Energy, Office of Science, Advanced Scientific Computing Research,
under contract DE-AC02-06CH11357; and the National Science Foundation
grant #0702182.
NR 39
TC 0
Z9 0
U1 1
U2 4
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0167-8191
EI 1872-7336
J9 PARALLEL COMPUT
JI Parallel Comput.
PD OCT
PY 2015
VL 48
BP 15
EP 39
DI 10.1016/j.parco.2015.03.009
PG 25
WC Computer Science, Theory & Methods
SC Computer Science
GA CS4PI
UT WOS:000362057600002
ER
PT J
AU Bisset, RN
Wang, WL
Ticknor, C
Carretero-Gonzalez, R
Frantzeskakis, DJ
Collins, LA
Kevrekidis, PG
AF Bisset, R. N.
Wang, Wenlong
Ticknor, C.
Carretero-Gonzalez, R.
Frantzeskakis, D. J.
Collins, L. A.
Kevrekidis, P. G.
TI Bifurcation and stability of single and multiple vortex rings in
three-dimensional Bose-Einstein condensates
SO PHYSICAL REVIEW A
LA English
DT Article
ID DARK SOLITONS; MONOPOLES; MOTIONS; OPTICS; LIMIT; FIELD
AB In the present work, we investigate how single- and multi-vortex-ring states can emerge from a planar dark soliton in three-dimensional (3D) Bose-Einstein condensates (confined in isotropic or anisotropic traps) through bifurcations. We characterize such bifurcations quantitatively using a Galerkin-type approach and find good qualitative and quantitative agreement with our Bogoliubov-de Gennes (BdG) analysis. We also systematically characterize the BdG spectrum of the dark solitons, using perturbation theory, and obtain a quantitative match with our 3D BdG numerical calculations. We then turn our attention to the emergence of single-and multi-vortex-ring states. We systematically capture these as stationary states of the system and quantify their BdG spectra numerically. We find that although the vortex ring may be unstable when bifurcating, its instabilities weaken and may even eventually disappear for sufficiently large chemical potentials and suitable trap settings. For instance, we demonstrate the stability of the vortex ring for an isotropic trap in the large-chemical-potential regime.
C1 [Bisset, R. N.; Kevrekidis, P. G.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
[Bisset, R. N.; Ticknor, C.; Collins, L. A.; Kevrekidis, P. G.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Wang, Wenlong] Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA.
[Carretero-Gonzalez, R.] San Diego State Univ, Nonlinear Dynam Syst Grp, Computat Sci Res Ctr, San Diego, CA 92182 USA.
[Carretero-Gonzalez, R.] San Diego State Univ, Dept Math & Stat, San Diego, CA 92182 USA.
[Frantzeskakis, D. J.] Univ Athens, Dept Phys, Athens 15784, Greece.
[Kevrekidis, P. G.] Univ Massachusetts, Dept Math & Stat, Amherst, MA 01003 USA.
RP Bisset, RN (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
EM rnbisset@gmail.com; kevrekid@math.umass.edu
RI Ticknor, Christopher/B-8651-2014; Bisset, Russell/H-1750-2012;
OI Ticknor, Christopher/0000-0001-9972-4524
FU National Science Foundation (NSF) [DMR-1208046, DMS-1312856,
DMS-1309035]; US-AFOSR [FA950-12-1-0332]; ERC; Marie Curie Actions,
People, International Research Staff Exchange Schem [IRSES-605096]; US
Department of Energy (DOE); Special Account for Research Grants of the
University of Athens; Los Alamos National Laboratory; NNSA of the US DOE
[DE-AC52-06NA25396]
FX R.N.B. would like to thank D. Baillie and R. M. Wilson for useful
discussions. W.W. acknowledges support from the National Science
Foundation (NSF; Grant No. DMR-1208046). P.G.K. gratefully acknowledges
the support of NSF Grant No. DMS-1312856, as well as of the US-AFOSR
under Grant No. FA950-12-1-0332 and the ERC under FP7, Marie Curie
Actions, People, International Research Staff Exchange Scheme
(IRSES-605096), and insightful discussions with Prof. Ionut Danaila.
P.G.K.'s work at Los Alamos was supported in part by the US Department
of Energy (DOE). R.C.G. gratefully acknowledges the support of NSF Grant
No. DMS-1309035. The work of D.J.F. was partially supported by the
Special Account for Research Grants of the University of Athens. This
work was performed under the auspices of the Los Alamos National
Laboratory, which is operated by LANS, LLC, for the NNSA of the US DOE
under Contract No. DE-AC52-06NA25396.
NR 58
TC 4
Z9 4
U1 3
U2 17
PU AMER PHYSICAL SOC
PI COLLEGE PK
PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 2469-9926
EI 2469-9934
J9 PHYS REV A
JI Phys. Rev. A
PD OCT 1
PY 2015
VL 92
IS 4
AR 043601
DI 10.1103/PhysRevA.92.043601
PG 13
WC Optics; Physics, Atomic, Molecular & Chemical
SC Optics; Physics
GA CS4XK
UT WOS:000362079400005
ER
PT J
AU Handunkanda, SU
Curry, EB
Voronov, V
Said, AH
Guzman-Verri, GG
Brierley, RT
Littlewood, PB
Hancock, JN
AF Handunkanda, Sahan U.
Curry, Erin B.
Voronov, Vladimir
Said, Ayman H.
Guzman-Verri, Gian G.
Brierley, Richard T.
Littlewood, Peter B.
Hancock, Jason N.
TI Large isotropic negative thermal expansion above a structural quantum
phase transition
SO PHYSICAL REVIEW B
LA English
DT Article
ID SCF3 CRYSTAL; CUBIC SCF3; DYNAMICS; SCATTERING; SRTIO3
AB Perovskite structured materials contain myriad tunable ordered phases of electronic and magnetic origin with proven technological importance and strong promise for a variety of energy solutions. An always-contributing influence beneath these cooperative and competing interactions is the lattice, whose physics may be obscured in complex perovskites by the many coupled degrees of freedom, which makes these systems interesting. Here, we report signatures of an approach to a quantum phase transition very near the ground state of the nonmagnetic, ionic insulating, simple cubic perovskite material ScF3, and show that its physical properties are strongly effected as much as 100 K above the putative transition. Spatial and temporal correlations in the high-symmetry cubic phase determined using energy- and momentum-resolved inelastic x-ray scattering as well as x-ray diffraction reveal that soft mode, central peak, and thermal expansion phenomena are all strongly influenced by the transition.
C1 [Handunkanda, Sahan U.; Curry, Erin B.; Hancock, Jason N.] Univ Connecticut, Dept Phys, Storrs, CT 06269 USA.
[Handunkanda, Sahan U.; Curry, Erin B.; Hancock, Jason N.] Univ Connecticut, Inst Mat Sci, Storrs, CT 06269 USA.
[Voronov, Vladimir] LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia.
[Said, Ayman H.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Guzman-Verri, Gian G.] Univ Costa Rica, Ctr Invest Ciencia & Ingn Mat, San Jose 2060, Costa Rica.
[Guzman-Verri, Gian G.] Univ Costa Rica, Escuela Fis, San Jose 2060, Costa Rica.
[Guzman-Verri, Gian G.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60349 USA.
[Brierley, Richard T.] Yale Univ, Dept Phys, New Haven, CT 06520 USA.
[Littlewood, Peter B.] Univ Chicago, James Franck Inst, Chicago, IL 60637 USA.
[Littlewood, Peter B.] Argonne Natl Lab, Argonne, IL 60349 USA.
RP Hancock, JN (reprint author), Univ Connecticut, Dept Phys, Storrs, CT 06269 USA.
EM jason.hancock@uconn.edu
RI Littlewood, Peter/B-7746-2008; Guzman-Verri, G/H-6031-2011
FU National Science Foundation [DMR-1506825]; Vicerrectoria de
Investigacion [816-B5-220]; US Department of Energy, Office of Basic
Energy Sciences [DE-AC02-06CH11357]; Yale Prize Postdoctoral Fellowship;
NSF [DMR-0115852]
FX The authors also acknowledge the valuable conversations with Joe Budnick
and Gabe Aeppli. Work at the University of Connecticut is supported by
National Science Foundation Award No. DMR-1506825. Work at the
University of Costa Rica is supported by Vicerrectoria de Investigacion
under Project No. 816-B5-220, and work at Argonne National Laboratory is
supported by the US Department of Energy, Office of Basic Energy
Sciences under Contract No. DE-AC02-06CH11357. R.T.B. acknowledges
support from the Yale Prize Postdoctoral Fellowship. The construction of
HERIX was partially supported by the NSF under Grant No. DMR-0115852.
NR 35
TC 9
Z9 9
U1 5
U2 45
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 OCT 1
PY 2015
VL 92
IS 13
AR 134101
DI 10.1103/PhysRevB.92.134101
PG 6
WC Physics, Condensed Matter
SC Physics
GA CS4YL
UT WOS:000362082200001
ER
PT J
AU Lindsay, L
Parker, DS
AF Lindsay, L.
Parker, D. S.
TI Calculated transport properties of CdO: Thermal conductivity and
thermoelectric power factor
SO PHYSICAL REVIEW B
LA English
DT Article
ID P-TYPE ZNO; MOLECULAR-BEAM EPITAXY; ELECTRONIC-STRUCTURE; THIN-FILMS;
PHONONS; APPROXIMATION; SCATTERING; EQUATION
AB We present first-principles calculations of the thermal and electronic transport properties of the oxide semiconductor CdO. In particular, we find from theory that the accepted thermal conductivity k value of 0.7 Wm(-1) K-1 is approximately one order of magnitude too small; our calculations of k of CdO are in good agreement with recent measurements. We also find that alloying of MgO with CdO is an effective means to reduce the lattice contribution to k, despite MgO having a much larger thermal conductivity. We further consider the electronic structure of CdO in relation to thermoelectric performance, finding that large thermoelectric power factors may occur if the material can be heavily doped p type. This work develops insight into the nature of thermal and electronic transport in an important oxide semiconductor.
C1 [Lindsay, L.; Parker, D. S.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RP Lindsay, L (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RI Lindsay, Lucas/C-9221-2012
OI Lindsay, Lucas/0000-0001-9645-7993
FU U. S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Materials Sciences and Engineering Division; National Energy
Research Scientific Computing Center (NERSC); Office of Science of the
U. S. Department of Energy [DE-AC02-05CH11231]; U.S. DOE, Office of
Energy Efficiency and Renewable Energy, Vehicle Technologies Office,
Propulsion Materials Program
FX L.L. acknowledges support from the U. S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, Materials Sciences and
Engineering Division and 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. D.P. was supported by the U.S.
DOE, Office of Energy Efficiency and Renewable Energy, Vehicle
Technologies Office, Propulsion Materials Program.
NR 62
TC 5
Z9 5
U1 7
U2 43
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 OCT 1
PY 2015
VL 92
IS 14
AR 144301
DI 10.1103/PhysRevB.92.144301
PG 6
WC Physics, Condensed Matter
SC Physics
GA CS4ZD
UT WOS:000362084000003
ER
PT J
AU Chen, CY
Dev, PSB
Soni, A
AF Chen, Chien-Yi
Dev, P. S. Bhupal
Soni, Amarjit
TI Two-component flux explanation for the high energy neutrino events at
IceCube
SO PHYSICAL REVIEW D
LA English
DT Article
ID COSMIC-RAY EMISSION; GAMMA-RAY; PERTURBATION-THEORY; SPECTRAL CUTOFF;
POINT SOURCES; PEV; ANTINEUTRINOS; SCATTERING; GALAXIES; SEARCHES
AB Understanding the spectral and flavor composition of the astrophysical neutrino flux responsible for the recently observed ultrahigh-energy events at IceCube is of great importance for both astrophysics and particle physics. We perform a statistical likelihood analysis to the three-year IceCube data and derive the allowed range of the spectral index and flux normalization for various well-motivated physical flavor compositions at the source. While most of the existing analyses so far assume the flavor composition of the neutrinos at an astrophysical source to be (1:2:0), it seems rather unnatural to assume only one type of source, once we recognize the possibility of at least two physical sources. Bearing this in mind, we entertain the possibility of a two-component source for the analysis of IceCube data. It appears that our two-component hypothesis explains some key features of the data better than a single-component scenario; i.e. it addresses the apparent energy gap between 400 TeV and about 1 PeV and easily accommodates the observed track-to-shower ratio. Given the extreme importance of the flavor composition for the correct interpretation of the underlying astrophysical processes as well as for the ramification for particle physics, this two-component flux should be tested as more data is accumulated.
C1 [Chen, Chien-Yi; Soni, Amarjit] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
[Dev, P. S. Bhupal] Univ Manchester, Sch Phys & Astron, Consortium Fundamental Phys, Manchester M13 9PL, Lancs, England.
RP Chen, CY (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
OI Dev, Bhupal/0000-0003-4655-2866
FU Lancaster-Manchester-Sheffield Consortium for Fundamental Physics under
STFC [ST/L000520/1]; U.S. Department of Energy [DE-AC02-98CH10886]
FX We thank Alex Kusenko, Kohta Murase and Sergio Palomares-Ruiz for
helpful comments and discussions. The work of P. S. B. D. is supported
by the Lancaster-Manchester-Sheffield Consortium for Fundamental Physics
under STFC Grant No. ST/L000520/1. The work of C.-Y. C. and A. S. is
supported in part by the U.S. Department of Energy under Grant No.
DE-AC02-98CH10886. P. S. B. D. acknowledges the local hospitality at
BNL, where part of this work was done.
NR 118
TC 16
Z9 16
U1 0
U2 4
PU AMER PHYSICAL SOC
PI COLLEGE PK
PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 2470-0010
EI 2470-0029
J9 PHYS REV D
JI Phys. Rev. D
PD OCT 1
PY 2015
VL 92
IS 7
AR 073001
DI 10.1103/PhysRevD.92.073001
PG 10
WC Astronomy & Astrophysics; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA CS5BC
UT WOS:000362089400001
ER
PT J
AU Kevrekidis, PG
Cuevas-Maraver, J
Saxena, A
Cooper, F
Khare, A
AF Kevrekidis, Panayotis G.
Cuevas-Maraver, Jesus
Saxena, Avadh
Cooper, Fred
Khare, Avinash
TI Interplay between parity-time symmetry, supersymmetry, and nonlinearity:
An analytically tractable case example
SO PHYSICAL REVIEW E
LA English
DT Article
ID NON-HERMITIAN HAMILTONIANS; QUANTUM-MECHANICS; REAL EIGENVALUES;
POTENTIALS; SOLITONS
AB In the present work, we combine the notion of parity-time (PT) symmetry with that of supersymmetry (SUSY) for a prototypical case example with a complex potential that is related by SUSY to the so-called Poschl-Teller potential which is real. Not only are we able to identify and numerically confirm the eigenvalues of the relevant problem, but we also show that the corresponding nonlinear problem, in the presence of an arbitrary power-law nonlinearity, has an exact bright soliton solution that can be analytically identified and has intriguing stability properties, such as an oscillatory instability, which is absent for the corresponding solution of the regular nonlinear Schrodinger equation with arbitrary power-law nonlinearity. The spectral properties and dynamical implications of this instability are examined. We believe that these findings may pave the way toward initiating a fruitful interplay between the notions of PT symmetry, supersymmetric partner potentials, and nonlinear interactions.
C1 [Kevrekidis, Panayotis G.] Univ Massachusetts, Dept Math & Stat, Amherst, MA 01003 USA.
[Kevrekidis, Panayotis G.; Saxena, Avadh; Cooper, Fred] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
[Kevrekidis, Panayotis G.; Saxena, Avadh; Cooper, Fred] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Cuevas-Maraver, Jesus] Univ Seville, Escuela Politecn Super, Dept Fis Aplicada 1, Grp Fis Lineal, Seville 41011, Spain.
[Cuevas-Maraver, Jesus] IMUS, Seville 41012, Spain.
[Cooper, Fred] Santa Fe Inst, Santa Fe, NM 87501 USA.
[Khare, Avinash] Savitribai Phule Pune Univ, Dept Phys, Pune 411007, Maharashtra, India.
RP Kevrekidis, PG (reprint author), Univ Massachusetts, Dept Math & Stat, Amherst, MA 01003 USA.
EM kevrekid@math.umass.edu
RI Cuevas-Maraver, Jesus/A-1255-2008
OI Cuevas-Maraver, Jesus/0000-0002-7162-5759
FU US Department of Energy; Indian National Science Academy (INSA);
Binational Science Foundation [2010239]; ERC under FP7, Marie Curie
Actions, People, International Research Staff Exchange Scheme
[IRSES-605096]; [NSF-DMS-1312856]
FX This work was supported in part by the US Department of Energy. A.K.
wishes to thank the Indian National Science Academy (INSA) for financial
support at Pune University. P.G.K. gratefully acknowledges support from
NSF-DMS-1312856, the Binational Science Foundation under Grant No.
2010239, and the ERC under FP7, Marie Curie Actions, People,
International Research Staff Exchange Scheme (IRSES-605096).
NR 41
TC 6
Z9 6
U1 1
U2 5
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 OCT 1
PY 2015
VL 92
IS 4
AR 042901
DI 10.1103/PhysRevE.92.042901
PG 7
WC Physics, Fluids & Plasmas; Physics, Mathematical
SC Physics
GA CS5CG
UT WOS:000362093100003
PM 26565298
ER
PT J
AU Zhang, XF
Guo, JJ
Guan, PF
Qin, GW
Pennycook, SJ
AF Zhang, Xuefeng
Guo, Junjie
Guan, Pengfei
Qin, Gaowu
Pennycook, Stephen J.
TI Gigahertz Dielectric Polarization of Substitutional Single Niobium Atoms
in Defective Graphitic Layers
SO PHYSICAL REVIEW LETTERS
LA English
DT Article
ID CARBON NANOTUBES; DOPED C-60; SUPERCONDUCTIVITY; GRAPHENE
AB We synthesize two Nb/C composites with an order of magnitude difference in the density of single niobium atoms substituted into defective graphitic layers. The concentration and sites of single Nb atoms are identified using aberration-corrected scanning transmission electron microscopy and density functional theory. Comparing the experimental complex permittivity spectra reveals that a representative dielectric resonance at similar to 16 GHz originates from the intrinsic polarization of single Nb atom sites, which is confirmed by theoretical simulations. The single-atom dielectric resonance represents the physical limit of the electromagnetic response of condensed matter, and thus might open up a new avenue for designing electromagnetic wave absorption materials. Single-atom resonance also has important implications in understanding the correlation between the macroscopic dielectric behaviors and the atomic-scale structural origin.
C1 [Zhang, Xuefeng; Qin, Gaowu] Northeastern Univ, Sch Mat Sci & Engn, Key Lab Anisotropy & Texture Mat, MOE, Shenyang 110819, Peoples R China.
[Zhang, Xuefeng] Natl Res Council Canada, Boucherville, PQ J4B 6Y4, Canada.
[Guo, Junjie; Pennycook, Stephen J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Guan, Pengfei] Beijing Computat Sci Res Ctr, Beijing 100084, Peoples R China.
[Pennycook, Stephen J.] Natl Univ Singapore, Dept Mat Sci & Engn, Singapore 117576, Singapore.
[Guo, Junjie] Taiyuan Univ Technol, Minist Educ, Key Lab Interface Sci & Engn Adv Mat, Taiyuan 030024, Peoples R China.
RP Zhang, XF (reprint author), Northeastern Univ, Sch Mat Sci & Engn, Key Lab Anisotropy & Texture Mat, MOE, Shenyang 110819, Peoples R China.
EM zhangxf@atm.neu.edu.cn; pguan@csrc.ac.cn; qingw@smm.neu.edu.cn
RI guo, junjie/I-3189-2012; Zhang, Xuefeng/G-1960-2016
OI guo, junjie/0000-0002-3414-3734;
FU National Natural Science Foundation of China [51471045, 5152500382];
Northeastern University of China; Program for Changjiang Scholars,
Innovative Research Team in University [IRT0713]; Scientific User
Facilities Division, Office of Basic Energy Sciences, U.S. Department of
Energy
FX The authors gratefully acknowledge the National Natural Science
Foundation of China (Grants No. 51471045 and No. 5152500382), the
start-up funding support from the Northeastern University of China, and
the Program for Changjiang Scholars, Innovative Research Team in
University (IRT0713). This research used facilities provided by Oak
Ridge National Laboratory's ShaRE User Facility sponsored by the
Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy. P.G. thanks the Center for Computational
Materials Science, Institute for Materials Research, Tohoku University,
for providing us with the Hitachi SR11000 (Model K2) supercomputing
system. The authors sincerely appreciate the significant discussion with
Dr. Jamal Daoud, Dr. Keith Morton, and Dr. Matthew F. Chisholm.
NR 30
TC 3
Z9 3
U1 17
U2 76
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 OCT 1
PY 2015
VL 115
IS 14
AR 147601
DI 10.1103/PhysRevLett.115.147601
PG 5
WC Physics, Multidisciplinary
SC Physics
GA CS5DG
UT WOS:000362096000002
PM 26551823
ER
PT J
AU Stulberg, MJ
Huang, Q
AF Stulberg, Michael J.
Huang, Qi
TI A TaqMan-Based Multiplex qPCR Assay and DNA Extraction Method for
Phylotype IIB Sequevars 1&2 (Select Agent) Strains of Ralstonia
solanacearum
SO PLOS ONE
LA English
DT Article
ID POLYMERASE-CHAIN-REACTION; BLOOD-DISEASE BACTERIUM; REAL-TIME PCR; 3
BIOVAR 2; PSEUDOMONAS-SOLANACEARUM; SEQUENCE-ANALYSIS; SP-NOV;
AMPLIFICATION; GERANIUM; RACE-3
AB Ralstonia solanacearum race 3 biovar 2 strains belonging to phylotype IIB, sequevars 1 and 2 (IIB-1&2) cause brown rot of potato in temperate climates, and are quarantined pathogens in Canada and Europe. Since these strains are not established in the U.S. and because of their potential risk to the potato industry, the U.S. government has listed them as select agents. Cultivated geraniums are also a host and have the potential to spread the pathogen through trade, and its extracts strongly inhibits DNA-based detection methods. We designed four primer and probe sets for an improved qPCR method that targets stable regions of DNA. RsSA1 and RsSA2 recognize IIB-1&2 strains, RsII recognizes the current phylotype II (the newly proposed R. solanacearum species) strains (and a non-plant associated R. mannitolilytica), and Cox1 recognizes eight plant species including major hosts of R. solanacearum such as potato, tomato and cultivated geranium as an internal plant control. We multiplexed the RsSA2 with the RsII and Cox1 sets to provide two layers of detection of a positive IIB-1&2 sample, and to validate plant extracts and qPCR reactions. The TaqMan-based uniplex and multiplex qPCR assays correctly identified 34 IIB-1&2 and 52 phylotype II strains out of 90 R. solanacearum species complex strains. Additionally, the multiplex qPCR assay was validated successfully using 169 artificially inoculated symptomatic and asymptomatic plant samples from multiple plant hosts including geranium. Furthermore, we developed an extraction buffer that allowed for a quick and easy DNA extraction from infected plants including geranium for detection of R. solanacearum by qPCR. Our multiplex qPCR assay, especially when coupled with the quick extraction buffer method, allows for quick, easy and reliable detection and differentiation of the IIB-1&2 strains of R. solanacearum.
C1 [Stulberg, Michael J.; Huang, Qi] USDA, Floral & Nursery Plants Res Unit, ARS, Beltsville, MD 20705 USA.
[Stulberg, Michael J.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA.
RP Huang, Q (reprint author), USDA, Floral & Nursery Plants Res Unit, ARS, Beltsville, MD 20705 USA.
EM qi.huang@ars.usda.gov
FU U.S. Department of Agriculture (USDA); Agricultuiral Reseach Service
(ARS); Animal and Plant Health Inspection Service; U.S. Department of
Energy (DOE); USDA; DOE [DE-AC05-06OR23100]
FX This research was financially supported by the U.S. Department of
Agriculture (USDA), Agricultuiral Reseach Service (ARS) and Animal and
Plant Health Inspection Service. It was supported in part by an
appointment to the ARS Research Participation Program administered by
the Oak Ridge Institute for Science and Education (ORISE) through an
interagency agreement between the U.S. Department of Energy (DOE) and
USDA. ORISE is managed by ORAU under DOE contract number
DE-AC05-06OR23100.
NR 35
TC 2
Z9 2
U1 0
U2 8
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 OCT 1
PY 2015
VL 10
IS 10
AR e0139637
DI 10.1371/journal.pone.0139637
PG 20
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA CS6GT
UT WOS:000362177100084
PM 26426354
ER
PT J
AU Wong, JC
Zavarin, M
Begg, JD
Kersting, AB
Powell, BA
AF Wong, Jennifer C.
Zavarin, Mavrik
Begg, James D.
Kersting, Annie B.
Powell, Brian A.
TI Effect of equilibration time on Pu desorption from goethite
SO RADIOCHIMICA ACTA
LA English
DT Article
DE Plutonium; sorption; goethite; aging
ID NEVADA TEST-SITE; PLUTONIUM OXIDATION; DESFERRIOXAMINE-B; HUMIC
SUBSTANCES; KINETICS; SORPTION; ADSORPTION; IRON; REDUCTION; DISSOLUTION
AB It has been suggested that strongly sorbing ions such as plutoniummay become irreversibly bound to mineral surfaces over time which has implications for near and far-field transport of Pu. Batch adsorption-desorption data were collected as a function of time and pH to study the surface stability of Pu on goethite. Pu(IV) was adsorbed to goethite over the pH range 4.2 to 6.6 for different periods of time (1, 6, 15, 34 and 116 d). Following adsorption, Pu was leached from the mineral surface with desferrioxamine B (DFOB), acomplexant capable of effectively competing with the goethite surface for Pu. The amount of Pu desorbed from the goethite was found to vary as a function of the adsorption equilibration time, with less Pu removed from the goethite following longer adsorption periods. This effect was most pronounced at low pH. Logarithmic desorption distribution ratios for each adsorption equilibration time were fit to a pH-dependent model. Model slopes decreased between 1 and 116 d adsorption time, indicating that overall Pu(IV) surface stability on goethite surfaces becomes less dependent on pH with greater adsorption equilibration time. The combination of adsorption and desorption kinetic data suggest that non-redox aging processes affect Pu sorption behavior on goethite.
C1 [Wong, Jennifer C.; Powell, Brian A.] Clemson Univ, Dept Environm Engn & Earth Sci, Anderson, SC 29625 USA.
[Zavarin, Mavrik; Begg, James D.; Kersting, Annie B.] Lawrence Livermore Natl Lab, Glenn T Seaborg Inst, Livermore, CA 94551 USA.
RP Powell, BA (reprint author), Clemson Univ, Dept Environm Engn & Earth Sci, 342 Comp Court, Anderson, SC 29625 USA.
EM bpowell@clemson.edu
FU Subsurface Biogeochemical Research Program of the U.S. Department of
Energy's Office of Biological and Environmental Research
FX This work was supported by the Subsurface Biogeochemical Research
Program of the U.S. Department of Energy's Office of Biological and
Environmental Research.
NR 62
TC 2
Z9 2
U1 6
U2 22
PU WALTER DE GRUYTER GMBH
PI BERLIN
PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY
SN 0033-8230
J9 RADIOCHIM ACTA
JI Radiochim. Acta
PD OCT
PY 2015
VL 103
IS 10
BP 695
EP 705
DI 10.1515/ract-2015-2404
PG 11
WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology
SC Chemistry; Nuclear Science & Technology
GA CS2JG
UT WOS:000361895900003
ER
PT J
AU Yang, CL
Powell, BA
Zhang, SD
Rao, LF
AF Yang, Chunli
Powell, Brian A.
Zhang, Shengdong
Rao, Linfeng
TI Surface complexation modeling of neptunium(V) sorption to lepidocrocite
(gamma-FeOOH)
SO RADIOCHIMICA ACTA
LA English
DT Article
DE Neptunium; sorption; lepidocrocite; surface complexation model
ID RAY-ABSORPTION SPECTROSCOPY; IRON-CONTAINING MINERALS; METAL
(HYDR)OXIDES; ADSORPTION; HEMATITE; BEHAVIOR; MONTMORILLONITE;
HYDRARGILITE; MACKINAWITE; INTERFACE
AB Lepidocrocite (gamma-FeOOH), an important iron-bearing mineral found to exist with a relatively high abundance in the soils of the Chinese nuclear test sites, has rarely been studied for its sorption of transuranic elements from the nuclear wastes. This work develops a quantitative surface complexation model describing the sorption and speciation of Np(V) on synthetic lepidocrocite (gamma-FeOOH). Batch sorption experiments on gamma-FeOOH were performed under a range of conditions (25 C, 0.1M NaClO4, pH = 4-11, 5 mu M Np(V), and atmospheric conditions). The Diffuse Layer Model (DLM) was applied to describe the surface-complexation reaction. The data were best-fitted with a single surface-complexation reaction, ( XOH + NpO2+ = XONpO2 + H+) that occurred at the lepidocrocite/water interface to form an inner-sphere Np(V) complex with lepidocrocite. The results are complemented by the Np L-III-edge EXAFS data that show that Np(V) was absorbed on gamma-FeOOH as monomeric neptunyl ions, with no observations of multinuclear surface complexes or surface precipitates. A prominent peak at in the EXAFS Fourier Transform spectra can be attributed to aNp-Fe scattering path, consistent with the formation of an inner sphere Np(V)-lepidocrocite surface complex. Formation of aqueous NpO2 (CO3)(x)(1-2x) x complexes prevents Np(V) sorption at higher pH values but it is unclear if ternary lepidocrocite-Np-carbonate complexes may also form. These data indicate that there are subtle differences in Np(V) interactions with hematite, goethite, and lepidocrocite which is likely amanifestation of the differences in surface reactivity of the three minerals.
C1 [Powell, Brian A.] Clemson Univ, Dept Environm Engn & Earth Sci, Anderson, SC 29625 USA.
[Yang, Chunli; Zhang, Shengdong] China Inst Atom Energy, Radiochem Div, Beijing 102413, Peoples R China.
[Yang, Chunli; Rao, Linfeng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Powell, BA (reprint author), Clemson Univ, Dept Environm Engn & Earth Sci, Anderson, SC 29625 USA.
EM bpowell@clemson.edu
FU Nuclear Energy University Program (NEUP) of the U.S. Department of
Energy (US DOE), Office of Nuclear Energy at Lawrence Berkeley National
Laboratory (LBNL) [11-3180, DE-AC02-05CH11231]; Heavy Element Chemistry
Program, Office of Basic Energy Sciences, US DOE at LBNL
[DE-AC02-05CH11231]
FX The work on the preparation and characterization of the iron mineral and
the sorption of neptunium was supported by the Nuclear Energy University
Program (NEUP, Project 11-3180) of the U.S. Department of Energy (US
DOE), Office of Nuclear Energy under Contract No. DE-AC02-05CH11231 at
Lawrence Berkeley National Laboratory (LBNL). The work on the EXAFS
studies of neptunium was supported by the Heavy Element Chemistry
Program, Office of Basic Energy Sciences, US DOE under Contract No.
DE-AC02-05CH11231 at LBNL. The EXAFS data were collected at the Stanford
Synchrotron Radiation Laboratory operated by Stanford University for US
DOE. The authors thank Prof. Yuji Arai of University of Illinois at
Urbana-Champaign for fruitful discussions on the EXAFS data, Dr.
Zhicheng Zhang of Washington State University for assistance in the
EXAFS data analysis, Dr. Guoxin Tian of LBNL for technical assistance in
the laboratory, Dr. Chao Xu of LBNL and Tsinghua University for useful
discussions and constructive reviews of the manuscript, Dr. Wayne Lukens
of LBNL for assistance in collecting the powder Xray diffraction data,
and Dr. Li Yang of LBNL for the surface area measurement.
NR 34
TC 1
Z9 2
U1 6
U2 32
PU WALTER DE GRUYTER GMBH
PI BERLIN
PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY
SN 0033-8230
J9 RADIOCHIM ACTA
JI Radiochim. Acta
PD OCT
PY 2015
VL 103
IS 10
BP 707
EP 717
DI 10.1515/ract-2015-2405
PG 11
WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology
SC Chemistry; Nuclear Science & Technology
GA CS2JG
UT WOS:000361895900004
ER
PT J
AU Blackmon, JB
Weber, AH
Chiswell, SR
AF Blackmon, James B.
Weber, Allen H.
Chiswell, Steven R.
TI Wind gust distribution analysis and potential effects on heliostat
service life
SO SOLAR ENERGY
LA English
DT Article
DE Heliostat; Vortex shedding; Wind gusts
AB Intense gust conditions associated with storms are shown to occur in the range of heliostat natural frequencies and can thus induce high dynamic coupling loads. Wind data taken during a severe storm on an instrumented tower at Savannah River National Laboratory shows that conservative wind speed differences of at least +/- 4.5 m/s (+/- 10 mph) relative to the average speeds occurred a substantial fraction of the time over periods of the order of 1 s. Although these results were determined for a specific site and a particular storm, they are representative of storm conditions, which are governed primarily by buoyancy effects, as opposed to essentially boundary layer shear effects associated with time-averaged winds speeds that dominate meteorological site data sets. Since heliostats typically have relatively low damping ratios and natural frequencies of the order of 1 Hz, resonant dynamic coupling could occur with significantly higher loads than those predicted from design requirements for steady state winds. This effect reduces service life and impacts reliability through both possible near-instantaneous failures for excessively high dynamically coupled load and the additional high-load cycles that increase cumulative fatigue damage, even if relatively few in number, given the characteristics of fatigue life and loads. Therefore, the effect of these gust-induced cyclic dynamic effects on fatigue life and survival deserve consideration as part of heliostat design and operation. In particular, increased damping of heliostats to mitigate dynamic coupling deserves consideration. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Blackmon, James B.] Univ Alabama, Prop Res Ctr, Dept Mech & Aerosp Engn, Huntsville, AL 35899 USA.
[Weber, Allen H.; Chiswell, Steven R.] Savannah River Natl Lab, Aiken, SC 29808 USA.
RP Blackmon, JB (reprint author), Univ Alabama, Prop Res Ctr, Dept Mech & Aerosp Engn, S233 Technol Hall, Huntsville, AL 35899 USA.
EM blackmoj@uah.edu; Weber.allen@gmail.com; Steven.chiswell@srnl.doe.gov
FU U.S. Department of Energy (DOE) SunShot Initiative for Low Cost
Heliostat Development [DE-FOA-0003593]; University of Alabama in
Huntsville Propulsion Research Center; U.S. Department of Energy
[DE-AC09-96SR18500]; [0212295]
FX This analysis was supported in part by the U.S. Department of Energy
(DOE) SunShot Initiative, for Low Cost Heliostat Development under award
DE-FOA-0003593 to HiTek Services, Inc. and a subsequent subcontract to
the University of Alabama in Huntsville, purchase order number 0212295;
additional funding was provided by the University of Alabama in
Huntsville Propulsion Research Center. The meteorological and wind speed
monitoring activity was conducted at Savannah River National Laboratory
under Contract No. DE-AC09-96SR18500 with the U.S. Department of Energy.
NR 32
TC 0
Z9 0
U1 1
U2 5
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 OCT
PY 2015
VL 120
BP 221
EP 231
DI 10.1016/j.solener.2015.07.014
PG 11
WC Energy & Fuels
SC Energy & Fuels
GA CS5TV
UT WOS:000362142100022
ER
PT J
AU Elmer, JW
Vaja, J
Carlton, HD
Pong, R
AF Elmer, J. W.
Vaja, J.
Carlton, H. D.
Pong, R.
TI The Effect of Ar and N-2 Shielding Gas on Laser Weld Porosity in Steel,
Stainless Steels, and Nickel
SO WELDING JOURNAL
LA English
DT Article
DE Laser Welding; Porosity; Shielding Gas; Nitrogen; Argon; Stainless
Steel; Steel; Nickel; Computed Tomography; Weibull Relationship; Keyhole
Instability
ID NITROGEN ABSORPTION; METAL VAPORIZATION; DYNAMICS; IRON
AB Complete, or near complete, elimination of porosity in 3041 stainless steel keyhole laser welds was observed when using N-2 instead of Ar shielding gas. Partial penetration autogeneous welds were made at intermediate power levels of 2-4 kW using a continuous-wave (CW) fiber laser at travel speeds of 8-11 mm/s where porosity often occurs when using inert shielding gas. To investigate this effect further, laser welds were made in N-2 and Ar gas on three additional metals, A36 steel, 21-6-9 stainless steel, and pure nickel, that have varying properties and degrees of reactivity and solubilities with the shielding gases. Optical metallography, X-ray radiography, and X-ray computed tomography were used to characterize the porosity levels in the welds. Results show that high levels of porosity occurred in nickel, regardless of shielding gas type, while low levels or no porosity was observed in 21-6-9 for either shielding gas. However, A36 and 304L exhibited porosity in all of the welds made with Ar, and very low or no porosity when made with N-2. Computed tomography was used to quantify the porosity in selected welds, showing that the pore sizes are distributed in a monotonically decreasing trend that can be described by a two-parameter Weibull relationship (beta = 0.5429, alpha = 0.0366). Based on the results, it is believed that the reactivity of N-2 with alloying elements, and/or its solubility in the liquid weld pool, play a significant role in reducing the amount of retained porosity in unstable keyhole welds as they solidify and cool to room temperature.
C1 [Elmer, J. W.; Carlton, H. D.; Pong, R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Vaja, J.] AWE Aldetmaston, Reading, West Berksire, England.
RP Elmer, JW (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]
FX The authors would like to thank LLNL coworkers T. H. Gooch for assisting
with laser welding and C. L. Evans and J. J. Embree for performing
optical metallography of the welds, and J. A. Rodriguez, R. Thompson, W.
D. Brown, and B. J. Fix of the Non Destructive Evaluation group at LLNL
for radiography and CT reconstruction. 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 28
TC 4
Z9 4
U1 5
U2 17
PU AMER WELDING SOC
PI MIAMI
PA 550 N W LEJEUNE RD, MIAMI, FL 33126 USA
SN 0043-2296
J9 WELD J
JI Weld. J.
PD OCT
PY 2015
VL 94
IS 10
BP 313S
EP 325S
PG 13
WC Metallurgy & Metallurgical Engineering
SC Metallurgy & Metallurgical Engineering
GA CS8BA
UT WOS:000362309500019
ER
PT J
AU McFarland, J
Zhou, YY
Clarke, L
Sullivan, P
Colman, J
Jaglom, WS
Colley, M
Patel, P
Eom, J
Kim, SH
Kyle, GP
Schultz, P
Venkatesh, B
Haydel, J
Mack, C
Creason, J
AF McFarland, James
Zhou, Yuyu
Clarke, Leon
Sullivan, Patrick
Colman, Jesse
Jaglom, Wendy S.
Colley, Michelle
Patel, Pralit
Eom, Jiyon
Kim, Son H.
Kyle, G. Page
Schultz, Peter
Venkatesh, Boddu
Haydel, Juanita
Mack, Charlotte
Creason, Jared
TI Impacts of rising air temperatures and emissions mitigation on
electricity demand and supply in the United States: a multi-model
comparison (vol 131, pg 111, 2015)
SO CLIMATIC CHANGE
LA English
DT Correction
C1 [Zhou, Yuyu; Clarke, Leon; Patel, Pralit; Eom, Jiyon; Kim, Son H.; Kyle, G. Page] PNNL, Joint Global Change Res Inst, College Pk, MD USA.
[Jaglom, Wendy S.; Colley, Michelle; Schultz, Peter; Venkatesh, Boddu; Haydel, Juanita; Mack, Charlotte] ICF Int, Fairfax, VA USA.
[Sullivan, Patrick; Colman, Jesse] Natl Renewable Energy Lab, Golden, CO USA.
[McFarland, James; Creason, Jared] US EPA, Washington, DC 20460 USA.
RP McFarland, J (reprint author), US EPA, Washington, DC 20460 USA.
EM mcfarland.james@epa.gov
NR 1
TC 0
Z9 0
U1 2
U2 3
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 OCT
PY 2015
VL 132
IS 4
BP 739
EP 739
DI 10.1007/s10584-015-1452-9
PG 1
WC Environmental Sciences; Meteorology & Atmospheric Sciences
SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences
GA CS1CC
UT WOS:000361799100021
ER
PT J
AU Liu, J
Hertel, TW
Diffenbaugh, NS
Delgado, MS
Ashfaq, M
AF Liu, Jing
Hertel, Thomas W.
Diffenbaugh, Noah S.
Delgado, Michael S.
Ashfaq, Moetasim
TI Future property damage from flooding: sensitivities to economy and
climate change
SO CLIMATIC CHANGE
LA English
DT Article
ID TROPICAL CYCLONES; UNITED-STATES; LOSSES; PROJECTIONS; WEATHER
AB Recent trends in the frequency and intensity of extreme weather events have raised the concern that climate change could increase flooding risks and property damage. However, a major challenge in attributing and projecting changes in disaster risk is that damage is influenced not only by the physical climate hazard, but also by non-climatic factors that shape exposure and vulnerability. Recent assessments of integrated disaster risk have been hampered by the paucity of literature analyzing local-scale interactions between hazard, exposure and vulnerability in the historical record. Here we develop an integrated empirical analysis of historical flood damage that emphasizes spatial and temporal heterogeneity in flood hazard, economic exposure and social vulnerability. Using the Midwestern United States as a testbed, we show that annual property damage from flooding is projected to increase by 13 to 17.4 % over the next two decades. At the state level, over half of the increase is driven by projected growth in housing units. However, at the county level, the dominant factor causing future damage varies, emphasizing the value of a fully integrated, spatially and temporally resolved approach to assessing flooding risk and control strategies.
C1 [Liu, Jing; Hertel, Thomas W.; Delgado, Michael S.] Purdue Univ, Dept Agr Econ, W Lafayette, IN 47907 USA.
[Diffenbaugh, Noah S.] Stanford Univ, Dept Earth Syst Sci, Stanford, CA 94305 USA.
[Diffenbaugh, Noah S.] Stanford Univ, Woods Inst Environm, Stanford, CA 94305 USA.
[Ashfaq, Moetasim] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Liu, J (reprint author), Purdue Univ, Dept Agr Econ, 403 W State St, W Lafayette, IN 47907 USA.
EM liu207@purdue.edu
OI Liu, Jing/0000-0002-6258-0958
FU Program on Integrated Assessment Model Development, Diagnostics, and
Intercomparison (PIAMDDI) - US DOE [DE-SC0005171-001]; Regional and
Global Climate Modeling Program - DOE office of science
FX This work was supported by the Program on Integrated Assessment Model
Development, Diagnostics, and Intercomparison (PIAMDDI) funded by the US
DOE, award No. DE-SC0005171-001. Research conducted at Oak Ridge
National Laboratory was supported by the Regional and Global Climate
Modeling Program funded by the DOE office of science. The authors would
like to thank the anonymous reviewers for their helpful comments on the
manuscript.
NR 22
TC 1
Z9 1
U1 3
U2 28
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 OCT
PY 2015
VL 132
IS 4
BP 741
EP 749
DI 10.1007/s10584-015-1478-z
PG 9
WC Environmental Sciences; Meteorology & Atmospheric Sciences
SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences
GA CS1CC
UT WOS:000361799100022
ER
PT J
AU Fu, SF
Zhu, CZ
Zhou, YZ
Yang, GH
Jeon, JW
Lemmon, J
Du, D
Nune, SK
Lin, YH
AF Fu, Shaofang
Zhu, Chengzhou
Zhou, Yazhou
Yang, Guohai
Jeon, Ju-Won
Lemmon, John
Du, Dan
Nune, Satish K.
Lin, Yuehe
TI Metal-organic framework derived hierarchically porous nitrogen-doped
carbon nanostructures as novel electrocatalyst for oxygen reduction
reaction
SO ELECTROCHIMICA ACTA
LA English
DT Article
DE metal-organic framework; porous carbon; nitrogen doping;
electrocatalysis; oxygen reduction reaction
ID MICROBIAL FUEL-CELLS; RECENT PROGRESS; IRON PHTHALOCYANINE; CATHODE
CATALYST; FACILE SYNTHESIS; GRAPHENE OXIDE; DRUG-DELIVERY;
NANOMATERIALS; OXIDATION; PLATINUM
AB The hierarchically porous nitrogen-doped carbon materials, derived from nitrogen-containing isoreticular metal-organic framework-3 (IRMOF-3) through direct carbonization, exhibited excellent electrocatalytic activity in alkaline solution for oxygen reduction reaction (ORR). This high activity is attributed to the presence of high percentage of quaternary and pyridinic nitrogen, the high surface area as well as good conductivity. When IRMOF-3 was carbonized at 950 degrees C (CIRMOF-3-950), it showed four-electron reduction pathway for ORR and exhibited better stability (about 78.5% current density was maintained) than platinum/carbon (Pt/C) in the current durability test. In addition, CIRMOF-3-950 presented high selectivity to cathode reactions compared to commercial Pt/C. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Fu, Shaofang; Zhu, Chengzhou; Zhou, Yazhou; Yang, Guohai; Du, Dan; Lin, Yuehe] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.
[Jeon, Ju-Won; Lemmon, John; Nune, Satish K.; Lin, Yuehe] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA.
RP Nune, SK (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, 902 Battelle Blvd, Richland, WA 99354 USA.
EM satish.nune@pnnl.gov; yuehe.lin@wsu.edu
RI Lin, Yuehe/D-9762-2011; FU, SHAOFANG/D-2328-2016; Zhu,
Chengzhou/M-3566-2014;
OI Lin, Yuehe/0000-0003-3791-7587; FU, SHAOFANG/0000-0002-7871-6573; Zhu,
Chengzhou/0000-0003-0679-7965
FU WSU; Laboratory Directed Research and Development program at Pacific
Northwest National Laboratory (PNNL); Department of Energy's Office of
Biological and Environmental Research; DOE [DE-AC05-76RL01830]
FX This work was supported by a start-up grant from WSU and a Laboratory
Directed Research and Development program at Pacific Northwest National
Laboratory (PNNL). SEM characterization was performed at EMSL, a
national scientific user facility sponsored by the Department of
Energy's Office of Biological and Environmental Research, located at
PNNL. PNNL is a multiprogram national laboratory operated for DOE by
Battelle under Contract DE-AC05-76RL01830.
NR 39
TC 12
Z9 13
U1 21
U2 160
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0013-4686
EI 1873-3859
J9 ELECTROCHIM ACTA
JI Electrochim. Acta
PD OCT 1
PY 2015
VL 178
BP 287
EP 293
DI 10.1016/j.electacta.2015.08.021
PG 7
WC Electrochemistry
SC Electrochemistry
GA CR7VQ
UT WOS:000361560300034
ER
PT J
AU Wang, J
Mojumder, DK
Yan, J
Xie, A
Standaert, RF
Qian, HH
Pepperberg, DR
Frishman, LJ
AF Wang, Jing
Mojumder, Deb Kumar
Yan, Jun
Xie, An
Standaert, Robert F.
Qian, Haohua
Pepperberg, David R.
Frishman, Laura J.
TI In vivo electroretinographic studies of the role of GABA(C) receptors in
retinal signal processing
SO EXPERIMENTAL EYE RESEARCH
LA English
DT Article
DE Electroretinogram; GABA; GABA receptors; Retina; Retinal signaling
ID DARK-ADAPTED ELECTRORETINOGRAM; ROD BIPOLAR CELLS; SCOTOPIC THRESHOLD
RESPONSE; GAMMA-AMINOBUTYRIC-ACID; MOUSE RETINA; CAT RETINA; RAT RETINA;
B-WAVE; HORIZONTAL CELLS; TRANSMITTER RELEASE
AB All three classes of receptors for the inhibitory neurotransmitter GABA (GABAR) are expressed in the retina. This study investigated roles of GABAR, especially GABA(C)R (GABA(A)-rho), in retinal signaling in vivo by studying effects on the mouse electroretinogram (ERG) of genetic deletion of GABA(C)R versus pharmacological blockade using receptor antagonists. Brief full-field flash ERGs were recorded from anesthetized GABA(C)R(-/-) mice, and WT C57BL/6 (B6) mice, before and after intravitreal injection of GABA(C)R antagonists, TPMPA, 3-APMPA, or the more recently developed 2-AEMP; GABA(A)R antagonist, SR95531; GABA(B)R antagonist, CGP, and agonist, baclofen. Intravitreal injections of TPMPA and SR95531 were also made in Brown Norway rats. The effect of 2-AEMP on GABA-induced current was tested directly in isolated rat rod bipolar cells, and 2-AEMP was found to preferentially block GABA(C)R in those cells. Maximum amplitudes of dark (DA) and light-adapted (LA) ERG b-waves were reduced in GABA(C)R(-/-) mice, compared to B6 mice, by 30-60%; a-waves were unaltered and oscillatory potential amplitudes were increased. In B6 mice, after injection of TPMPA (also in rats), 3-APMPA or 2-AEMP, ERGs became similar to ERGs of GABA(C)R(-/-) mice. Blockade of GABA(A)Rs and GABA(B)Rs, or agonism of GABA(B)Rs did not alter B6 DA b-wave amplitude. The negative scotopic threshold response (nSTR) was slightly less sensitive in GABA(C)R(-/-) than in B6 mice, and unaltered by 2-AEMP. However, amplitudes of nSTR and photopic negative response (PhNR), both of which originate from inner retina, were enhanced by TPMPA and 3-APMPA, each of which has GABA(B) agonist properties, and further increased by baclofen. The finding that genetic deletion of GABA(C)R, the GABA(C)R antagonist 2-AEMP, and other antagonists all reduced ERG b-wave amplitude, supports a role for CABA(C)R in determining the maximum response amplitude of bipolar cells contributing to the b-wave. GABA(C)R antagonists differed in their effects on nSTR and PhNR; antagonists with GABA(B) agonist properties enhanced light-driven responses whereas 2-AEMP did not. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Wang, Jing; Mojumder, Deb Kumar; Frishman, Laura J.] Univ Houston, Coll Optometry, Houston, TX 77204 USA.
[Mojumder, Deb Kumar] Texas Tech Univ, Hlth Sci Ctr, Dept Neurol, Lubbock, TX 79430 USA.
[Yan, Jun; Standaert, Robert F.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
[Yan, Jun] Chengdu Kanghong Pharmaceut Co Ltd, Chengdu, Sichuan, Peoples R China.
[Xie, An; Qian, Haohua; Pepperberg, David R.] Univ Illinois, Illinois Eye & Ear Infirm, Dept Ophthalmol & Visual Sci, Lions Illinois Eye Res Inst, Chicago, IL 60612 USA.
[Xie, An] Brown Univ, Lifespan Cardiovasc Inst, Providence, RI 02906 USA.
[Xie, An] Brown Univ, Warren Alpert Sch Med, Providence, RI 02906 USA.
[Standaert, Robert F.] Univ Tennessee, Dept Biochem & Mol Cellular Biol, Knoxville, TN 37996 USA.
[Qian, Haohua] NEI, NIH, Bethesda, MD 20892 USA.
RP Frishman, LJ (reprint author), Univ Houston, Coll Optometry, 4901 Calhoun,505 J Davis Armistead, Houston, TX 77204 USA.
RI Standaert, Robert/D-9467-2013;
OI Standaert, Robert/0000-0002-5684-1322; Frishman,
Laura/0000-0002-4226-5109
FU Daniel F. and Ada L. Rice Foundation (Skokie, IL) [NIH EY06671, EY07551,
EY016094, EY001792]; Bright Focus Foundation (Clarksburg, MD); Research
to Prevent Blindness (New York, NY); Hope for Vision (Washington, DC);
University of Illinois at Chicago Center for Clinical and Translational
Science (CCTS) [UL1RR029879]
FX NIH EY06671, EY07551, EY016094, EY001792 Daniel F. and Ada L. Rice
Foundation (Skokie, IL); Bright Focus Foundation (formerly the American
Health Assistance Foundation) (Clarksburg, MD); Research to Prevent
Blindness (New York, NY); Hope for Vision (Washington, DC); and Award
UL1RR029879 from the University of Illinois at Chicago Center for
Clinical and Translational Science (CCTS).
NR 58
TC 2
Z9 2
U1 3
U2 9
PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD
PI LONDON
PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND
SN 0014-4835
EI 1096-0007
J9 EXP EYE RES
JI Exp. Eye Res.
PD OCT
PY 2015
VL 139
BP 48
EP 63
DI 10.1016/j.exer.2015.07.002
PG 16
WC Ophthalmology
SC Ophthalmology
GA CS0VW
UT WOS:000361781300005
PM 26164072
ER
PT J
AU Liu, FL
Liu, Y
Smith, DL
Ruden, PP
AF Liu, Feilong
Liu, Yue
Smith, Darryl L.
Ruden, P. Paul
TI Device Model for Graphene Spin Valves
SO IEEE TRANSACTIONS ON ELECTRON DEVICES
LA English
DT Article
DE Magnetoresistance (MR); semiconductor device modeling; spin valves
ID ROOM-TEMPERATURE; GIANT-MAGNETORESISTANCE; SPINTRONICS; INJECTION;
ACCUMULATION; PRECESSION
AB A 1-D drift-diffusion device model for graphene spin valves is presented. The model describes properly the electronic and the spintronic properties, such as electrostatics, charge and spin injection, transport, spin relaxation, spin-current profiles, and bias-dependent magnetoresistance. The model calculations agree qualitatively with relevant experimental results, and provide physical insight.
C1 [Liu, Feilong; Liu, Yue; Ruden, P. Paul] Univ Minnesota, Dept Elect & Comp Engn, Minneapolis, MN 55455 USA.
[Smith, Darryl L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Liu, FL (reprint author), Univ Minnesota, Dept Elect & Comp Engn, Minneapolis, MN 55455 USA.
EM liux0756@umn.edu; liux1387@umn.edu; dsmith@lanl.gov; ruden@umn.edu
OI Liu, Feilong/0000-0002-8638-2294; Liu, Yue/0000-0002-0256-450X
FU U.S. Defense Advanced Research Projects Agency [FA2386-11-1-4058]
FX This work was supported by the U.S. Defense Advanced Research Projects
Agency under Grant FA2386-11-1-4058. The review of this paper was
arranged by Editor G. L. Snider.
NR 45
TC 2
Z9 2
U1 5
U2 25
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0018-9383
EI 1557-9646
J9 IEEE T ELECTRON DEV
JI IEEE Trans. Electron Devices
PD OCT
PY 2015
VL 62
IS 10
BP 3426
EP 3432
DI 10.1109/TED.2015.2464793
PG 7
WC Engineering, Electrical & Electronic; Physics, Applied
SC Engineering; Physics
GA CR9NP
UT WOS:000361684000046
ER
PT J
AU Agalgaonkar, YP
Pal, BC
Jabr, RA
AF Agalgaonkar, Yashodhan P.
Pal, Bikash C.
Jabr, Rabih A.
TI Stochastic Distribution System Operation Considering Voltage Regulation
Risks in the Presence of PV Generation
SO IEEE TRANSACTIONS ON SUSTAINABLE ENERGY
LA English
DT Article
DE Distribution voltage control; photovoltaic (PV) forecast errors; voltage
regulator (VR) runaway
ID REACTIVE POWER-CONTROL; LOAD FLOW; ALGORITHM
AB Variable over voltage, excessive tap counts, and voltage regulator (VR) runaway condition are major operational challenges in distribution network while accommodating generation from photovoltaics (PVs). The conventional approach to achieve voltage control based on offline simulation for voltage set point calculation does not consider forecast errors. In this work, a stochastic optimal voltage control strategy is proposed while considering load and irradiance forecast errors. Stochastic operational risks such as overvoltage and VR runaway are defined through a chance constrained optimization (CCO) problem. This classical formulation to mitigate runaway is further improved by introducing a stochastic index called the Tap Tail Expectation. Operational objectives such as power losses and excessive tap count minimization are considered in the formulation. A sampling approach is proposed to solve the CCO. Along with other voltage control devices, the PV inverter voltage support features are coordinated. The simulation study is performed using a realistic distribution system model and practically measured irradiance to demonstrate the effectiveness of the proposed technique. The proposed approach is a useful operational procedure for distribution system operators. The approach can minimize feeder power losses, avoid voltage violations, and alleviate VR runaway.
C1 [Agalgaonkar, Yashodhan P.; Pal, Bikash C.] Univ London Imperial Coll Sci Technol & Med, Dept Elect & Elect Engn, London SW7 2AZ, England.
[Jabr, Rabih A.] Amer Univ Beirut, Dept Elect & Comp Engn, Beirut 11072020, Lebanon.
RP Agalgaonkar, YP (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA.
EM yashodhan.imperial@gmail.com; b.pal@imperial.ac.uk;
rabih.jabr@aub.edu.lb
RI Jabr, Rabih/G-6392-2014;
OI Jabr, Rabih/0000-0003-2794-9753; Agalgaonkar,
Yashodhan/0000-0002-9006-1848
FU U.K.-India initiative in solar energy through a project "Stability and
Performance of Photovoltaic (STAPP)" - Research Councils U.K. (RCUK)
Energy Programme in U.K. [EP/H040331/1]; Department of Science and
Technology (DST) in India
FX This work was supported in part by U.K.-India initiative in solar energy
through a project "Stability and Performance of Photovoltaic (STAPP)"
funded by Research Councils U.K. (RCUK) Energy Programme in U.K.
(Contract EP/H040331/1) and in part by the Department of Science and
Technology (DST) in India. Paper no. TSTE-00467-2014.
NR 35
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 1949-3029
J9 IEEE T SUSTAIN ENERG
JI IEEE Trans. Sustain. Energy
PD OCT
PY 2015
VL 6
IS 4
BP 1315
EP 1324
DI 10.1109/TSTE.2015.2433794
PG 10
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Electrical & Electronic
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA CR9MS
UT WOS:000361680800015
ER
PT J
AU Wang, XZ
Chiang, HD
Wang, JH
Liu, H
Wang, T
AF Wang, Xiaozhe
Chiang, Hsiao-Dong
Wang, Jianhui
Liu, Hui
Wang, Tao
TI Long-Term Stability Analysis of Power Systems With Wind Power Based on
Stochastic Differential Equations: Model Development and Foundations
SO IEEE TRANSACTIONS ON SUSTAINABLE ENERGY
LA English
DT Article
DE Power system dynamics; power system stability; stochastic differential
equations (SDEs); sufficient conditions; wind power
ID SINGULAR PERTURBATION-THEORY; TRANSIENT STABILITY
AB In this paper, the variable wind power is incorporated into the dynamic model for long-term stability analysis. A theory-based method is proposed for power systems with wind power to conduct long-term stability analysis, which is able to provide accurate stability assessments with fast simulation speed. Particularly, the theoretical foundation for the proposed approximation approach is presented. The accuracy and efficiency of the method are illustrated by several numerical examples.
C1 [Wang, Xiaozhe] MIT, Dept Mech Engn, Cambridge, MA 02138 USA.
[Chiang, Hsiao-Dong; Wang, Tao] Cornell Univ, Sch Elect & Comp Engn, Ithaca, NY 14853 USA.
[Wang, Jianhui] Argonne Natl Lab, Ctr Energy Environm & Econ Syst Anal, Argonne, IL 60439 USA.
[Liu, Hui] Jiangsu Univ, Sch Elect & Informat Engn, Zhenjiang 212013, Peoples R China.
RP Wang, XZ (reprint author), MIT, Dept Mech Engn, Cambridge, MA 02138 USA.
EM xw264@cornell.edu; hc63@cornell.edu; jianhui.wang@anl.gov;
hughlh@126.com; tw355@cornell.edu
FU U.S. Department of Energy Office of Electricity Delivery and Energy
Reliability
FX The work of X. Wang and J. Wang was supported in part by the U.S.
Department of Energy Office of Electricity Delivery and Energy
Reliability. Paper no. TSTE-00205-2015.
NR 33
TC 1
Z9 1
U1 2
U2 9
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1949-3029
J9 IEEE T SUSTAIN ENERG
JI IEEE Trans. Sustain. Energy
PD OCT
PY 2015
VL 6
IS 4
BP 1534
EP 1542
DI 10.1109/TSTE.2015.2454333
PG 9
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Electrical & Electronic
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA CR9MS
UT WOS:000361680800037
ER
PT J
AU Munoz, FD
Mills, AD
AF Munoz, Francisco D.
Mills, Andrew D.
TI Endogenous Assessment of the Capacity Value of Solar PV in Generation
Investment Planning Studies
SO IEEE TRANSACTIONS ON SUSTAINABLE ENERGY
LA English
DT Article
DE Approximation techniques; capacity value; generation planning; installed
reserve margin; solar
ID GENERALIZED BENDERS DECOMPOSITION; LOAD-CARRYING CAPABILITY;
ELECTRIC-POWER SYSTEMS; WIND-POWER; COST; TRANSMISSION; APPROXIMATIONS;
OPTIMIZATION
AB There exist several different reliability-and approximation-based methods to determine the contribution of solar resources toward resource adequacy. However, most of these approaches require knowing in advance the installed capacities of both conventional and solar generators. This is a complication since generator capacities are actually decision variables in capacity planning studies. In this paper, we study the effect of time resolution and solar PV penetration using a planning model that accounts for the full distribution of generator outages and solar resource variability. We also describe a modification of a standard deterministic planning model that enforces a resource adequacy target through a reserve margin constraint. Our numerical experiments show that at least 50 days worth of data are necessary to approximate the results of the full-resolution model with a maximum error of 2.5% on costs and capacity. We also show that the amount of displaced capacity of conventional generation decreases rapidly as the penetration of solar PV increases. We find that using an exogenously defined and constant capacity value based on time-series data can yield relatively accurate results for small penetration levels. For higher penetration levels, the modified deterministic planning model better captures avoided costs and the decreasing value of solar PV.
C1 [Munoz, Francisco D.] Univ Adolfo Ibanez, Fac Sci & Engn, Ind Engn & Operat Grp IE&O, Santiago 7910000, Chile.
[Munoz, Francisco D.] Sandia Natl Labs, Dept Discrete Math & Optimizat, Albuquerque, NM 87185 USA.
[Mills, Andrew D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Elect Markets & Policy Grp, Berkeley, CA 94720 USA.
RP Munoz, FD (reprint author), Univ Adolfo Ibanez, Fac Sci & Engn, Ind Engn & Operat Grp IE&O, Santiago 7910000, Chile.
EM fdmunoz@uai.cl; admills@lbl.gov
RI FONDAP, SERC Chile/A-9133-2016; Mills, Andrew/B-3469-2016
OI Mills, Andrew/0000-0002-9065-0458
FU U.S. Department of Energy (DOE) Solar Energy Technologies Office as part
of the DOE SunShot Initiative; U.S. Department of Energy's National
Nuclear Security Administration [DE-AC04-94-AL85000];
[CONICYT/FONDAP/15110019]
FX This work was supported by the U.S. Department of Energy (DOE) Solar
Energy Technologies Office as part of the DOE SunShot Initiative and
CONICYT/FONDAP/15110019 (SERC-CHILE). 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-AC04-94-AL85000. Paper no. TSTE-00081-2015.
NR 69
TC 4
Z9 4
U1 2
U2 5
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1949-3029
J9 IEEE T SUSTAIN ENERG
JI IEEE Trans. Sustain. Energy
PD OCT
PY 2015
VL 6
IS 4
BP 1574
EP 1585
DI 10.1109/TSTE.2015.2456019
PG 12
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Electrical & Electronic
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA CR9MS
UT WOS:000361680800041
ER
PT J
AU Alshibli, KA
Druckrey, AM
Al-Raoush, RI
Weiskittel, T
Lavrik, NV
AF Alshibli, Khalid A.
Druckrey, Andrew M.
Al-Raoush, Riyadh I.
Weiskittel, Taylor
Lavrik, Nickolay V.
TI Quantifying Morphology of Sands Using 3D Imaging
SO JOURNAL OF MATERIALS IN CIVIL ENGINEERING
LA English
DT Article
DE Surface roughness; Sphericity; Roundness; Shape; Sand; Granular
materials; Friction; Microscopic analysis; Three-dimensional (3D);
Synchrotron computed tomography
ID TEXTURE CLASSIFICATION; GRANULAR-MATERIALS; SHAPE; MICROSCOPY;
PARTICLES; ROUGHNESS; ROUNDNESS; VOLUME
AB Particle morphology plays a significant role in influencing engineering behavior of granular materials. Surface texture, roundness, and sphericity represent distinct multiscale measures needed to fully describe particle morphology. Most studies reported in the literature rely on two-dimensional (2D) projected images of particles with a few three-dimensional (3D) images that mostly focused on relatively large-size aggregate samples. In this paper, 3D synchrotron microcomputed tomography (SMT) was used to acquire high-resolution images of glass beads, F-35 Ottawa sand, #1 dry glass sand, GS#40 Columbia sand, Toyoura sand, and Hostun RF sand. New roundness and sphericity indexes are proposed and calculated for the samples based on 3D measurements of surface area, volume, and three orthogonal diameters of particles. In addition, the surface texture of particles were measured using optical interferometry technique. The measurements reported in this paper can serve as a good source for other researchers working on sands to build on these intrinsic particle properties to link engineering behavior of sands to their morphology. (C) 2014 American Society of Civil Engineers.
C1 [Alshibli, Khalid A.; Druckrey, Andrew M.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA.
[Al-Raoush, Riyadh I.] Qatar Univ, Dept Civil & Architectural Engn, Doha, Qatar.
[Weiskittel, Taylor] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Lavrik, Nickolay V.] Oak Ridge Natl Lab, CNMS Nanofabricat Res Lab, Oak Ridge, TN 37831 USA.
RP Alshibli, KA (reprint author), Univ Tennessee, Dept Civil & Environm Engn, 325 John Tickle Bldg, Knoxville, TN 37996 USA.
EM Alshibli@utk.edu; adruckre@utk.edu; Riyadh@qu.edu.qa; tweiski1@utk.edu;
lavriknv@ornl.gov
RI Lavrik, Nickolay/B-5268-2011;
OI Lavrik, Nickolay/0000-0002-9543-5634; Weiskittel,
Taylor/0000-0003-3682-0628
FU National Science Foundation [CMMI-1266230]; GeoSoilEnviroCARS (Sector
13); National Science Foundation, Earth Sciences [EAR-1128799]; U.S.
Department of Energy (DOE), Geosciences [DE-FG02-94ER14466]; DOE
[DE-AC02-06CH11357]; Scientific User Facilities Division, Office of
Basic Energy Sciences, U.S. Department of Energy
FX This material is based on work supported by the National Science
Foundation under Grant No. CMMI-1266230. 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. The SMT images presented in this paper were
collected using the X-ray Operations and Research Beamline Station
13-BMD at Argonne Photon Source (APS), Argonne National Laboratory. We
thank Dr. Mark Rivers of APS for help in performing the SMT scans. We
also acknowledge the support of GeoSoilEnviroCARS (Sector 13), which is
supported by the National Science Foundation, Earth Sciences
(EAR-1128799), and the U.S. Department of Energy (DOE), Geosciences
(DE-FG02-94ER14466). Use of the Advanced Photon Source, an Office of
Science User Facility operated for the DOE Office of Science by Argonne
National Laboratory, was supported by DOE under Contract No.
DE-AC02-06CH11357. Surface texture measurements were conducted at the
Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge
National Laboratory by the Scientific User Facilities Division, Office
of Basic Energy Sciences, U.S. Department of Energy.
NR 34
TC 2
Z9 2
U1 1
U2 12
PU ASCE-AMER SOC CIVIL ENGINEERS
PI RESTON
PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA
SN 0899-1561
EI 1943-5533
J9 J MATER CIVIL ENG
JI J. Mater. Civ. Eng.
PD OCT
PY 2015
VL 27
IS 10
AR 04014275
DI 10.1061/(ASCE)MT.1943-5533.0001246
PG 10
WC Construction & Building Technology; Engineering, Civil; Materials
Science, Multidisciplinary
SC Construction & Building Technology; Engineering; Materials Science
GA CS0JL
UT WOS:000361745200018
ER
PT J
AU Thompson, AW
Crow, MJ
Wadey, B
Arens, C
Turkarslan, S
Stolyar, S
Elliott, N
Petersen, TW
van den Engh, G
Stahl, DA
Baliga, NS
AF Thompson, Anne W.
Crow, Matthew J.
Wadey, Brian
Arens, Christina
Turkarslan, Serdar
Stolyar, Sergey
Elliott, Nicholas
Petersen, Timothy W.
van den Engh, Ger
Stahl, David A.
Baliga, Nitin S.
TI A method to analyze, sort, and retain viability of obligate anaerobic
microorganisms from complex microbial communities
SO JOURNAL OF MICROBIOLOGICAL METHODS
LA English
DT Article
DE Anaerobic microorganism; Flow cytometry; Controlled-environment sorting;
Single cells
ID DESULFOVIBRIO-VULGARIS; EVOLUTION; MUTUALISM; GROWTH
AB A high speed flow cytometric cell sorter was modified to maintain a controlled anaerobic environment. This technology enabled coupling of the precise high-throughput analytical and cell separation capabilities of flow cytometry to the assessment of cell viability of evolved lineages of obligate anaerobic organisms from cocultures. (C) 2015 The Authors. 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 [Thompson, Anne W.; Arens, Christina; Turkarslan, Serdar; Stolyar, Sergey; Baliga, Nitin S.] Inst Syst Biol, Seattle, WA 98109 USA.
[Crow, Matthew J.; Wadey, Brian; Petersen, Timothy W.] Adv Cytometry Grp, BD Biosci, Seattle, WA USA.
[Elliott, Nicholas; Stahl, David A.] Univ Washington, Dept Civil & Environm Engn, Seattle, WA 98195 USA.
[van den Engh, Ger] Ctr Marine Cytometry, Birdsview, WA 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 Washington, Mol & Cellular Biol Program, Seattle, WA 98195 USA.
[Baliga, Nitin S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Thompson, AW (reprint author), Inst Syst Biol, Seattle, WA 98109 USA.
EM athompso@systemsbiology.org
FU ENIGMA - Ecosystems and Networks Integrated with Genes and Molecular
Assemblies, a Scientific Focus Area at Lawrence Berkeley National
Laboratory by the U.S. Department of Energy, Office of Science, Office
of Biological & Environmental Research [DE-AC02-05CH11231]; National
Institutes of Health [2P50GM076547]
FX Support was provided by ENIGMA - Ecosystems and Networks Integrated with
Genes and Molecular Assemblies (http://enigma.lbl.gov), a Scientific
Focus Area at Lawrence Berkeley National Laboratory under contract
number DE-AC02-05CH11231 by the U.S. Department of Energy, Office of
Science, Office of Biological & Environmental Research and the National
Institutes of Health through award 2P50GM076547.
NR 16
TC 0
Z9 0
U1 2
U2 9
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0167-7012
EI 1872-8359
J9 J MICROBIOL METH
JI J. Microbiol. Methods
PD OCT
PY 2015
VL 117
BP 74
EP 77
DI 10.1016/j.mimet.2015.07.009
PG 4
WC Biochemical Research Methods; Microbiology
SC Biochemistry & Molecular Biology; Microbiology
GA CS1XA
UT WOS:000361861000014
PM 26187776
ER
PT J
AU Twagirayezu, S
Cich, MJ
Sears, TJ
McRaven, CP
Hall, GE
AF Twagirayezu, Sylvestre
Cich, Matthew J.
Sears, Trevor J.
McRaven, Christopher P.
Hall, Gregory E.
TI Frequency-comb referenced spectroscopy of v(4)- and v(5)-excited hot
bands in the 1.5 mu m spectrum of C2H2
SO JOURNAL OF MOLECULAR SPECTROSCOPY
LA English
DT Article
DE Acetylene; Vibrational spectroscopy; Energy levels; Frequency comb;
Perturbations; Sub-Doppler spectroscopy; Lamb dip
ID VIBRATION-ROTATION ANALYSIS; ABSORPTION-SPECTRUM; BENDING VIBRATIONS;
ACETYLENE; (C2H2)-C-12; ABUNDANCES; PROFILES; DATABASE; REGION; CM(-1)
AB Doppler-free transition frequencies for v(4)- and v(5)-excited hot bands have been measured in the v(1) + v(3) band region of the spectrum of acetylene using saturation dip spectroscopy with an extended cavity diode laser referenced to a frequency comb. The frequency accuracy of the measured transitions, as judged from line shape model fits and comparison to known frequencies in the v(1) + v(3) band itself, is between 3 and 22 kHz. This is some three orders of magnitude improvement on the accuracy and precision of previous line position estimates that were derived from the analysis of high-resolution Fourier transform infrared absorption spectra. Comparison to transition frequencies computed from constants derived from published Fourier transform infrared spectra shows that some upper rotational energy levels suffer specific perturbations causing energy level shifts of up to several hundred MHz. These perturbations are due to energy levels of the same rotational quantum number derived from nearby vibrational levels that become degenerate at specific energies. Future identification of the perturbing levels will provide accurate relative energies of excited vibrational levels of acetylene in the 7100-7600 cm(-1) energy region. (C) 2015 Elsevier Inc. All rights reserved.
C1 [Twagirayezu, Sylvestre; Sears, Trevor J.; McRaven, Christopher P.; Hall, Gregory E.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
[Cich, Matthew J.; Sears, Trevor J.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
RP Sears, TJ (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM sears@bnl.gov
RI Sears, Trevor/B-5990-2013; Hall, Gregory/D-4883-2013; Twagirayezu,
Sylvestre/Q-4651-2016
OI Sears, Trevor/0000-0002-5559-0154; Hall, Gregory/0000-0002-8534-9783;
FU Division of Chemical Sciences, Geosciences and Biosciences within
Offices of Basic Energy Sciences, Office of Sciences, U.S. Department of
Energy [DE-AC02-98CH10886, DE-SC00012704]
FX Work at Brookhaven National Laboratory is funded by the Division of
Chemical Sciences, Geosciences and Biosciences within the Offices of
Basic Energy Sciences, Office of Sciences, U.S. Department of Energy
under Contract Nos. DE-AC02-98CH10886 and DE-SC00012704. We are most
grateful to Prof. M. Herman (U. Bruxelles) and Prof. D.S. Perry (U. of
Akron) for providing us with detailed results from their work and
helpful discussions. We also thank Dr. D. Forthomme (BNL) for many
helpful suggestions.
NR 38
TC 6
Z9 6
U1 1
U2 13
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0022-2852
EI 1096-083X
J9 J MOL SPECTROSC
JI J. Mol. Spectrosc.
PD OCT
PY 2015
VL 316
BP 64
EP 71
DI 10.1016/j.jms.2015.06.010
PG 8
WC Physics, Atomic, Molecular & Chemical; Spectroscopy
SC Physics; Spectroscopy
GA CR8ZY
UT WOS:000361644200009
ER
PT J
AU Miller, NJ
McGowan, TK
AF Miller, Naomi J.
McGowan, Terry K.
TI Correspondence: Glare in pedestrian-friendly outdoor lighting
SO LIGHTING RESEARCH & TECHNOLOGY
LA English
DT Letter
C1 [Miller, Naomi J.] Pacific NW Natl Lab, Portland, OR 97204 USA.
[McGowan, Terry K.] Lighting Ideas, Cleveland Hts, OH USA.
RP Miller, NJ (reprint author), Pacific NW Natl Lab, Portland, OR 97204 USA.
NR 0
TC 0
Z9 0
U1 1
U2 7
PU SAGE PUBLICATIONS LTD
PI LONDON
PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND
SN 1477-1535
EI 1477-0938
J9 LIGHTING RES TECHNOL
JI Lighting Res. Technol.
PD OCT
PY 2015
VL 47
IS 6
BP 760
EP 762
DI 10.1177/1477153515602199
PG 3
WC Construction & Building Technology; Optics
SC Construction & Building Technology; Optics
GA CS0PT
UT WOS:000361765000011
ER
PT J
AU Wang, Z
Gao, MC
Ma, SG
Yang, HJ
Wang, ZH
Ziomek-Moroz, M
Qiao, JW
AF Wang, Z.
Gao, M. C.
Ma, S. G.
Yang, H. J.
Wang, Z. H.
Ziomek-Moroz, M.
Qiao, J. W.
TI Effect of cold rolling on the microstructure and mechanical properties
of Al0.25CoCrFe1.25Ni1.25 high-entropy alloy
SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES
MICROSTRUCTURE AND PROCESSING
LA English
DT Article
DE High-entropy alloys; Cold-rolling; Mechanical characterization;
Fracture; CALPHAD
ID MULTIPRINCIPAL ELEMENTS; PHASE-STABILITY; TENSILE; AL0.5COCRCUFENI;
SYSTEM; STEEL; RECRYSTALLIZATION; BEHAVIORS; EVOLUTION; TEXTURE
AB Cold rolling can break down the as-cast dendrite microstructure and thus may have pronounced impact on the mechanical behavior of the alloy. In the present study, the effect of cold rolling on the microstructure and mechanical properties of Al0.25CoCrFe1.25Ni1.25 high-entropy alloy in the face-centered cubic structure was investigated. With increasing the thickness reduction from cold rolling, the hardness, the yield strength, and the fracture strength increased at the cost of reducing ductility. At the thickness reduction of 80%, the tensile strength (hardness) was 702 MPa (406 MPa), 1.62 (2.43) times that in the as-cast condition. Compared to traditional alloys, Al0.25CoCrFe1.25Ni1.25 has the highest hardening rate with respect to CR thickness reduction. The phase relation and the mixing properties of Gibbs free energy, enthalpy and entropy of AlxCoCrFe1.25Ni1.25 were predicted using the CALPHAD method. Crown Copyright (C) 2015 Published by Elsevier B.V. All rights reserved.
C1 [Wang, Z.; Yang, H. J.; Qiao, J. W.] Taiyuan Univ Technol, Coll Mat Sci & Engn, Lab Appl Phys & Mech Adv Mat, Taiyuan 030024, Peoples R China.
[Wang, Z.; Qiao, J. W.] Taiyuan Univ Technol, Minist Educ, Key Lab Interface Sci & Engn Adv Mat, Taiyuan 030024, Peoples R China.
[Gao, M. C.; Ziomek-Moroz, M.] Natl Energy Technol Lab, Albany, OR 97321 USA.
[Gao, M. C.] AECOM Corp, Albany, OR 97321 USA.
[Ma, S. G.; Wang, Z. H.] Taiyuan Univ Technol, Inst Appl Mech & Biomed Engn, Taiyuan 030024, Peoples R China.
RP Qiao, JW (reprint author), Taiyuan Univ Technol, Coll Mat Sci & Engn, Lab Appl Phys & Mech Adv Mat, Taiyuan 030024, Peoples R China.
EM qiaojunwei@gmail.com
FU National Natural Science Foundation of China [51371122, 51401141,
11390362]; Program for the Innovative Talents of Higher Learning
Institutions of Shanxi; Youth Natural Science Foundation of Shanxi
Province, China [2015021005, 2014021017-3]; State Key Lab of Advanced
Metals and Materials [2013-Z03]; Cross-Cutting Technologies Program of
the National Energy Technology Laboratory's (NEIL) under the RES
[DE-FE-0004000]
FX J.W.Q. would like to acknowledge the financial support of National
Natural Science Foundation of China (No. 51371122), Program for the
Innovative Talents of Higher Learning Institutions of Shanxi (2013), and
the Youth Natural Science Foundation of Shanxi Province, China (No.
2015021005). H.J.Y. would like to acknowledge the financial support from
the National Natural Science Foundation of China (No. 51401141), State
Key Lab of Advanced Metals and Materials (No. 2013-Z03), and the Youth
Natural Science Foundation of Shanxi Province, China (No. 2014021017-3).
Z. H.W. would like to acknowledge the National Natural Science
Foundation of China (Grant no. 11390362). M.C.G. acknowledges the
support of the Cross-Cutting Technologies Program of the National Energy
Technology Laboratory's (NEIL) under the RES contract DE-FE-0004000 and
Jeff Hawk for discussions on high entropy alloys.
NR 37
TC 3
Z9 3
U1 6
U2 34
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0921-5093
EI 1873-4936
J9 MAT SCI ENG A-STRUCT
JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process.
PD OCT 1
PY 2015
VL 645
BP 163
EP 169
DI 10.1016/j.msea.2015.07.088
PG 7
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Metallurgy & Metallurgical Engineering
SC Science & Technology - Other Topics; Materials Science; Metallurgy &
Metallurgical Engineering
GA CR8DS
UT WOS:000361581900020
ER
PT J
AU Henderson, HB
Rios, O
Ludtka, GM
Manuel, MV
AF Henderson, Hunter B.
Rios, Orlando
Ludtka, Gerard M.
Manuel, Michele V.
TI Investigation and Analytical Description of Acoustic Production by
Magneto-Acoustic Mixing Technology
SO METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND
MATERIALS PROCESSING SCIENCE
LA English
DT Article
ID ELECTROMAGNETIC VIBRATION TECHNIQUE; STATIONARY MAGNETIC-FIELDS; AZ91D
MAGNESIUM ALLOYS; ALUMINUM-ALLOYS; MATRIX NANOCOMPOSITES; CAVITATION
BUBBLES; LIGHT ALLOYS; SOLIDIFICATION; FREQUENCY; DYNAMICS
AB Magneto-Acoustic Mixing Technology is a novel manufacturing method that combines two magnetic fields to produce high-intensity sonication for liquid-state materials processing. This method may be adapted to the manufacture of various materials that benefit from a combination of high temperature, magnetic fields, and acoustic energy. In this work, acoustic generation mechanisms are described in detail and found to be dependent on the skin depth of the induction currents. Analytical models of acoustic pressure are derived, based on two mutually exclusive vibration mechanisms, crucible and melt vibration. Additionally, grain size evidence of acoustic pressure distribution is presented as preliminary model validation.
C1 [Henderson, Hunter B.; Manuel, Michele V.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA.
[Rios, Orlando] Oak Ridge Natl Lab, Deposit Sci Grp, Oak Ridge, TN USA.
[Rios, Orlando] Univ Tennessee, Oak Ridge Natl Lab, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Ludtka, Gerard M.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN USA.
RP Manuel, MV (reprint author), Univ Florida, Dept Mat Sci & Engn, 100 Rhines Hall,POB 116400, Gainesville, FL 32611 USA.
EM mmanuel@mse.ufl.edu
RI Rios, Orlando/E-6856-2017
OI Rios, Orlando/0000-0002-1814-7815
FU Advanced Manufacturing Office (AMO) in the Office of Energy Efficiency
and Renewable Energy (EERE), as part of the Department of Energy (DOE);
National Science Foundation [DMR-0845868]; U.S. Department of Energy,
Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing
Office [DE-AC05-00OR22725]; UT-Battelle, LLC.
FX The authors would like to thank Dr. Zachary L Bryan for his experimental
support and Professors Curtis Taylor and Simon Phillpot for their
thoughtful comments. The authors acknowledge support by the Advanced
Manufacturing Office (AMO) in the Office of Energy Efficiency and
Renewable Energy (EERE), as part of the Department of Energy (DOE).
Facilities were provided by the Manufacturing Demonstration Facility
(MDF) at Oak Ridge National Laboratory (ORNL). This material is based
upon work supported by the National Science Foundation under grant
numbers DMR-0845868. The research sponsored was in part by the U.S.
Department of Energy, Office of Energy Efficiency and Renewable Energy,
Advanced Manufacturing Office, under contract DE-AC05-00OR22725 with
UT-Battelle, LLC.
NR 56
TC 0
Z9 0
U1 0
U2 4
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1073-5615
EI 1543-1916
J9 METALL MATER TRANS B
JI Metall. Mater. Trans. B-Proc. Metall. Mater. Proc. Sci.
PD OCT
PY 2015
VL 46
IS 5
BP 2020
EP 2027
DI 10.1007/s11663-015-0359-1
PG 8
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CR7VD
UT WOS:000361558700004
ER
PT J
AU Wan, Y
Guo, Z
Zhu, T
Yan, SX
Johnson, J
Huang, LB
AF Wan, Yan
Guo, Zhi
Zhu, Tong
Yan, Suxia
Johnson, Justin
Huang, Libai
TI Cooperative singlet and triplet exciton transport in tetracene crystals
visualized by ultrafast microscopy
SO NATURE CHEMISTRY
LA English
DT Article
ID ORGANIC SEMICONDUCTORS; ENERGY-TRANSFER; ANTHRACENE-CRYSTALS; DIFFUSION
LENGTH; FISSION; DYNAMICS; FILMS; FLUORESCENCE; ANNIHILATION; YIELD
AB Singlet fission presents an attractive solution to overcome the Shockley-Queisser limit by generating two triplet excitons from one singlet exciton. However, although triplet excitons are long-lived, their transport occurs through a Dexter transfer, making them slower than singlet excitons, which travel by means of a Forster mechanism. A thorough understanding of the interplay between singlet fission and exciton transport is therefore necessary to assess the potential and challenges of singlet-fission utilization. Here, we report a direct visualization of exciton transport in single tetracene crystals using transient absorption microscopy with 200 fs time resolution and 50 nm spatial precision. These measurements reveal a new singlet-mediated transport mechanism for triplets, which leads to an enhancement in effective triplet exciton diffusion of more than one order of magnitude on picosecond to nanosecond timescales. These results establish that there are optimal energetics of singlet and triplet excitons that benefit both singlet fission and exciton diffusion.
C1 [Wan, Yan; Zhu, Tong; Huang, Libai] Purdue Univ, Dept Chem, W Lafayette, IN 47907 USA.
[Guo, Zhi; Yan, Suxia] Univ Notre Dame, Radiat Lab, Notre Dame, IN 46556 USA.
[Johnson, Justin] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Huang, LB (reprint author), Purdue Univ, Dept Chem, W Lafayette, IN 47907 USA.
EM libai-huang@purdue.edu
RI Guo, Zhi/E-3405-2015
FU Purdue University; Division of Chemical Sciences, Geosciences and
Biosciences, Office of Basic Energy Sciences of the US Department of
Energy [DE-FC02-04ER15533, DE-AC36-08GO28308]
FX L.H. acknowledges start-up funding from Purdue University. The authors
acknowledge the Division of Chemical Sciences, Geosciences and
Biosciences, Office of Basic Energy Sciences of the US Department of
Energy for funding work carried out at the Radiation Laboratory at the
University of Notre Dame and at National Renewable Energy Laboratory
under grant no. DE-FC02-04ER15533 and DE-AC36-08GO28308, respectively.
The authors thank J. Parkhill for discussions and J. Mei for the TIPS
pentacene sample.
NR 50
TC 31
Z9 31
U1 27
U2 118
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1755-4330
EI 1755-4349
J9 NAT CHEM
JI Nat. Chem.
PD OCT
PY 2015
VL 7
IS 10
BP 785
EP 792
DI 10.1038/NCHEM.2348
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA CS0MC
UT WOS:000361753200007
PM 26391077
ER
PT J
AU Kalinin, SV
Sumpter, BG
Archibald, RK
AF Kalinin, Sergei V.
Sumpter, Bobby G.
Archibald, Richard K.
TI Big-deep-smart data in imaging for guiding materials design
SO NATURE MATERIALS
LA English
DT Article
ID ELECTRON-MICROSCOPY; QUANTUM-CHEMISTRY; INVERSE PROBLEMS;
QUASI-CRYSTALS; RESOLUTION; SUPERCONDUCTIVITY; POLARIZATION; PRECISION;
NETWORKS; SCIENCE
AB Harnessing big data, deep data, and smart data from state-of-the-art imaging might accelerate the design and realization of advanced functional materials. Here we discuss new opportunities in materials design enabled by the availability of big data in imaging and data analytics approaches, including their limitations, in material systems of practical interest. We specifically focus on how these tools might help realize new discoveries in a timely manner. Such methodologies are particularly appropriate to explore in light of continued improvements in atomistic imaging, modelling and data analytics methods.
C1 [Kalinin, Sergei V.; Sumpter, Bobby G.; Archibald, Richard K.] Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA.
[Kalinin, Sergei V.; Sumpter, Bobby G.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Sumpter, Bobby G.; Archibald, Richard K.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
RP Kalinin, SV (reprint author), Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA.
EM sergei2@ornl.gov
RI Sumpter, Bobby/C-9459-2013; Kalinin, Sergei/I-9096-2012; Archibald,
Rick/I-6238-2016
OI Sumpter, Bobby/0000-0001-6341-0355; Kalinin, Sergei/0000-0001-5354-6152;
Archibald, Rick/0000-0002-4538-9780
FU Laboratory Directed Research and Development Program of Oak Ridge
National Laboratory; DOE Office of Science User Facility at ORNL
[DE-AC05-00OR22725]
FX The authors thank A. Borisevich, H. Christen, J. Morris, and D. Levy, as
well as multiple colleagues at ORNL and elsewhere for valuable
discussions. R.K.A. acknowledges The Compute and Data Environment
(CADES) for continuous support. E. Strelcov and R. Vasudevan are
gratefully acknowledged for help with figure preparation. Research was
sponsored by the Laboratory Directed Research and Development Program of
Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the US
Department of Energy. A portion of this research was conducted at the
Center for Nanophase Materials Sciences, which is a DOE Office of
Science User Facility. The algorithmic aspects were sponsored by the
applied mathematics program at the DOE and the computational aspects
made use of the Oak Ridge Leadership Computing Facility, a DOE Office of
Science User Facility at ORNL supported under contract no.
DE-AC05-00OR22725.
NR 90
TC 17
Z9 17
U1 18
U2 88
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 OCT
PY 2015
VL 14
IS 10
BP 973
EP 980
DI 10.1038/NMAT4395
PG 8
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Applied; Physics, Condensed Matter
SC Chemistry; Materials Science; Physics
GA CS0SF
UT WOS:000361771800014
PM 26395941
ER
PT J
AU Wang, Y
Richards, WD
Ong, SP
Miara, LJ
Kim, JC
Mo, YF
Ceder, G
AF Wang, Yan
Richards, William Davidson
Ong, Shyue Ping
Miara, Lincoln J.
Kim, Jae Chul
Mo, Yifei
Ceder, Gerbrand
TI Design principles for solid-state lithium superionic conductors
SO NATURE MATERIALS
LA English
DT Article
ID GLASS-CERAMIC ELECTROLYTES; THIN-FILM LITHIUM; IONIC-CONDUCTIVITY;
CRYSTAL-STRUCTURE; RECHARGEABLE BATTERIES; PHASE-STABILITY; LISICON;
LI7LA3ZR2O12; LI10GEP2S12; DYNAMICS
AB Lithium solid electrolytes can potentially address two key limitations of the organic electrolytes used in today's lithium-ion batteries, namely, their flammability and limited electrochemical stability. However, achieving a Li+ conductivity in the solid state comparable to existing liquid electrolytes (>1mS cm(-1)) is particularly challenging. In this work, we reveal a fundamental relationship between anion packing and ionic transport in fast Li-conducting materials and expose the desirable structural attributes of good Li-ion conductors. We find that an underlying body-centred cubic-like anion framework, which allows direct Li hops between adjacent tetrahedral sites, is most desirable for achieving high ionic conductivity, and that indeed this anion arrangement is present in several known fast Li-conducting materials and other fast ion conductors. These findings provide important insight towards the understanding of ionic transport in Li-ion conductors and serve as design principles for future discovery and design of improved electrolytes for Li-ion batteries.
C1 [Wang, Yan; Richards, William Davidson; Ong, Shyue Ping; Kim, Jae Chul; Mo, Yifei; Ceder, Gerbrand] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA.
[Ong, Shyue Ping] Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92093 USA.
[Miara, Lincoln J.] Samsung Adv Inst Technol USA, Cambridge Ctr 1, Cambridge, MA 02142 USA.
[Mo, Yifei] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA.
[Ceder, Gerbrand] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Ceder, Gerbrand] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Ceder, G (reprint author), MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA.
EM gceder@berkeley.edu
RI Wang, Yan/G-8061-2011; Ong, Shyue Ping/D-7573-2014; Mo,
Yifei/F-5671-2011
OI Wang, Yan/0000-0002-8648-2172; Ong, Shyue Ping/0000-0001-5726-2587; Mo,
Yifei/0000-0002-8162-4629
FU Samsung Advanced Institute of Technology
FX This work was supported by the Samsung Advanced Institute of Technology.
Computational resources from the National Energy Research Scientific
Computing Center (NERSC) and from the Extreme Science and Engineering
Discovery Environment (XSEDE) are gratefully acknowledged.
NR 48
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U1 92
U2 467
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 OCT
PY 2015
VL 14
IS 10
BP 1026
EP +
DI 10.1038/NMAT4369
PG 7
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Applied; Physics, Condensed Matter
SC Chemistry; Materials Science; Physics
GA CS0SF
UT WOS:000361771800023
PM 26280225
ER
PT J
AU Zhang, SY
Bellinger, AM
Glettig, DL
Barman, R
Lee, YAL
Zhu, JH
Cleveland, C
Montgomery, VA
Gu, L
Nash, LD
Maitland, DJ
Langer, R
Traverso, G
AF Zhang, Shiyi
Bellinger, Andrew M.
Glettig, Dean L.
Barman, Ross
Lee, Young-Ah Lucy
Zhu, Jiahua
Cleveland, Cody
Montgomery, Veronica A.
Gu, Li
Nash, Landon D.
Maitland, Duncan J.
Langer, Robert
Traverso, Giovanni
TI A pH-responsive supramolecular polymer gel as an enteric elastomer for
use in gastric devices
SO NATURE MATERIALS
LA English
DT Article
ID DRUG-DELIVERY SYSTEMS; BIOENTERICS INTRAGASTRIC BALLOON; RELEASE
COATINGS; DOSAGE FORMS; RESIDENCE; RETENTION; DOGS; BOND
AB Devices resident in the stomach-used for a variety of clinical applications including nutritional modulation for bariatrics, ingestible electronics for diagnosis and monitoring, and gastric-retentive dosage forms for prolonged drug delivery-typically incorporate elastic polymers to compress the devices during delivery through the oesophagus and other narrow orifices in the digestive system. However, in the event of accidental device fracture or migration, the non-degradable nature of these materials risks intestinal obstruction. Here, we show that an elastic, pH-responsive supramolecular gel remains stable and elastic in the acidic environment of the stomach but can be dissolved in the neutral-pH environment of the small and large intestines. In a large animal model, prototype devices with these materials as the key component demonstrated prolonged gastric retention and safe passage. These enteric elastomers should increase the safety profile for a wide range of gastric-retentive devices.
C1 [Zhang, Shiyi; Bellinger, Andrew M.; Glettig, Dean L.; Barman, Ross; Lee, Young-Ah Lucy; Cleveland, Cody; Montgomery, Veronica A.; Gu, Li; Langer, Robert; Traverso, Giovanni] MIT, Dept Chem Engn, Cambridge, MA 02139 USA.
[Zhang, Shiyi; Bellinger, Andrew M.; Glettig, Dean L.; Barman, Ross; Lee, Young-Ah Lucy; Cleveland, Cody; Montgomery, Veronica A.; Gu, Li; Langer, Robert; Traverso, Giovanni] MIT, Koch Inst Integrat Canc Res, Cambridge, MA 02139 USA.
[Bellinger, Andrew M.] Harvard Univ, Sch Med, Brigham & Womens Hosp, Cardiovasc Div,Dept Med, Boston, MA 02115 USA.
[Barman, Ross; Traverso, Giovanni] Harvard Univ, Sch Med, Massachusetts Gen Hosp, Div Gastroenterol, Boston, MA 02114 USA.
[Zhu, Jiahua] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Nash, Landon D.; Maitland, Duncan J.] Texas A&M Univ, Biomed Device Lab, Dept Biomed Engn, College Stn, TX 77843 USA.
[Langer, Robert] MIT, Harvard Mit Div Hlth Sci & Technol, Cambridge, MA 02139 USA.
RP Langer, R (reprint author), MIT, Dept Chem Engn, Cambridge, MA 02139 USA.
EM rlanger@mit.edu; ctraverso@partners.org
RI Zhu, Jiahua/F-3204-2012
OI Zhu, Jiahua/0000-0003-2889-3421
FU Bill and Melinda Gates Foundation [OPP1096734]; NIH [EB000244, T32
5T32HL007604-29]; Alexander von Humboldt Foundation under the Max Planck
Research Award; Federal Ministry of Education and Research; Laboratory
Directed Research and Development program at Oak Ridge National
Laboratory; Scientific User Facilities Division, Office of Basic Energy
Sciences, US Department of Energy; US DOE [DE-AC02-06CH11357]
FX This work was funded in part by the Bill and Melinda Gates Foundation
Grant OPP1096734 (to R.L.) and the NIH Grant EB000244 (to R.L.). The
paper was partly sponsored by the Alexander von Humboldt Foundation
under the auspices of the Max Planck Research Award to R.L. funded by
the Federal Ministry of Education and Research. A.M.B. was supported in
part by NIH T32 5T32HL007604-29. J.Z. was supported by the Laboratory
Directed Research and Development program at Oak Ridge National
Laboratory, which is sponsored by the Scientific User Facilities
Division, Office of Basic Energy Sciences, US Department of Energy. Use
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, was supported by the US DOE under Contract
No. DE-AC02-06CH11357. We would like to thank J. Haupt and M. Jamiel for
expert veterinary support. We are indebted to L. Wood, P. Eckhoff, D.
Hartman, S. Kern, S. Hershenson and B. Nikolic for fruitful discussions
that stimulated the development of this material. The findings and
conclusions reported in this paper are those of the authors and do not
necessarily reflect positions or policies of the Bill and Melinda Gates
Foundation.
NR 44
TC 31
Z9 33
U1 40
U2 182
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 OCT
PY 2015
VL 14
IS 10
BP 1065
EP +
DI 10.1038/NMAT4355
PG 9
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Applied; Physics, Condensed Matter
SC Chemistry; Materials Science; Physics
GA CS0SF
UT WOS:000361771800028
PM 26213897
ER
PT J
AU Cui, XH
Yang, NH
Wang, ZB
Hu, C
Zhu, WP
Li, HJ
Ji, YJ
Liu, C
AF Cui, Xiaohui
Yang, Nanhai
Wang, Zhibo
Hu, Cheng
Zhu, Weiping
Li, Hanjie
Ji, Yujie
Liu, Cheng
TI Chinese social media analysis for disease surveillance
SO PERSONAL AND UBIQUITOUS COMPUTING
LA English
DT Article
DE Social media; Chinese; SVMLIGHT; Classification; Prediction; Flu
ID RETRIEVAL; WEB
AB It is reported that there are hundreds of thousands of deaths caused by seasonal flu all around the world every year. More other diseases such as chickenpox, malaria, etc. are also serious threats to people's physical and mental health. There are 250,000-500,000 deaths every year around the world. Therefore proper techniques for disease surveillance are highly demanded. Recently, social media analysis is regarded as an efficient way to achieve this goal, which is feasible since growing number of people have been posting their health information on social media such as blogs, personal websites, etc. Previous work on social media analysis mainly focused on English materials but hardly considered Chinese materials, which hinders the application of such technique to Chinese people. In this paper, we proposed a new method of Chinese social media analysis for disease surveillance. More specifically, we compared different kinds of methods in the process of classification and then proposed a new way to process Chinese text data. The Chinese Sina micro-blog data collected from September to December 2013 are used to validate the effectiveness of the proposed method. The results show that a high classification precision of 87.49 % in average has been obtained. Comparing with the data from the authority, Chinese National Influenza Center, we can predict the outbreak time of flu 5 days earlier.
C1 [Cui, Xiaohui; Yang, Nanhai; Wang, Zhibo; Hu, Cheng; Zhu, Weiping; Li, Hanjie; Ji, Yujie] Wuhan Univ, Int Sch Software, Wuhan 430079, Peoples R China.
[Wang, Zhibo] E China Inst Technol, Software Coll, Nanchang 330013, Peoples R China.
[Liu, Cheng] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Cui, XH (reprint author), Wuhan Univ, Int Sch Software, Wuhan 430079, Peoples R China.
EM xcui@whu.edu.cn
FU National Nature Science Foundation of China [61440054]; Fundamental
Research Funds for the Central Universities of China [216-274213];
Nature Science Foundation of Hubei, China [2014CFA048]; Outstanding
Academic Talents Startup Funds of Wuhan University [216-410100003,
216-410100004]
FX This research is supported in part by National Nature Science Foundation
of China No. 61440054, Fundamental Research Funds for the Central
Universities of China No. 216-274213, and Nature Science Foundation of
Hubei, China No. 2014CFA048. Outstanding Academic Talents Startup Funds
of Wuhan University, No. 216-410100003 and 216-410100004.
NR 26
TC 2
Z9 2
U1 0
U2 12
PU SPRINGER LONDON LTD
PI LONDON
PA 236 GRAYS INN RD, 6TH FLOOR, LONDON WC1X 8HL, ENGLAND
SN 1617-4909
EI 1617-4917
J9 PERS UBIQUIT COMPUT
JI Pers. Ubiquitous Comput.
PD OCT
PY 2015
VL 19
IS 7
BP 1125
EP 1132
DI 10.1007/s00779-015-0877-5
PG 8
WC Computer Science, Information Systems; Telecommunications
SC Computer Science; Telecommunications
GA CR9DL
UT WOS:000361653300014
ER
PT J
AU Gaudana, SB
Zarzycki, J
Moparthi, VK
Kerfeld, CA
AF Gaudana, Sandeep B.
Zarzycki, Jan
Moparthi, Vamsi K.
Kerfeld, Cheryl A.
TI Bioinformatic analysis of the distribution of inorganic carbon
transporters and prospective targets for bioengineering to increase C-i
uptake by cyanobacteria
SO PHOTOSYNTHESIS RESEARCH
LA English
DT Review
DE pfam; Rhodopsin; Inorganic carbon transport; Cyanobacteria; Carbon
fixation; Carbon-concentrating mechanism; Genomic context; Synthetic
biology; Bioinformatics
ID STRAIN PCC 7942; CO2 CONCENTRATING MECHANISM; ANABAENA SENSORY
RHODOPSIN; SYNECHOCYSTIS SP PCC-6803; SYNECHOCOCCUS SP PCC7942;
BICARBONATE TRANSPORTER; NDH-1 COMPLEXES; HALOBACTERIUM-HALOBIUM;
THERMOSYNECHOCOCCUS-ELONGATUS; CO2-CONCENTRATING MECHANISM
AB Cyanobacteria have evolved a carbon-concentrating mechanism (CCM) which has enabled them to inhabit diverse environments encompassing a range of inorganic carbon (C-i: and CO2) concentrations. Several uptake systems facilitate inorganic carbon accumulation in the cell, which can in turn be fixed by ribulose 1,5-bisphosphate carboxylase/oxygenase. Here we survey the distribution of genes encoding known C-i uptake systems in cyanobacterial genomes and, using a pfam- and gene context-based approach, identify in the marine (alpha) cyanobacteria a heretofore unrecognized number of putative counterparts to the well-known C-i transporters of beta cyanobacteria. In addition, our analysis shows that there is a huge repertoire of transport systems in cyanobacteria of unknown function, many with homology to characterized C-i transporters. These can be viewed as prospective targets for conversion into ancillary C-i transporters through bioengineering. Increasing intracellular C-i concentration coupled with efforts to increase carbon fixation will be beneficial for the downstream conversion of fixed carbon into value-added products including biofuels. In addition to CCM transporter homologs, we also survey the occurrence of rhodopsin homologs in cyanobacteria, including bacteriorhodopsin, a class of retinal-binding, light-activated proton pumps. Because they are light driven and because of the apparent ease of altering their ion selectivity, we use this as an example of re-purposing an endogenous transporter for the augmentation of C-i uptake by cyanobacteria and potentially chloroplasts.
C1 [Gaudana, Sandeep B.; Zarzycki, Jan; Kerfeld, Cheryl A.] Michigan State Univ, Dept Biochem & Mol Biol, DOE Plant Res Labs, E Lansing, MI 48824 USA.
[Zarzycki, Jan; Kerfeld, Cheryl A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Moparthi, Vamsi K.] Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA.
[Kerfeld, Cheryl A.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.
RP Kerfeld, CA (reprint author), Michigan State Univ, Dept Biochem & Mol Biol, DOE Plant Res Labs, 612 Wilson Rd, E Lansing, MI 48824 USA.
EM ckerfeld@lbl.gov
FU NSF [EF1105892, MCB0851094]; US DOE [DE-AC02 05CH11231]
FX The authors thank Ryan L. Leverenz, Onur Erbilgin, and Seth D. Axen for
helpful discussions. This work was supported by the NSF (EF1105892 and
MCB0851094) and by the US DOE contract no. DE-AC02 05CH11231.
NR 74
TC 6
Z9 7
U1 4
U2 28
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0166-8595
EI 1573-5079
J9 PHOTOSYNTH RES
JI Photosynth. Res.
PD OCT
PY 2015
VL 126
IS 1
SI SI
BP 99
EP 109
DI 10.1007/s11120-014-0059-8
PG 11
WC Plant Sciences
SC Plant Sciences
GA CS2GA
UT WOS:000361885500007
PM 25399051
ER
PT J
AU Kurtz, S
Muller, M
Jordan, D
Ghosal, K
Fisher, B
Verlinden, P
Hashimoto, J
Riley, D
AF Kurtz, Sarah
Muller, Matthew
Jordan, Dirk
Ghosal, Kanchan
Fisher, Brent
Verlinden, Pierre
Hashimoto, Jun
Riley, Daniel
TI Key parameters in determining energy generated by CPV modules
SO PROGRESS IN PHOTOVOLTAICS
LA English
DT Article
DE energy yield; concentrator PV; performance ratio; acceptance angle;
energy rating
ID SINGLE-JUNCTION; PERFORMANCE; CELLS
AB We identify the key inputs and measurement data needed for accurate energy rating of concentrator photovoltaic (CPV) modules based on field observations of multiple CPV modules. Acceptance angle is shown to correlate with the observed module-level performance ratio (PR) for the modules studied. Using power ratings based on concentrator standard test conditions, PRs between 90% and 95% were observed during the summers with up to similar to 10% lower PRs during the winters. A module fabricated by Semprius showed 94% +/- 0.7% PR over almost 2 years with seasonal variation in PR of less than 1% showing how a module with relatively large acceptance angle may show very consistent average efficiency (calculated from the energy generated relative to the energy available), potentially simplifying energy ratings. The application of the results for translation of energy rating from one location to another is discussed, concluding that most of the translation differences may be correlated with temperature differences between sites with the largest variation happening when optical efficiency depends on temperature. Copyright (C) 2014 John Wiley & Sons, Ltd.
C1 [Kurtz, Sarah; Muller, Matthew; Jordan, Dirk] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Ghosal, Kanchan; Fisher, Brent] Semprius, Durham, NC USA.
[Verlinden, Pierre] Trina Solar, State Key Lab PV Sci & Technol, Changzhou, Peoples R China.
[Hashimoto, Jun] Natl Inst Adv Ind Sci & Technol, Fukushima Renewable Energy Inst, Fukushima, Japan.
[Riley, Daniel] Sandia Natl Labs, Photovolta & Distributed Syst Dept, Albuquerque, NM 87185 USA.
RP Kurtz, S (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM sarah.kurtz@nrel.gov
FU US Department of Energy [DE-AC36-99GO10337]
FX The authors wish to thank J. Rodriguez for his technical assistance with
the tracker and data collection and T. Silverman, M. Deceglie, and J.
Wohlgemuth for their useful comments on the manuscript. This work was
completed under contract no. DE-AC36-99GO10337 with the US Department of
Energy.
NR 21
TC 9
Z9 9
U1 1
U2 4
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 OCT
PY 2015
VL 23
IS 10
BP 1250
EP 1259
DI 10.1002/pip.2544
PG 10
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CS3XI
UT WOS:000362008600005
ER
PT J
AU Steiner, M
Bosch, A
Dilger, A
Dimroth, F
Dorsam, T
Muller, M
Hornung, T
Siefer, G
Wiesenfarth, M
Bett, AW
AF Steiner, Marc
Boesch, Armin
Dilger, Alexander
Dimroth, Frank
Doersam, Tobias
Muller, Matt
Hornung, Thorsten
Siefer, Gerald
Wiesenfarth, Maike
Bett, Andreas W.
TI FLATCON (R) CPV module with 36.7% efficiency equipped with four-junction
solar cells
SO PROGRESS IN PHOTOVOLTAICS
LA English
DT Article
DE CPV module; power rating; multi-junction; concentrator cell;
characterization; high efficiency
ID CHROMATIC ABERRATION; FRESNEL LENSES
AB In this paper we present the application of high efficiency four-junction solar cells using SOITEC bonding technology under a Fresnel lens optic and in a FLATCON (R)-type CPV module. We demonstrate very high performance. The measurement of a sub-module, consisting of a four-junction solar cell adjusted under a single Fresnel lens, showed an efficiency of 38.9%. An 829.6 cm(2) sized FLATCON (R)-type CPV module yielded in an efficiency of 35.0% and 36.7% at CSOC and CSTC, respectively. Thus, both, the sub-module and the CPV module showed record values, which prove the usefulness of high efficiency four-junction solar cells in CPV applications. Copyright (C) 2014 John Wiley & Sons, Ltd.
C1 [Steiner, Marc; Boesch, Armin; Dilger, Alexander; Dimroth, Frank; Doersam, Tobias; Hornung, Thorsten; Siefer, Gerald; Wiesenfarth, Maike; Bett, Andreas W.] Fraunhofer Inst Solar Energy Syst, D-79110 Freiburg, Germany.
[Muller, Matt] NREL, Golden, CO USA.
RP Steiner, M (reprint author), Fraunhofer Inst Solar Energy Syst, Heidenhofstr 2, D-79110 Freiburg, Germany.
EM marc.steiner@ise.fraunhofer.de
FU Federal Ministry for the Economics and Energy (BMWi) [0327567A]
FX The authors express their sincere thanks to the company SOITEC to yield
the four-junction solar cell for our experiments. The authors are also
thankful for the good cooperation with the company ORAFOL Fresnel Optics
which manufactured the SoG Fresnel lenses. Last but not least we are
much obliged to all the colleagues of the "III-V-Epitaxy and Solar Cell"
department and of the team "Concentrator Optics PV" for their support
and discussions. Eventually, we acknowledge the partial financial
support for optimizing CPV modules within the KoMGen project, contract
number 0327567A funded by the Federal Ministry for the Economics and
Energy (BMWi). The authors are responsible for the content of this
paper.
NR 23
TC 9
Z9 9
U1 3
U2 13
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 OCT
PY 2015
VL 23
IS 10
BP 1323
EP 1329
DI 10.1002/pip.2568
PG 7
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CS3XI
UT WOS:000362008600012
ER
PT J
AU Toor, F
Oh, J
Branz, HM
AF Toor, Fatima
Oh, Jihun
Branz, Howard M.
TI Efficient nanostructured 'black' silicon solar cell by copper-catalyzed
metal-assisted etching
SO PROGRESS IN PHOTOVOLTAICS
LA English
DT Article
DE nanostructured silicon; antireflection; metal-assisted silicon etching;
density-graded surface; silicon solar cells
ID POROUS SILICON; SURFACE
AB We produce low-reflectivity nanostructured 'black' silicon (bSi) using copper (Cu) nanoparticles as the catalyst for metal-assisted etching and demonstrate a 17.0%-efficient Cu-etched bSi solar cell without any vacuum-deposited anti-reflection coating. The concentration ratio of HF to H2O2 in the etch solution provides control of the nanostructure morphology. The solar-spectrum-weighted average reflection (R-ave) for bSi is as low as 3.1% on Cu-etched planar samples; we achieve lower reflectivity by nanostructuring of micron-scale pyramids. Successful Cu-based anti-reflection etching requires a concentration ratio [HF]/[H2O2] >= 3. Our 17.0%-efficient Cu-etched bSi photovoltaic cell with a pyramid-texture has a R-ave of 3% and an open circuit voltage (V-oc) of 616mV that might be further improved by reducing near-surface phosphorus (P) densities. Copyright (C) 2014 John Wiley & Sons, Ltd.
C1 [Toor, Fatima; Oh, Jihun; Branz, Howard M.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Toor, F (reprint author), Univ Iowa, Dept Elect & Comp Engn, Iowa City, IA 52242 USA.
EM fatima-toor@uiowa.edu
FU American Recovery and Reinvestment Act (ARRA) Photovoltaic Supply Chain
and Crosscutting Technologies grant under U.S. Department of Energy
[DE-AC36-08GO28308]
FX We gratefully acknowledge SIMS measurements by Robert Reedy, SEM
measurements by Bobby To, and important technical advice from Hao-Chih
Yuan and Matt Page. This work was supported by an American Recovery and
Reinvestment Act (ARRA) Photovoltaic Supply Chain and Crosscutting
Technologies grant under U.S. Department of Energy Contract Number
DE-AC36-08GO28308.
NR 22
TC 8
Z9 8
U1 2
U2 37
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 OCT
PY 2015
VL 23
IS 10
BP 1375
EP 1380
DI 10.1002/pip.2562
PG 6
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CS3XI
UT WOS:000362008600018
ER
PT J
AU Adachi, K
Klausner, JD
Bristow, CC
Xu, JH
Ank, B
Morgado, MG
Watts, DH
Weir, F
Persing, D
Mofenson, LM
Veloso, VG
Pilotto, JH
Joao, E
Nielsen-Saines, K
AF Adachi, Kristina
Klausner, Jeffrey D.
Bristow, Claire C.
Xu, Jiahong
Ank, Bonnie
Morgado, Mariza G.
Watts, D. Heather
Weir, Fred
Persing, David
Mofenson, Lynne M.
Veloso, Valdilea G.
Pilotto, Jose Henrique
Joao, Esau
Nielsen-Saines, Karin
CA NICHD HPTN Study Team
TI Chlamydia and Gonorrhea in HIV-Infected Pregnant Women and Infant HIV
Transmission
SO SEXUALLY TRANSMITTED DISEASES
LA English
DT Article
ID SEXUALLY-TRANSMITTED-DISEASES; HUMAN-IMMUNODEFICIENCY-VIRUS; TO-CHILD
TRANSMISSION; GENITAL-TRACT INFECTIONS; SUB-SAHARAN AFRICA; PERINATAL
TRANSMISSION; TRACHOMATIS INFECTION; PRETERM BIRTH; RISK-FACTORS;
PREVALENCE
AB Background Sexually transmitted infections (STIs) such as Chlamydia trachomatis (CT) and Neisseria gonorrhoeae (NG) can lead to adverse pregnancy and neonatal outcomes. The prevalence of STIs and its association with HIV mother-to-child transmission (MTCT) were evaluated in a substudy analysis from a randomized, multicenter clinical trial.
Methodology Urine samples from HIV-infected pregnant women collected at the time of labor and delivery were tested using polymerase chain reaction testing for the detection of CT and NG (Xpert CT/NG; Cepheid, Sunnyvale, CA). Infant HIV infection was determined by HIV DNA polymerase chain reaction at 3 months.
Results Of the 1373 urine specimens, 249 (18.1%) were positive for CT and 63 (4.6%) for NG; 35 (2.5%) had both CT and NG detected. Among 117 cases of HIV MTCT (8.5% transmission), the lowest transmission rate occurred among infants born to CT- and NG-uninfected mothers (8.1%) as compared with those infected with only CT (10.7%) and both CT and NG (14.3%; P = 0.04). Infants born to CT-infected mothers had almost a 1.5-fold increased risk for HIV acquisition (odds ratio, 1.47; 95% confidence interval, 0.9-2.3; P = 0.09).
Conclusions This cohort of HIV-infected pregnant women is at high risk for infection with CT and NG. Analysis suggests that STIs may predispose to an increased HIV MTCT risk in this high-risk cohort of HIV-infected women.
C1 [Adachi, Kristina; Klausner, Jeffrey D.; Ank, Bonnie; Nielsen-Saines, Karin] David Geffen UCLA Sch Med, Los Angeles, CA USA.
[Bristow, Claire C.] Univ Calif Los Angeles, Fielding Sch Publ Hlth, Los Angeles, CA USA.
[Xu, Jiahong] Westat Corp, Rockville, MD USA.
[Morgado, Mariza G.; Veloso, Valdilea G.] Fundacao Oswaldo Cruz FIOCRUZ, Rio De Janeiro, RJ, Brazil.
[Watts, D. Heather] US DOE, Off Global AIDS Coordinator, Washington, DC 20585 USA.
[Weir, Fred; Persing, David] Cepheid, Sunnyvale, CA USA.
[Mofenson, Lynne M.] Eunice Kennedy Shriver Natl Inst Child Hlth & Hum, NIH, Bethesda, MD USA.
[Pilotto, Jose Henrique] Hosp Geral Nova Iguacu, Nova Iguacu, RJ, Brazil.
[Joao, Esau] Hosp Fed Servidores Estado, Rio De Janeiro, RJ, Brazil.
RP Adachi, K (reprint author), Univ Calif Los Angeles, David Geffen Sch Med, Dept Pediat, Div Infect Dis, 10833 Le Conte Ave,MDCC 22-442, Los Angeles, CA 90095 USA.
EM kadachi@mednet.ucla.edu
FU NICHD, NIAID/NIH [HHSN267200800001C, N01-HD-8-0001, U01 AI047986];
NIAIDU01 [AI068632]; Eunice Kennedy Shriver NICHD; National Institute of
Mental Health [AI068632]; Boehringer Ingelheim Pharmaceuticals Inc;
GlaxoSmithKline on behalf of ViiV Healthcare; Cepheid, Sunnyvale, CA
FX The NICHD HPTN 040 study was supported by NICHD Contract Nos.
HHSN267200800001C (NICHD Control No. N01-HD-8-0001) and U01 AI047986
(Brazilian AIDS Prevention Trials International Network), NIAID/NIH.
Overall support for the International Maternal Pediatric Adolescent AIDS
Clinical Trials Group (IMPAACT) was provided by NIAIDU01 AI068632, the
Eunice Kennedy Shriver NICHD, and the National Institute of Mental
Health (AI068632). In addition, the parent study was supported, in part,
by Boehringer Ingelheim Pharmaceuticals Inc and GlaxoSmithKline on
behalf of ViiV Healthcare. This particular substudy was supported by
Cepheid, Sunnyvale, CA, where Chlamydia trachomatis and Neisseria
gonorrhoeae testing of specimens was performed. The authors would also
like to acknowledge 2 laboratory personnel who conducted all of the
urine specimen preparation and shipment, Mary Ann Hausner and Jessica
Liu. The content is solely the responsibility of the authors and does
not necessarily represent the official views of the NIH, affiliated
universities, programs, or companies of the authors.
NR 48
TC 8
Z9 8
U1 5
U2 12
PU LIPPINCOTT WILLIAMS & WILKINS
PI PHILADELPHIA
PA TWO COMMERCE SQ, 2001 MARKET ST, PHILADELPHIA, PA 19103 USA
SN 0148-5717
EI 1537-4521
J9 SEX TRANSM DIS
JI Sex. Transm. Dis.
PD OCT
PY 2015
VL 42
IS 10
BP 554
EP 565
DI 10.1097/OLQ.0000000000000340
PG 12
WC Infectious Diseases
SC Infectious Diseases
GA CR8LZ
UT WOS:000361605700005
PM 26372927
ER
PT J
AU Patel, CG
Tao, GY
AF Patel, Chirag G.
Tao, Guoyu
TI The Significant Impact of Different Insurance Enrollment Criteria on the
HEDIS Chlamydia Screening Measure for Young Women Enrolled in Medicaid
and Commercial Insurance Plans
SO SEXUALLY TRANSMITTED DISEASES
LA English
DT Article
ID UNITED-STATES; ELIGIBILITY; COVERAGE; CHILDREN
AB Objective The impact of length of enrollment in a health plan on eligibility of women under the Healthcare Effectiveness Data and Information Set (HEDIS) chlamydia screening measure is not fully understood. We assessed the representativeness of the measure among the proportion of women aged 15 to 24 years with a gap in coverage for Medicaid and commercial health insurance.
Methods Truven Health Marketscan Medicaid and commercial health insurance data from 2006 to 2012 were used to make comparisons between proportions of women with a gap in coverage to those enrolled in insurance plans for different numbers of months.
Results Approximately 48% of Medicaid-insured women and 31% of commercially insured women had an at least 2-month gap that disqualified them from eligibility for inclusion in the HEDIS chlamydia screening measure. Extending eligibility to women with at least 6 months of coverage, regardless of gap, would increase the proportion of insured women included in the HEDIS measure to 76% (from 52%) for Medicaid and 83% (from 69%) for commercial insurance, without much effect on chlamydia testing rate. This would make the measure more representative of all insured women.
Conclusions The large proportion of young women who had a 2-month or greater gap in coverage in Medicaid had a significant impact on the overall representativeness of the current HEDIS chlamydia screening measure.
C1 [Patel, Chirag G.; Tao, Guoyu] Natl Ctr HIV AIDS Viral Hepatitis STD & TB Preven, Div STD Prevent, Atlanta, GA USA.
[Patel, Chirag G.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA.
RP Patel, CG (reprint author), Ctr Dis Control & Prevent, Div STD Prevent, 1600 Clifton Rd,MS-2016, Atlanta, GA 30316 USA.
EM wyp3@cdc.gov
NR 21
TC 1
Z9 1
U1 1
U2 3
PU LIPPINCOTT WILLIAMS & WILKINS
PI PHILADELPHIA
PA TWO COMMERCE SQ, 2001 MARKET ST, PHILADELPHIA, PA 19103 USA
SN 0148-5717
EI 1537-4521
J9 SEX TRANSM DIS
JI Sex. Transm. Dis.
PD OCT
PY 2015
VL 42
IS 10
BP 575
EP 579
DI 10.1097/OLQ.0000000000000338
PG 5
WC Infectious Diseases
SC Infectious Diseases
GA CR8LZ
UT WOS:000361605700008
PM 26372930
ER
PT J
AU Cattaneo, A
Bossert, JA
Guzman, C
Haaker, A
Gupta, G
Mohite, A
Dumont, JH
Purdy, GM
Miller, KA
Marchi, AN
Farrar, CR
Mascarenas, DDL
AF Cattaneo, A.
Bossert, J. A.
Guzman, C.
Haaker, A.
Gupta, G.
Mohite, A.
Dumont, J. H.
Purdy, G. M.
Miller, K. A.
Marchi, A. N.
Farrar, C. R.
Mascarenas, D. D. L.
TI A graphite oxide (GO)-based remote readable tamper evident seal
SO SMART MATERIALS AND STRUCTURES
LA English
DT Article
DE tamper evident seal; graphite oxide; compressive sensing; damage
detection and classification; sensing skin
ID COMPRESSED SENSING MATRICES; GRAPHENE OXIDE; FILMS; TRANSPARENT;
REDUCTION
AB This paper presents a prototype of a remotely readable graphite oxide (GO) paper-based tamper evident seal. The proposed device combines the tunable electrical properties offered by reduced graphite oxide (RGO) with a compressive sampling scheme. The benefit of using RGO as a tamper evident seal material is the sensitivity of its electrical properties to the common mechanisms adopted to defeat tamper-evident seals. RGO's electrical properties vary upon local stress or cracks induced by mechanical action (e.g., produced by shimming or lifting attacks). Further, modification of the seal's electrical properties can result from the incidence of other defeat mechanisms, such as temperature changes, solvent treatment and steam application. The electrical tunability of RGO enables the engraving of a circuit on the area of the tamper evident seal intended to be exposed to malicious attacks. The operation of the tamper evident seal, as well as its remote communication functionality, is supervised by a microcontroller unit (MCU). The MCU uses the RGO-engraved circuitry to physically implement a compressive sampling acquisition procedure. The compressive sampling scheme provides the seal with self-authentication and self-state-of-health awareness capabilities. The prototype shows potential for use in low-power, embedded, remote-operation non-proliferation security related applications.
C1 [Cattaneo, A.; Marchi, A. N.; Farrar, C. R.; Mascarenas, D. D. L.] Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87544 USA.
[Bossert, J. A.; Gupta, G.; Mohite, A.; Dumont, J. H.; Purdy, G. M.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
[Guzman, C.] Prairie View A&M Univ, Thermal Sci Res Ctr, Prairie View, TX 77446 USA.
[Haaker, A.] Univ New Mexico, Dept Mech Engn, Albuquerque, NM 87131 USA.
[Miller, K. A.] Los Alamos Natl Lab, Safeguards Sci & Technol, Los Alamos, NM 87545 USA.
RP Cattaneo, A (reprint author), Los Alamos Natl Lab, Engn Inst, POB 1663,MS T001, Los Alamos, NM 87544 USA.
EM cattaneo@lanl.gov
OI Farrar, Charles/0000-0001-6533-6996
FU Los Alamos National Laboratory-Laboratory Directed Research and
Development program [20130527ER]
FX The authors would like to acknowledge the support of the Los Alamos
National Laboratory-Laboratory Directed Research and Development
program. Grant number 20130527ER. The authors acknowledge also the
United States Department of State. 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 particular
funding agency.
NR 49
TC 1
Z9 1
U1 1
U2 6
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0964-1726
EI 1361-665X
J9 SMART MATER STRUCT
JI Smart Mater. Struct.
PD OCT
PY 2015
VL 24
IS 10
AR 105014
DI 10.1088/0964-1726/24/10/105014
PG 15
WC Instruments & Instrumentation; Materials Science, Multidisciplinary
SC Instruments & Instrumentation; Materials Science
GA CS1OT
UT WOS:000361836800014
ER
PT J
AU Vrablik, TL
Petyuk, VA
Larson, EM
Smith, RD
Watts, JL
AF Vrablik, Tracy L.
Petyuk, Vladislav A.
Larson, Emily M.
Smith, Richard D.
Watts, Jennifer L.
TI Lipidomic and proteomic analysis of Caenorhabditis elegans lipid
droplets and identification of ACS-4 as a lipid droplet-associated
protein
SO BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR AND CELL BIOLOGY OF LIPIDS
LA English
DT Article
DE C. elegans; Lipid droplets; DAF-2; Lipidomics; Proteomics
ID TANDEM MASS-SPECTRA; COA SYNTHETASE 3; C-ELEGANS; SOFTWARE TOOL;
REVEALS; BIOGENESIS; STORAGE; SIZE; ACCUMULATION; LIPOGENESIS
AB Lipid droplets are cytoplasmic organelles that store neutral lipids for membrane synthesis and energy reserves. In this study, we characterized the lipid and protein composition of purified Caenorhabditis elegans lipid droplets. These lipid droplets are composed mainly of triacylglycerols, surrounded by a phospholipid monolayer composed primarily of phosphatidylcholine and phosphatidylethanolamine. The fatty acid composition of the triacylglycerols is rich in fatty acid species obtained from the dietary Escherichia coli, including cyclopropane fatty acids and cis-vaccenic acid. Unlike other organisms, C elegans lipid droplets contain very little cholesterol or cholesterol esters. Comparison of the lipid droplet proteomes of wild type and high-fat daf-2 mutant strains shows a very similar proteome in both strains, except that the most abundant protein in the C elegans lipid droplet proteome, MDT-28, is relatively less abundant in lipid droplets isolated from daf-2 mutants. Functional analysis of lipid droplet proteins identified in our proteomic studies indicated an enrichment of proteins required for growth and fat homeostasis in C. elegans. Finally, we confirmed the localization of one of the newly identified lipid droplet proteins, ACS-4. We found that ACS-4 localizes to the surface of lipid droplets in the C. elegans intestine and skin. This study bolsters C elegans as a model to study the dynamics and functions of lipid droplets in a multicellular organism. (C) 2015 The Authors. Published by Elsevier B.V.
C1 [Vrablik, Tracy L.; Larson, Emily M.; Watts, Jennifer L.] Washington State Univ, Sch Mol Biosci, Pullman, WA 99164 USA.
[Petyuk, Vladislav A.; Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
[Petyuk, Vladislav A.; Smith, Richard D.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
RP Watts, JL (reprint author), Washington State Univ, Sch Mol Biosci, Pullman, WA 99164 USA.
EM jwatts@vetmed.wsu.edu
RI Smith, Richard/J-3664-2012;
OI Smith, Richard/0000-0002-2381-2349; Petyuk,
Vladislav/0000-0003-4076-151X
FU National Institutes of Health Office of Research Infrastructure Programs
[P40 OD010440]; National Institutes of Health (USA) [R01 DK74114, P41
GM103493]; Poncin Fellowship; DOE [DE-AC05-76RL0 1830]
FX We thank Xun Shi, Olga Shiva and Marshall Deline for technical
assistance and members of the Watts lab for helpful comments on the
manuscript. Some C. elegans strains were provided by the CGC, which is
funded by National Institutes of Health Office of Research
Infrastructure Programs (P40 OD010440). Funding for this study was
provided by grants from the National Institutes of Health (USA), R01
DK74114 (JLW) and P41 GM103493 (RDS). Additional funding was provided by
a Poncin Fellowship to TLV. Part of the experimental work described
herein was performed in the Environmental Molecular Sciences Laboratory,
a national scientific user facility sponsored by the DOE and located at
Pacific Northwest National Laboratory, which is operated by Battelle
Memorial Institute for the DOE under Contract DE-AC05-76RL0 1830.
NR 60
TC 3
Z9 3
U1 1
U2 14
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1388-1981
EI 0006-3002
J9 BBA-MOL CELL BIOL L
JI Biochim. Biophys. Acta Mol. Cell Biol. Lipids
PD OCT
PY 2015
VL 1851
IS 10
BP 1337
EP 1345
DI 10.1016/j.bbalip.2015.06.004
PG 9
WC Biochemistry & Molecular Biology; Biophysics; Cell Biology
SC Biochemistry & Molecular Biology; Biophysics; Cell Biology
GA CR5SA
UT WOS:000361403100006
PM 26121959
ER
PT J
AU Buchko, GW
Edwards, TE
Hewitt, SN
Phan, IQH
Van Voorhis, WC
Miller, SI
Myler, PJ
AF Buchko, Garry W.
Edwards, Thomas E.
Hewitt, Stephen N.
Phan, Isabelle Q. H.
Van Voorhis, Wesley C.
Miller, Samuel I.
Myler, Peter J.
TI Backbone chemical shift assignments for the sensor domain of the
Burkholderia pseudomallei histidine kinase RisS: "missing" resonances at
the dimer interface
SO BIOMOLECULAR NMR ASSIGNMENTS
LA English
DT Article
DE Signal transduction; Infectious diseases; Two-component system; Chemical
shift perturbations; Meliodosis
AB Using a deuterated sample, all the observable backbone H-1(N), N-15, C-13(a), and C-13' chemical shifts for the dimeric, periplasmic sensor domain of the Burkholderia pseudomallei histidine kinase RisS were assigned. Approximately one-fifth of the amide resonances are "missing" in the H-1-N-15 HSQC spectrum and map primarily onto alpha-helices at the dimer interface observed in a crystal structure suggesting this region either undergoes intermediate timescale motion (mu s-ms) and/or is heterogeneous.
C1 [Buchko, Garry W.; Edwards, Thomas E.; Hewitt, Stephen N.; Phan, Isabelle Q. H.; Van Voorhis, Wesley C.; Myler, Peter J.] Seattle Struct Genom Ctr Infect Dis, Seattle, WA USA.
[Buchko, Garry W.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
[Edwards, Thomas E.] Beryllium, Bainbridge Isl, WA 98110 USA.
[Hewitt, Stephen N.; Van Voorhis, Wesley C.; Miller, Samuel I.] Univ Washington, Dept Med, Seattle, WA 98195 USA.
[Phan, Isabelle Q. H.; Myler, Peter J.] Seattle Biomed Res Inst, Ctr Infectous Dis Res, Seattle, WA 98109 USA.
[Miller, Samuel I.] Univ Washington, Dept Microbiol, Seattle, WA 98195 USA.
[Miller, Samuel I.] Univ Washington, Dept Genome Sci, Seattle, WA 98195 USA.
[Myler, Peter J.] Univ Washington, Dept Biomed Informat & Med Educ, Seattle, WA 98195 USA.
[Myler, Peter J.] Univ Washington, Dept Global Hlth, Seattle, WA 98195 USA.
RP Buchko, GW (reprint author), Seattle Struct Genom Ctr Infect Dis, Seattle, WA USA.
EM garry.buchko@pnnl.gov
RI Buchko, Garry/G-6173-2015
OI Buchko, Garry/0000-0002-3639-1061
FU National Institute of Allergy and Infectious Diseases, National
Institute of Health, Department of Health and Human Services
[HHSN2722001200025C, HHSN272200700057C]; U.S. Department of Energy's
Office of Biological and Environmental Research (BER)
FX This research was funded by the National Institute of Allergy and
Infectious Diseases, National Institute of Health, Department of Health
and Human Services, under Federal Contract numbers HHSN2722001200025C
and HHSN272200700057C. The SSGCID internal ID for the RisS sensor domain
is BupsA.00863.i. A large part of this research was performed at the
W.R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a
national scientific user facility located at Pacific Northwest National
Laboratory (PNNL) and sponsored by U.S. Department of Energy's Office of
Biological and Environmental Research (BER) program. Battelle operates
PNNL for the U.S. Department of Energy.
NR 15
TC 0
Z9 0
U1 1
U2 3
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 1874-2718
EI 1874-270X
J9 BIOMOL NMR ASSIGN
JI Biomol. NMR Assign.
PD OCT
PY 2015
VL 9
IS 2
BP 381
EP 385
DI 10.1007/s12104-015-9614-2
PG 5
WC Biophysics; Spectroscopy
SC Biophysics; Spectroscopy
GA CR6FN
UT WOS:000361440100035
PM 25957069
ER
PT J
AU Homel, MA
Guilkey, JE
Brannon, RM
AF Homel, Michael A.
Guilkey, James E.
Brannon, Rebecca M.
TI Numerical solution for plasticity models using consistency bisection and
a transformed-space closest-point return: a nongradient solution method
SO COMPUTATIONAL MECHANICS
LA English
DT Article
DE Plasticity return algorithm; Energy-mapped stress space; Geomechanics;
Nonassociativity; Nongradient; Closest-point projection
ID YIELD FUNCTIONS; ELASTOPLASTICITY; FORMULATION; INTEGRATION; ALGORITHM;
SURFACE; MEDIA
AB A new approach is presented for computing the return in numerical solutions for computational plasticity models that ensures convergence through bisection of the plastic consistency parameter, while using a transformed-space closest-point return based on a geometric search that eliminates the need to compute gradients of the yield function or a consistent tangent operator. Numerical solution of the governing equations for computational plasticity is highly-nontrivial for complex constitutive laws. In particular for geomaterials, a predictive model may account for nonlinear elasticity, shear strength that depends nonlinearly on pressure and Lode angle, and nonlinear evolution models for internal variables such as porosity or pore pressure. Traditional gradient-based integration methods may perform poorly when the hardening laws are highly nonlinear or when the yield function has an ill-defined or cumbersome gradient because of high curvature, vertices, or complicated functional form. The application of this new approach to geomaterial modeling is described, along with verification benchmarks.
C1 [Homel, Michael A.; Guilkey, James E.; Brannon, Rebecca M.] Univ Utah, Dept Mech Engn, Salt Lake City, UT 84112 USA.
RP Homel, MA (reprint author), Lawrence Livermore Natl Lab, POB 808,L-286, Livermore, CA 94551 USA.
EM michael@homel.org; james.guilkey@utah.edu; rebecca.brannon@utah.edu
NR 38
TC 0
Z9 0
U1 2
U2 14
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0178-7675
EI 1432-0924
J9 COMPUT MECH
JI Comput. Mech.
PD OCT
PY 2015
VL 56
IS 4
BP 565
EP 584
DI 10.1007/s00466-015-1187-5
PG 20
WC Mathematics, Interdisciplinary Applications; Mechanics
SC Mathematics; Mechanics
GA CR4ZL
UT WOS:000361348500001
ER
PT J
AU Ardeljan, M
McCabe, RJ
Beyerlein, IJ
Knezevic, M
AF Ardeljan, Milan
McCabe, Rodney J.
Beyerlein, Irene J.
Knezevic, Marko
TI Explicit incorporation of deformation twins into crystal plasticity
finite element models
SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING
LA English
DT Article
DE Crystal plasticity finite element models; Stress fields; Deformation
twinning; Twin formation; Twin thickening
ID CRYSTALLOGRAPHIC TEXTURE EVOLUTION; STRAIN-PATH CHANGES;
X-RAY-DIFFRACTION; POLYCRYSTALLINE MATERIALS; ALPHA-TITANIUM;
DISLOCATION DENSITY; MECHANICAL RESPONSE; FOURIER-TRANSFORMS; PROPERTY
CLOSURES; ZIRCONIUM ALLOYS
AB Deformation twinning is a subgrain mechanism that strongly influences the mechanical response and microstructural evolution of metals especially those with low symmetry crystal structure. In this work, we present an approach to modeling the morphological and crystallographic reorientation associated with the formation and thickening of a twin lamella within a crystal plasticity finite element (CPFE) framework. The CPFE model is modified for the first time to include the shear transformation strain associated with deformation twinning. Using this model, we study the stress-strain fields and relative activities of the active deformation modes before and after the formation of a twin and during thickening within the twin, and in the parent grain close to the twin and away from the twin boundaries. These calculations are carried out in cast uranium (U), which has an orthorhombic crystal structure and twins predominantly on the {130} <<(3)over bar>10> systems under ambient conditions. The results show that the resolved shear stresses on a given twin system on the twin-parent grain interface and in the parent are highly inhomogeneous. We use the calculated mechanical fields to determine whether the twin evolution occurs via thickening of the existing twin lamella or formation of a second twin lamella. The analysis suggests that the driving force for thickening the existing twin lamella is low and that formation of multiple twin lamellae is energetically more favorable. The overall modeling framework and insight into why twins in U tend to be thin are described and discussed in this paper. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Ardeljan, Milan; Knezevic, Marko] Univ New Hampshire, Dept Mech Engn, Durham, NH 03824 USA.
[McCabe, Rodney J.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA.
[Beyerlein, Irene J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Knezevic, M (reprint author), Univ New Hampshire, Dept Mech Engn, 33 Acad Way,Kingsbury Hall,W119, Durham, NH 03824 USA.
EM marko.knezevic@unh.edu
RI Beyerlein, Irene/A-4676-2011;
OI McCabe, Rodney /0000-0002-6684-7410
FU G.T. Seaborg Institute for Transactinium Science through the Seaborg
Summer Research Fellowship Program; Los Alamos National Laboratory
[277871]; Laboratory Directed Research and Development [20140348ER,
20140630ER]
FX M.A. wishes to acknowledge support by the G.T. Seaborg Institute for
Transactinium Science through the Seaborg Summer Research Fellowship
Program. M.K. acknowledges subcontract, No. 277871, granted by Los
Alamos National Laboratory to the University of New Hampshire. I.J.B.
and R.J.M gratefully acknowledge support by a Laboratory Directed
Research and Development grants 20140348ER and 20140630ER, respectively.
NR 78
TC 25
Z9 25
U1 7
U2 22
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0045-7825
EI 1879-2138
J9 COMPUT METHOD APPL M
JI Comput. Meth. Appl. Mech. Eng.
PD OCT 1
PY 2015
VL 295
BP 396
EP 413
DI 10.1016/j.cma.2015.07.003
PG 18
WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary
Applications; Mechanics
SC Engineering; Mathematics; Mechanics
GA CR6YO
UT WOS:000361494700019
ER
PT J
AU Wu, WT
Yang, F
Antaki, JF
Aubry, N
Massoudi, M
AF Wu, Wei-Tao
Yang, Fang
Antaki, James F.
Aubry, Nadine
Massoudi, Mehrdad
TI Study of blood flow in several benchmark micro-channels using a
two-fluid approach
SO INTERNATIONAL JOURNAL OF ENGINEERING SCIENCE
LA English
DT Article
DE Blood; Micro-channels; Two-component flow; Mixture theory;
Shear-thinning; Crevices
ID NON-LINEAR DIFFUSION; COMPUTATIONAL SIMULATION; PLATELET INTERACTION;
MATHEMATICAL-MODEL; CONTINUUM-THEORIES; CELL-VOLUME; VESSEL WALL;
MIXTURES; VISCOSITY; ACTIVATION
AB It is known that in a vessel whose characteristic dimension (e.g., its diameter) is in the range of 20-500 mu m, blood behaves as a non-Newtonian fluid, exhibiting complex phenomena, such as shear-thinning, stress relaxation, and also multi-component behaviors, such as the Fahraeus effect, plasma-skimming, etc. For describing these non-Newtonian and multi-component characteristics of blood, using the framework of mixture theory, a two-fluid model is applied, where the plasma is treated as a Newtonian fluid and the red blood cells (RBCs) are treated as shear-thinning fluid. A computational fluid dynamic (CFD) simulation incorporating the constitutive model was implemented using OpenFOAM (R) in which benchmark problems including a sudden expansion and various driven slots and crevices were studied numerically. The numerical results exhibited good agreement with the experimental observations with respect to both the velocity field and the volume fraction distribution of RBCs. Published by Elsevier Ltd.
C1 [Wu, Wei-Tao] Carnegie Mellon Univ, Dept Mech Engn, Pittsburgh, PA 15213 USA.
[Yang, Fang; Antaki, James F.] Carnegie Mellon Univ, Dept Biomed Engn, Pittsburgh, PA 15213 USA.
[Aubry, Nadine] Northeastern Univ, Dept Mech Engn, Boston, MA 02115 USA.
[Massoudi, Mehrdad] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
RP Massoudi, M (reprint author), US DOE, Natl Energy Technol Lab, 626 Cochrans Mill Rd,POB 10940, Pittsburgh, PA 15236 USA.
EM MASSOUDI@NETL.DOE.GOV
RI Antaki, James/S-3051-2016
OI Antaki, James/0000-0002-5430-7353
FU NIH Grant [1 R01 HL089456]
FX This research was supported by NIH Grant 1 R01 HL089456.
NR 71
TC 8
Z9 8
U1 0
U2 17
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0020-7225
EI 1879-2197
J9 INT J ENG SCI
JI Int. J. Eng. Sci.
PD OCT
PY 2015
VL 95
BP 49
EP 59
DI 10.1016/j.ijengsci.2015.06.004
PG 11
WC Engineering, Multidisciplinary
SC Engineering
GA CR3VS
UT WOS:000361261800004
PM 26240438
ER
PT J
AU Clarke, AJ
AF Clarke, Amy J.
TI Phase Transformations and Microstructural Evolution: Part I
SO JOM
LA English
DT Article
C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Clarke, AJ (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM aclarke@lanl.gov
NR 0
TC 0
Z9 0
U1 1
U2 3
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 OCT
PY 2015
VL 67
IS 10
BP 2200
EP 2201
DI 10.1007/s11837-015-1601-7
PG 2
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CR6WO
UT WOS:000361489100010
ER
PT J
AU Capdevila, C
Pimentel, G
Aranda, MM
Rementeria, R
Dawson, K
Urones-Garrote, E
Tatlock, GJ
Miller, MK
AF Capdevila, C.
Pimentel, G.
Aranda, M. M.
Rementeria, R.
Dawson, K.
Urones-Garrote, E.
Tatlock, G. J.
Miller, M. K.
TI Role of Y-Al Oxides During Extended Recovery Process of a Ferritic ODS
Alloy
SO JOM
LA English
DT Article
ID DISPERSION-STRENGTHENED ALLOY; STRAIN HETEROGENEITY; FE20CR5AL ALLOY;
PM2000 ALLOY; RECRYSTALLIZATION; BEHAVIOR; STEELS; DEFORMATION;
EVOLUTION; GRAINS
AB The microstructural stability of Y-Al oxides during the recrystallization of Fe-Cr-Al oxide dispersion strengthened alloy is studied in this work. The goal is to determine the specific distribution pattern of oxides depending where they are located: in the matrix or at the grain boundaries. It was concluded that those located at the grain boundaries yielded a faster coarsening than the ones in the matrix, although no significant differences in composition and/or crystal structure were observed. However, the recrystallization heat treatment leads to the dissolution of the Y2O3 and its combination with Al to form the YAlO3 perovskite oxide particles process, mainly located at the grain boundaries. Finally, atom probe tomography analysis revealed a significant Ti build-up at the grain boundaries that might affect subsequent migration during recrystallization.
C1 [Capdevila, C.; Pimentel, G.; Aranda, M. M.; Rementeria, R.] CSIC, CENIM, Natl Ctr Met Res, Mat Grp,Dept Phys Met, E-28040 Madrid, Spain.
[Dawson, K.; Tatlock, G. J.] Univ Liverpool, Sch Engn, Ctr Mat & Struct, Liverpool L69 3GH, Merseyside, England.
[Urones-Garrote, E.] Univ Complutense Madrid, Natl Ctr Electron Microscopy CNME, E-28040 Madrid, Spain.
[Miller, M. K.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Capdevila, C (reprint author), CSIC, CENIM, Natl Ctr Met Res, Mat Grp,Dept Phys Met, Avda Gregorio del Amo 8, E-28040 Madrid, Spain.
EM ccm@cenim.csic.es
OI Dawson, Karl/0000-0003-3249-8328; Rementeria,
Rosalia/0000-0003-2364-7344
FU Coordinate Project in the Energy Area of Plan Nacional
[ENE2009-13766-C04-01]; MINECO [BES-2010-032747]; ORNL (USA)
[EEBB-I-12-03885]; University of Liverpool (UK) [EEBB-I-2013-07176]
FX PM 2000 (TM) is a trademark of Plansee GmbH. LEAP (R) is a registered
trademark of Cameca Instruments, Inc. CC and GP acknowledge financial
support to Spanish Ministerio de Ciencia e Innovacion in the form of a
Coordinate Project in the Energy Area of Plan Nacional 2009
(ENE2009-13766-C04-01). GP, KD, TB, and GJT acknowledge the NiCaL Centre
of the University of Liverpool. Atom probe tomography (MKM) was
conducted at the Center for Nanophase Materials Sciences, which is a DOE
Office of Science User Facility. GP acknowledges the MINECO for
supporting her research under a FPI Grant (BES-2010-032747) and two
summer internship grants: EEBB-I-12-03885 at the ORNL (USA) and
EEBB-I-2013-07176 at the University of Liverpool (UK).
NR 27
TC 2
Z9 2
U1 2
U2 13
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 OCT
PY 2015
VL 67
IS 10
BP 2208
EP 2215
DI 10.1007/s11837-015-1559-5
PG 8
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CR6WO
UT WOS:000361489100012
ER
PT J
AU Garfinkel, DA
Poplawsky, JD
Guo, W
Young, GA
Tucker, JD
AF Garfinkel, David A.
Poplawsky, Jonathan D.
Guo, Wei
Young, George A.
Tucker, Julie D.
TI Phase Separation in Lean-Grade Duplex Stainless Steel 2101
SO JOM
LA English
DT Article
ID ATOM-PROBE TOMOGRAPHY; THERMAL EMBRITTLEMENT
AB The use of duplex stainless steels (DSS) in nuclear power generation systems is limited by thermal instability that leads to embrittlement in the temperature range of 204A degrees C to 538A degrees C. New lean-grade alloys, such as 2101, offer the potential to mitigate these effects. Thermal embrittlement was quantified through impact toughness and hardness testing on samples of alloy 2101 after aging at 427A degrees C for various durations (1-10,000 h). Additionally, atom probe tomography (APT) was utilized in order to observe the kinetics of alpha-alpha' separation and G-phase formation. Mechanical testing and APT data for two other DSS alloys, 2003 and 2205, were used as a reference to 2101. The results show that alloy 2101 exhibits superior performance compared to the standard-grade DSS alloy 2205 but inferior to the lean-grade alloy 2003 in mechanical testing. APT data demonstrate that the degree of alpha-alpha' separation found in alloy 2101 closely resembles that of 2205 and greatly exceeds 2003. Additionally, contrary to what was observed in 2003, 2101 demonstrated G-phase like precipitates after long aging times, although precipitates were not as abundant as was observed in 2205.
C1 [Garfinkel, David A.; Tucker, Julie D.] Oregon State Univ, Sch Mech Ind & Mfg Engn, Corvallis, OR 97331 USA.
[Poplawsky, Jonathan D.; Guo, Wei] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN USA.
[Young, George A.] Knolls Atom Power Lab, Schenectady, NY USA.
RP Garfinkel, DA (reprint author), Oregon State Univ, Sch Mech Ind & Mfg Engn, Corvallis, OR 97331 USA.
EM julie.tucker@oregonstate.edu
RI Poplawsky, Jonathan/Q-2456-2015; guo, wei/Q-2766-2015
OI Poplawsky, Jonathan/0000-0002-4272-7043; guo, wei/0000-0002-9534-1902
FU ORNL's Center for Nanophase Materials Sciences (CNMS), which is a DOE
Office of Science User Facility
FX This research was supported by ORNL's Center for Nanophase Materials
Sciences (CNMS), which is a DOE Office of Science User Facility.
NR 15
TC 2
Z9 2
U1 2
U2 8
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 OCT
PY 2015
VL 67
IS 10
BP 2216
EP 2222
DI 10.1007/s11837-015-1581-7
PG 7
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CR6WO
UT WOS:000361489100013
ER
PT J
AU Gao, MC
AF Gao, Michael C.
TI Progress in High Entropy Alloys
SO JOM
LA English
DT Editorial Material
ID FOREWORD
C1 Natl Energy Technol Lab, AECOM, Albany, OR 97321 USA.
RP Gao, MC (reprint author), Natl Energy Technol Lab, AECOM, 1450 Queen Ave SW, Albany, OR 97321 USA.
EM michael.gao@netl.doe.gov
NR 10
TC 2
Z9 2
U1 3
U2 34
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 OCT
PY 2015
VL 67
IS 10
BP 2251
EP 2253
DI 10.1007/s11837-015-1609-z
PG 3
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CR6WO
UT WOS:000361489100017
ER
PT J
AU Gludovatz, B
George, EP
Ritchie, RO
AF Gludovatz, Bernd
George, Easo P.
Ritchie, Robert O.
TI Processing, Microstructure and Mechanical Properties of the CrMnFeCoNi
High-Entropy Alloy
SO JOM
LA English
DT Article
ID PHASE-STABILITY; SINGLE-PHASE; ELASTIC-MODULI; TEMPERATURES;
DEFORMATION; STRENGTH; DESIGN
AB Equiatomic multi-component alloys, referred to variously as high-entropy alloys, multi-component alloys, or compositionally complex alloys in the literature, have recently received significant attention in the materials science community. Some of these alloys can display a good combination of mechanical properties. Here, we review recent work on the processing, microstructure and mechanical properties of one of the first and most studied high-entropy alloys, namely the single-phase, face-centered cubic alloy CrMnFeCoNi, with emphasis on its excellent damage tolerance (strength with toughness) in the temperature range from room temperature down to liquid nitrogen temperature.
C1 [Gludovatz, Bernd; Ritchie, Robert O.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[George, Easo P.] Ruhr Univ, Inst Mat, D-44801 Bochum, Germany.
[Ritchie, Robert O.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
RP Gludovatz, B (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
EM bpgludovatz@lbl.gov
RI Ritchie, Robert/A-8066-2008;
OI Ritchie, Robert/0000-0002-0501-6998; Gludovatz,
Bernd/0000-0002-2420-3879
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Materials Sciences and Engineering Division
FX This research was sponsored by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, Materials Sciences and
Engineering Division.
NR 26
TC 14
Z9 14
U1 20
U2 92
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 OCT
PY 2015
VL 67
IS 10
BP 2262
EP 2270
DI 10.1007/s11837-015-1589-z
PG 9
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CR6WO
UT WOS:000361489100019
ER
PT J
AU Jablonski, PD
Licavoli, JJ
Gao, MC
Hawk, JA
AF Jablonski, Paul D.
Licavoli, Joseph J.
Gao, Michael C.
Hawk, Jeffrey A.
TI Manufacturing of High Entropy Alloys
SO JOM
LA English
DT Article
ID SOLID-SOLUTION ALLOYS; PHASE-STABILITY; GRAIN-GROWTH; MICROSTRUCTURE;
EVOLUTION
AB High entropy alloys (HEAs) have generated interest in recent years due to their unique positioning within the alloy world. By incorporating a number of elements in high proportion they have high configurational entropy, and thus they hold the promise of interesting and useful properties such as enhanced strength and phase stability. The present study investigates the microstructure of two single-phase face-centered cubic (FCC) HEAs, CoCrFeNi and CoCrFeNiMn, with special attention given to melting, homogenization and thermo-mechanical processing. Large-scale ingots were made by vacuum induction melting to avoid the extrinsic factors inherent in small-scale laboratory button samples. A computationally based homogenization heat treatment was applied to both alloys in order to eliminate segregation due to normal ingot solidification. The alloys fabricated well, with typical thermo-mechanical processing parameters being employed.
C1 [Jablonski, Paul D.; Licavoli, Joseph J.; Gao, Michael C.; Hawk, Jeffrey A.] Natl Energy Technol Lab, Albany, OR 97321 USA.
[Gao, Michael C.] AECOM, Albany, OR USA.
RP Jablonski, PD (reprint author), Natl Energy Technol Lab, Albany, OR 97321 USA.
EM paul.jablonski@netl.doe.gov
FU Innovative Processing and Technologies Program of the National Energy
Technology Laboratory's (NETL) Strategic Center for Coal under the RES
[DE-FE-0004000]
FX This research was performed in support of the Innovative Processing and
Technologies Program of the National Energy Technology Laboratory's
(NETL) Strategic Center for Coal under the RES contract DE-FE-0004000.
The authors would like to thank Paul Danielson for preparing the SEM
samples and optical micrographs; Richard Chin for performing WDXRF
analysis; John Sears for preparing and examining TEM specimens; and
Christopher Powell for performing tensile tests.
NR 21
TC 1
Z9 1
U1 9
U2 37
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 OCT
PY 2015
VL 67
IS 10
BP 2278
EP 2287
DI 10.1007/s11837-015-1540-3
PG 10
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CR6WO
UT WOS:000361489100021
ER
PT J
AU Chen, SY
Xie, X
Chen, BL
Qiao, JW
Zhang, Y
Ren, Y
Dahmen, KA
Liaw, PK
AF Chen, Shuying
Xie, Xie
Chen, Bilin
Qiao, Junwei
Zhang, Yong
Ren, Yang
Dahmen, Karin A.
Liaw, Peter K.
TI Effects of Temperature on Serrated Flows of Al0.5CoCrCuFeNi High-Entropy
Alloy
SO JOM
LA English
DT Article
ID BULK METALLIC-GLASS; MULTIPRINCIPAL ELEMENTS; MULTICOMPONENT ALLOYS;
PRINCIPAL ELEMENTS; CRITICAL STRAIN; JERKY-FLOW; SI ALLOY; BEHAVIOR;
DEFORMATION; SYSTEM
AB Compression behavior of the Al0.5CoCrCuFeNi high-entropy alloy (HEA) was studied at different temperatures from 673 K to 873 K at a low strain rate of 5 x 10(-5)/s to investigate the temperature effect on the mechanical properties and serration behavior. The face-centered-cubic (fcc) structure is confirmed at the lower temperature of 673 K and 773 K, and a structure of mixed fcc and body-centered cubic (bcc) is identified at a higher temperature of 873 K after compression tests using high-energy synchrotron x-ray diffraction. By comparing the stress-strain curves at different temperatures, two opposite directions of serrations types were found, named upward serrations appearing at 673 K and 773 K and downward serrations at 873 K, which may be due to dynamic strain aging.
C1 [Chen, Shuying; Xie, Xie; Chen, Bilin; Liaw, Peter K.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Qiao, Junwei] Taiyuan Univ Technol, Coll Mat Sci & Engn, Taiyuan 030024, Peoples R China.
[Zhang, Yong] Univ Sci & Technol Beijing, State Key Lab Adv Met & Mat, Beijing 100083, Peoples R China.
[Ren, Yang] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA.
[Dahmen, Karin A.] Univ Illinois, Dept Phys, Champaign, IL USA.
RP Chen, SY (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
EM pliaw@utk.edu
RI ZHANG, Yong/B-7928-2009
OI ZHANG, Yong/0000-0002-6355-9923
FU National Science Foundation [DMR-0909037, CMMI-0900291, CMMI-1100080];
Department of Energy Office of Nuclear Energy's Nuclear Energy
University Programs (NEUP) [00119262]; DOE Office of Fossil Energy, NETL
[DE-FE0008855, DE-FE-0024054, DE-FE-0011194]; U.S. Army Office
[W911NF-13-1-0438]; Youth Natural Science Foundation of Shanxi Province,
China [2015021005]; DOE Office of Science [DE-AC02-06CH11357]; National
High Technology Research and Development Program of China
[2009AA03Z113]; National Science Foundation of China [51471025,
51210105006]; 111 Project [B07003]; Program for Changjiang Scholars and
the Innovative Research Team of the University
FX The National Science Foundation (DMR-0909037, CMMI-0900291 and
CMMI-1100080), the Department of Energy Office of Nuclear Energy's
Nuclear Energy University Programs (NEUP, Grant 00119262), and the DOE
Office of Fossil Energy, NETL (DE-FE0008855, DE-FE-0024054, and
DE-FE-0011194), with Drs. C.V. Cooper, A. Ardell, Z.M. Taleff, R.O.
Jenseng Jr., L. Tian, V. Cedro, R. Dumt, S. Lesica, S. Markovich, and J.
Mullen as program managers, provided additional funding, particularly
for K.A.D. at University of Illinois at Urbana Champaign and S.C., X.X.,
and P.K.L. at The University of Tennessee. X.X. and P.K.L. very much
appreciates the support from the U.S. Army Office Project
(W911NF-13-1-0438) with the program managers, Drs. S.N. Mathaudhu and
D.M. Stepp. J.W.Q. would like to acknowledge the financial support of
the Youth Natural Science Foundation of Shanxi Province, China (No.
2015021005). The current research used resources of the Advanced Photon
Source, a U.S. Department of Energy Office of Science User Facility
operated for the DOE Office of Science by the Argonne National
Laboratory under Contract No. DE-AC02-06CH11357. Y.Z. appreciates the
financial support of the National High Technology Research and
Development Program of China (No. 2009AA03Z113) and the National Science
Foundation of China (Nos. 51471025 and 51210105006), 111 Project
(B07003), and the Program for Changjiang Scholars and the Innovative
Research Team of the University.
NR 42
TC 4
Z9 4
U1 13
U2 52
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 OCT
PY 2015
VL 67
IS 10
BP 2314
EP 2320
DI 10.1007/s11837-015-1580-8
PG 7
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CR6WO
UT WOS:000361489100026
ER
PT J
AU Diao, HY
Santodonato, LJ
Tang, Z
Egami, T
Liaw, PK
AF Diao, Haoyan
Santodonato, Louis J.
Tang, Zhi
Egami, Takeshi
Liaw, Peter K.
TI Local Structures of High-Entropy Alloys (HEAs) on Atomic Scales: An
Overview
SO JOM
LA English
DT Article
ID PRINCIPAL-ELEMENT ALLOYS; MECHANICAL-PROPERTIES; CORROSION-RESISTANCE;
PROBE TOMOGRAPHY; PHASE-SEPARATION; SINGLE-PHASE; MICROSTRUCTURE;
DECOMPOSITION; STABILITY; BEHAVIOR
AB The high-entropy alloys, containing several elements mixed in equimolar or near-equimolar ratios, have shown exceptional engineering properties. Local structures on the atomic level are essential to understand the mechanical behaviors and related mechanisms. In this article, the local structure and stress on the atomic level are reviewed by the pair-distribution function of neutron-diffraction data, ab-initio molecular dynamics simulations, and the atomic probe microscopy.
C1 [Diao, Haoyan; Santodonato, Louis J.; Tang, Zhi; Egami, Takeshi; Liaw, Peter K.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Santodonato, Louis J.] Oak Ridge Natl Lab, Instrument & Source Div, Oak Ridge, TN 37831 USA.
[Tang, Zhi] Virginia Tech, Dept Mat Sci & Engn, Blacksburg, VA 24061 USA.
[Egami, Takeshi] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Egami, Takeshi] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA.
RP Diao, HY (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
EM pliaw@utk.edu
RI Santodonato, Louis/A-9523-2015
OI Santodonato, Louis/0000-0002-4600-685X
FU U.S. Army Research Office [W911NF-13-1-0438]; Department of Energy,
Office of Sciences, Basic Energy Sciences, Materials Science and
Engineering Division; National Science Foundation [CMMI-1100080];
[DE-FE-0011194]
FX H.Y.D., L.J.S., and P.K.L. would like to acknowledge the Department of
Energy (DOE), Office of Fossil Energy, National Energy Technology
Laboratory (DE-FE-0008855 and DE-FE-0024054), with Mr. V. Cedro and Mr.
R. Dunst as program managers. P.K.L. thanks the support from the project
of DE-FE-0011194 with the program manager, Dr. J. Mullen. P.K.L. very
much appreciates the support of the U.S. Army Research Office project
(W911NF-13-1-0438) with the program manager, Dr. D.M. Stepp. T.E. was
supported by the Department of Energy, Office of Sciences, Basic Energy
Sciences, Materials Science and Engineering Division. P.K.L. thanks the
support from the National Science Foundation (CMMI-1100080) with the
program director, Dr. C. Cooper.
NR 34
TC 4
Z9 4
U1 25
U2 97
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 OCT
PY 2015
VL 67
IS 10
BP 2321
EP 2325
DI 10.1007/s11837-015-1591-5
PG 5
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CR6WO
UT WOS:000361489100027
ER
PT J
AU Holcomb, GR
Tylczak, J
Carney, C
AF Holcomb, Gordon R.
Tylczak, Joseph
Carney, Casey
TI Oxidation of CoCrFeMnNi High Entropy Alloys
SO JOM
LA English
DT Article
ID DIFFUSION; MANGANESE; ADDITIONS; CHROMIUM; FUTURE
AB Eight model high entropy alloys (HEAs) in the CoCrFeMnNi family (including one alloy each in the CoCrFeNi and CoFeMnNi subfamilies) were made, prepared, and exposed to laboratory air for 1100 h at 650A degrees C and 750A degrees C. Two commercial alloys, nickel-base superalloy 230 (N06230) and austenitic stainless steel 304H (S30409), were simultaneously exposed for comparison. Mass change oxidation kinetics were measured and cross-sections of exposed samples were observed. Seven of these HEAs contained much more Mn (12-24 wt.%) than is found in commercial heat-resistant stainless steels and superalloys. The oxidation resistance of CoCrFeNi was excellent and comparable to 304H at 650A degrees C and only slightly worse at 750A degrees C. The thin oxide scale on CoCrFeNi was primarily Cr oxide (presumably Cr2O3) with some Mn oxide at the outer part of the scale. The CoCrFeMnNi HEAs all experienced more rapid oxidation than CoCrFeNi and, especially at 750A degrees C, experienced oxide scale spallation. The addition of Y in the alloy to lower S improved the oxidation resistance of these HEAs. Alloy CoFeMnNi, without Cr, experienced much higher oxidation rates and scale spallation than the Cr-containing alloys. A linear regression analysis of the log of the parabolic rate constant, log(k(p)), as functions of wt.% Cr and Mn found a good correlation for the compositional dependence of the oxidation rate constant, especially at 650A degrees C. Mn was found to be more detrimental increasing log(k (p)) than Cr was helpful reducing log(k (p)). If CoCrFeMnNi HEAs are to be used in high temperature oxidizing environments, then examining lower levels of Mn, while maintaining Cr levels, should be pursued.
C1 [Holcomb, Gordon R.; Tylczak, Joseph; Carney, Casey] Natl Energy Technol Lab, Albany, OR 97321 USA.
[Carney, Casey] AECOM, Albany, OR 97321 USA.
RP Holcomb, GR (reprint author), Natl Energy Technol Lab, 1450 Queen Ave SW, Albany, OR 97321 USA.
EM Gordon.Holcomb@netl.doe.gov
RI Holcomb, Gordon/G-9070-2013
OI Holcomb, Gordon/0000-0003-3542-5319
FU Cross-Cutting Technologies Program at the National Energy Technology
Laboratory (NETL) - Strategic Center for Coal; United States Government
FX This work was funded by the Cross-Cutting Technologies Program at the
National Energy Technology Laboratory (NETL) - Strategic Center for
Coal, managed by Robert Romanosky (Technology Manager) and Charles
Miller (Technology Monitor). The Research was executed through NETL's
Office of Research and Development's Innovative Process Technologies
(IPT) Field Work Proposal. This report was prepared as an account of
work sponsored by 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.
NR 24
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U1 12
U2 50
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 OCT
PY 2015
VL 67
IS 10
BP 2326
EP 2339
DI 10.1007/s11837-015-1517-2
PG 14
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CR6WO
UT WOS:000361489100028
ER
PT J
AU Egami, T
Ojha, M
Khorgolkhuu, O
Nicholson, DM
Stocks, GM
AF Egami, T.
Ojha, M.
Khorgolkhuu, O.
Nicholson, D. M.
Stocks, G. M.
TI Local Electronic Effects and Irradiation Resistance in High-Entropy
Alloys
SO JOM
LA English
DT Article
ID SOLID-STATE AMORPHIZATION; INDUCED STRUCTURAL-CHANGE; HF-NB ALLOY;
METALLIC-GLASS; MULTICOMPONENT ALLOYS; COMPUTER-SIMULATION;
FLUCTUATIONS; TEMPERATURE; FORMABILITY; STRENGTH
AB High-entropy alloys are multicomponent solid solutions in which various elements with different chemistries and sizes occupy the same crystallographic lattice sites. Thus, none of the atoms perfectly fit the lattice site, giving rise to considerable local lattice distortions and atomic-level stresses. These characteristics can be beneficial for performance under radiation and in a high-temperature environment, making them attractive candidates as nuclear materials. We discuss electronic origin of the atomic-level stresses based upon first-principles calculations using a density functional theory approach.
C1 [Egami, T.] Univ Tennessee, Joint Inst Neutron Sci, Knoxville, TN 37996 USA.
[Egami, T.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Egami, T.; Ojha, M.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA.
[Khorgolkhuu, O.] Univ Tennessee, Joint Inst Computat Sci, Oak Ridge, TN 37831 USA.
[Egami, T.; Khorgolkhuu, O.; Stocks, G. M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Nicholson, D. M.] Univ N Carolina, Dept Phys, Asheville, NC 28804 USA.
RP Egami, T (reprint author), Univ Tennessee, Joint Inst Neutron Sci, Knoxville, TN 37996 USA.
EM egami@utk.edu
RI Stocks, George Malcollm/Q-1251-2016
OI Stocks, George Malcollm/0000-0002-9013-260X
FU Department of Energy, Office of Science, Basic Energy Sciences,
Materials Sciences and Engineering Division; Office of Science of the
Department of Energy [DE-AC05-00OR22725]
FX This work was supported by the Department of Energy, Office of Science,
Basic Energy Sciences, Materials Sciences and Engineering Division. Part
of this research used resources of the Oak Ridge Leadership Computing
Facility at Oak Ridge National Laboratory, which is supported by the
Office of Science of the Department of Energy under contract
DE-AC05-00OR22725.
NR 35
TC 5
Z9 5
U1 12
U2 64
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 OCT
PY 2015
VL 67
IS 10
BP 2345
EP 2349
DI 10.1007/s11837-015-1579-1
PG 5
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CR6WO
UT WOS:000361489100030
ER
PT J
AU Troparevsky, MC
Morris, JR
Daene, M
Wang, Y
Lupini, AR
Stocks, GM
AF Troparevsky, M. Claudia
Morris, James R.
Daene, Markus
Wang, Yang
Lupini, Andrew R.
Stocks, G. Malcolm
TI Beyond Atomic Sizes and Hume-Rothery Rules: Understanding and Predicting
High-Entropy Alloys
SO JOM
LA English
DT Article
ID COHERENT-POTENTIAL-APPROXIMATION; DENSITY-FUNCTIONAL THEORY; PRINCIPAL
ELEMENT ALLOYS; MULTICOMPONENT ALLOYS; SOLID-SOLUTION; PHASE;
MICROSTRUCTURE; IRON; BEHAVIOR; DESIGN
AB High-entropy alloys constitute a new class of materials that provide an excellent combination of strength, ductility, thermal stability, and oxidation resistance. Although they have attracted extensive attention due to their potential applications, little is known about why these compounds are stable or how to predict which combination of elements will form a single phase. In this article, we present a review of the latest research done on these alloys focusing on the theoretical models devised during the last decade. We discuss semiempirical methods based on the Hume-Rothery rules and stability criteria based on enthalpies of mixing and size mismatch. To provide insights into the electronic and magnetic properties of high-entropy alloys, we show the results of first-principles calculations of the electronic structure of the disordered solid-solution phase based on both Korringa-Kohn-Rostoker coherent potential approximation and large supercell models of example face-centered cubic and body-centered cubic systems. We also discuss in detail a model based on enthalpy considerations that can predict which elemental combinations are most likely to form a single-phase high-entropy alloy. The enthalpies are evaluated via first-principles "high-throughput" density functional theory calculations of the energies of formation of binary compounds, and therefore it requires no experimental or empirically derived input. The model correctly accounts for the specific combinations of metallic elements that are known to form single-phase alloys while rejecting similar combinations that have been tried and shown not to be single phase.
C1 [Troparevsky, M. Claudia; Lupini, Andrew R.; Stocks, G. Malcolm] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Morris, James R.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Daene, Markus] Lawrence Livermore Natl Lab, Phys & Life Sci, Livermore, CA 94551 USA.
[Wang, Yang] Carnegie Mellon Univ, Pittsburgh Supercomp Ctr, Pittsburgh, PA 15213 USA.
RP Troparevsky, MC (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
EM troparevskym@ornl.gov
RI Morris, J/I-4452-2012; Stocks, George Malcollm/Q-1251-2016
OI Morris, J/0000-0002-8464-9047; Stocks, George
Malcollm/0000-0002-9013-260X
FU U.S. Department of Energy, Basic Energy Sciences, Division of Materials
Sciences and Engineering; Office of Science of the Department of Energy
[DE-AC05-00OR22725]; Laboratory Directed Research and Development
Program at Lawrence Livermore National Laboratory [13-ERD-044]; U.S.
Department of Energy, National Nuclear Security Administration
[DE-AC52-07NA27344]
FX This research was supported by the U.S. Department of Energy, Basic
Energy Sciences, Division of Materials Sciences and Engineering (M.C.T.,
G.M.S., J.R.M., and A.R.L.). This research used resources of the Oak
Ridge Leadership Computing Facility at Oak Ridge National Laboratory,
which is supported by the Office of Science of the Department of Energy
under Contract DE-AC05-00OR22725. The work of M.D. was supported by the
Laboratory Directed Research and Development Program at Lawrence
Livermore National Laboratory under tracking code No. 13-ERD-044.
Lawrence Livermore National Laboratory is operated by Lawrence Livermore
National Security, LLC, for the U.S. Department of Energy, National
Nuclear Security Administration under Contract DE-AC52-07NA27344.
NR 56
TC 11
Z9 11
U1 20
U2 88
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 OCT
PY 2015
VL 67
IS 10
BP 2350
EP 2363
DI 10.1007/s11837-015-1594-2
PG 14
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CR6WO
UT WOS:000361489100031
ER
PT J
AU Li, J
Pan, SY
Kim, H
Linn, JH
Chiang, PC
AF Li, Jacqueline
Pan, Shu-Yuan
Kim, Hyunook
Linn, Jean H.
Chiang, Pen-Chi
TI Building green supply chains in eco-industrial parks towards a green
economy: Barriers and strategies
SO JOURNAL OF ENVIRONMENTAL MANAGEMENT
LA English
DT Article
DE CO2 reduction; Waste-to-resource; Industrial park; Iron and steel-making
industry; Petrochemical industry; Paper and pulping industry
ID COMBINED HEAT; PERFORMANCE; SYSTEM; TECHNOLOGIES; REDUCTION; EMISSIONS;
SYMBIOSIS; BUSINESS; CYCLES; CHINA
AB As suggested by UNEP, the key to sustainable development is to create a "green economy" which should encapsulate all three sectors: the industry, the people, and the government. Therefore, there is an urgent need to develop and implement the green technologies into the existing facilities, especially in the developing countries. In this study, the role of green supply chains in eco-industrial parks (EIPs) towards a green economy was investigated. The strategies and effective evaluation procedures of the green economy were proposed by assessing the barriers from the perspective of institution, regulation, technology, and finance. In addition, three case studies from iron and steel-making, paper mill and pulping, and petrochemical industries were presented and illustrated for building the green supply chains. For example, in the case of Lin-Hai Industrial Park, a total of 15 efficient green supply chains using waste-to-resources technologies were established by 2012, resulting in an economic benefit of USD 100 million per year. It suggests that the green supply chains should be established to achieve both economic growth and environmental protection. With these successful experiences, building a green supply chain within industrial park should be extensively promoted to make traditional industries around the world being environmentally bearable, economic viable, and social equitable. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Li, Jacqueline] Wellesley Coll, Wellesley, MA 02481 USA.
[Pan, Shu-Yuan; Chiang, Pen-Chi] Natl Taiwan Univ, Grad Inst Environm Engn, Taipei 10673, Taiwan.
[Pan, Shu-Yuan] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA.
[Kim, Hyunook] Univ Seoul, Dept Energy & Environm Syst Engn, Seoul, South Korea.
[Linn, Jean H.] Green Solut Inc, Potomac, MD 20854 USA.
RP Chiang, PC (reprint author), Natl Taiwan Univ, Grad Inst Environm Engn, 71 Chou Shan Rd, Taipei 10673, Taiwan.
EM pcchiang@ntu.edu.tw
RI Pan, Shu-Yuan/A-3199-2017
OI Pan, Shu-Yuan/0000-0003-2082-4077
FU Ministry of Science and Technology (MOST) of Taiwan (R.O.C.) [MOST
104-3113-E-007-001, 103-2911-1-002-596]; R&D Program of MKE/KEIT
[10037331]
FX High appreciation goes to the Ministry of Science and Technology (MOST)
of Taiwan (R.O.C.) under Grant Number MOST 104-3113-E-007-001 and
103-2911-1-002-596 for the financial support. In addition, Prof. H. Kim
was supported by the R&D Program of MKE/KEIT (10037331, Development of
Core Water Treatment Technologies based on Intelligent BT-NT-IT Fusion
Platform).
NR 45
TC 4
Z9 4
U1 7
U2 83
PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD
PI LONDON
PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND
SN 0301-4797
EI 1095-8630
J9 J ENVIRON MANAGE
JI J. Environ. Manage.
PD OCT 1
PY 2015
VL 162
BP 158
EP 170
DI 10.1016/j.jenvman.2015.07.030
PG 13
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA CR3WU
UT WOS:000361264600019
PM 26241931
ER
PT J
AU Eslinger, PW
Cameron, IM
Dumais, JR
Imardjoko, Y
Marsoem, P
McIntyre, JI
Miley, HS
Stoehlker, U
Widodo, S
Woods, VT
AF Eslinger, Paul W.
Cameron, Ian M.
Dumais, Johannes Robert
Imardjoko, Yudi
Marsoem, Pujadi
McIntyre, Justin I.
Miley, Harry S.
Stoehlker, Ulrich
Widodo, Susilo
Woods, Vincent T.
TI Source term estimates of radioxenon released from the BaTek medical
isotope production facility using external measured air concentrations
SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY
LA English
DT Article
DE Medical isotope production; Xe-133; Source-term estimation; Atmospheric
modeling; CTBTO
ID INTERNATIONAL MONITORING-SYSTEM; NUCLEAR-EXPLOSIONS; CTBT VERIFICATION;
XENON; DISPERSION
AB BATAN Teknologi (BaTek) operates an isotope production facility in Serpong, Indonesia that supplies Tc-99m for use in medical procedures. Atmospheric releases of Xe-133 in the production process at BaTek are known to influence the measurements taken at the closest stations of the radionuclide network of the International Monitoring System (IMS). The purpose of the IMS is to detect evidence of nuclear explosions, including atmospheric releases of radionuclides. The major xenon isotopes released from BaTek are also produced in a nuclear explosion, but the isotopic ratios are different. Knowledge of the magnitude of releases from the isotope production facility helps inform analysts trying to decide if a specific measurement result could have originated from a nuclear explosion. A stack monitor deployed at BaTek in 2013 measured releases to the atmosphere for several isotopes. The facility operates on a weekly cycle, and the stack data for June 15-21, 2013 show a release of 1.84 x 10(13) Bq of Xe-133. Concentrations of Xe-133 in the air are available at the same time from a xenon sampler located 14 km from BaTek. An optimization process using atmospheric transport modeling and the sampler air concentrations produced a release estimate of 1.88 x 10(13) Bq. The same optimization process yielded a release estimate of 1.70 x 10(13) Bq for a different week in 2012. The stack release value and the two optimized estimates are all within 10% of each other. Unpublished production data and the release estimate from June 2013 yield a rough annual release estimate of 8 x 10(14) Bq of Xe-133 in 2014. These multiple lines of evidence cross-validate the stack release estimates and the release estimates based on atmospheric samplers. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Eslinger, Paul W.; Cameron, Ian M.; McIntyre, Justin I.; Miley, Harry S.; Woods, Vincent T.] Pacific Northwest Lab, Richland, WA 99354 USA.
[Dumais, Johannes Robert; Imardjoko, Yudi; Marsoem, Pujadi] PT BATAN Teknol, Puspiptek, Serpong, Indonesia.
[Stoehlker, Ulrich] Fed Off Radiat Protect, D-78098 Freiburg, Germany.
[Widodo, Susilo] Natl Nucl Energy Agcy Indonesia RATAN, Mampang Prapatan 12710, Jakarta, Indonesia.
RP Eslinger, PW (reprint author), Pacific Northwest Lab, MSIN K7-76,902 Battelle Blvd,POB 999, Richland, WA 99354 USA.
EM paul.w.eslinger@pnnl.gov; lan.cameron@pnnl.gov; dumais@batan.go.id;
yudi@batan.go.id; pujadi@batan.go.id; justin.McIntyre@pnnl.gov;
harry.miley@pnnl.gov; Ulrich.Stoehlker@CTBTO.ORG; swidodo@batan.go.id;
Vincent.Woods@pnnl.gov
RI McIntyre, Justin/P-1346-2014
OI McIntyre, Justin/0000-0002-3706-4310
FU U.S. Department of State and the Defense Threat Reduction Agency
FX The authors also wish to acknowledge the funding support of the U.S.
Department of State and the Defense Threat Reduction Agency.
NR 24
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U1 0
U2 4
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0265-931X
EI 1879-1700
J9 J ENVIRON RADIOACTIV
JI J. Environ. Radioact.
PD OCT
PY 2015
VL 148
BP 10
EP 15
DI 10.1016/j.jenvrad.2015.05.026
PG 6
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA CR2LT
UT WOS:000361162100002
PM 26093852
ER
PT J
AU Snow, MS
Clark, SB
Morrison, SS
Watrous, MG
Olson, JE
Snyder, DC
AF Snow, Mathew S.
Clark, Sue B.
Morrison, Samuel S.
Watrous, Matthew G.
Olson, John E.
Snyder, Darin C.
TI Mechanical environmental transport of actinides and Cs-137 from an arid
radioactive waste disposal site
SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY
LA English
DT Article
DE Plutonium; Americium; Pu; Am-241; Cs-137; Wind; Flood; Particulate
ID SNAKE RIVER PLAIN; VERTICAL MIGRATION; SOIL-EROSION; IDAHO SOIL;
PU-239,PU-240; CONTAMINATION; PLUTONIUM; PU-238; AM-241; RATES
AB Aeolian and pluvial processes represent important mechanisms for the movement of actinides and fission products at the Earth's surface. Soil samples taken in the early 1970's near a Department of Energy radioactive waste disposal site (the Subsurface Disposal Area, SDA, located in southeastern Idaho) provide a case study for studying the mechanisms and characteristics of environmental actinide and Cs-137 transport in an arid environment. Multi-component mixing models suggest actinide contamination within 2.5 km of the SDA can be described by mixing between 2 distinct SDA end members and regional nuclear weapons fallout. The absence of chemical fractionation between Am-241 and Pu239+240 with depth for samples beyond the northeastern corner and lack of 241Am in-growth over time (due to Pu-241 decay) suggest mechanical transport and mixing of discrete contaminated particles under arid conditions. Occasional samples northeast of the SDA (the direction of the prevailing winds) contain anomalously high concentrations of Pu with Pu-240/Pu-239 isotopic ratios statistically identical to those in the northeastern corner. Taken together, these data suggest flooding resulted in mechanical transport of contaminated particles into the area between the SDA and a flood containment dike in the northeastern corner, following which subsequent contamination spreading in the northeastern direction resulted from wind transport of discrete particles. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Snow, Mathew S.; Clark, Sue B.; Morrison, Samuel S.] Washington State Univ, Dept Chem, Pullman, WA 99164 USA.
[Snow, Mathew S.; Watrous, Matthew G.; Olson, John E.; Snyder, Darin C.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Snow, MS (reprint author), POB 1625, Idaho Falls, ID 83415 USA.
EM mathew.snow@inl.gov
RI Snyder, Darin/B-6863-2017
OI Snyder, Darin/0000-0001-8104-4248
FU U.S. Department of Homeland Security [2012-DN-130-NF0001-02]; Department
of Energy Office of Science, Office of Basic Energy Sciences
[DE-SC-000410]
FX This material is based upon work supported by the U.S. Department of
Homeland Security under Grant Award Number, 2012-DN-130-NF0001-02, and
by the Department of Energy Office of Science, Office of Basic Energy
Sciences, Heavy Elements Program under Award Number DE-SC-000410. The
views and conclusions contained in this document are those of the
authors and should not be interpreted as necessarily representing the
official policies, either expressed or implied, of the U.S. Department
of Homeland Security or U.S. Department of Energy.
NR 25
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U1 0
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PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0265-931X
EI 1879-1700
J9 J ENVIRON RADIOACTIV
JI J. Environ. Radioact.
PD OCT
PY 2015
VL 148
BP 42
EP 49
DI 10.1016/j.jenvrad.2015.06.009
PG 8
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA CR2LT
UT WOS:000361162100006
PM 26107287
ER
PT J
AU Eslinger, PW
Bowyer, TW
Cameron, IM
Hayes, JC
Miley, HS
AF Eslinger, Paul W.
Bowyer, Ted W.
Cameron, Ian M.
Hayes, James C.
Miley, Harry S.
TI Atmospheric plume progression as a function of time and distance from
the release point for radioactive isotopes
SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY
LA English
DT Article
DE Atmospheric modeling; CTBTO; Atmospheric dilution; Radioisotope
detection
ID MEASURED AIR CONCENTRATIONS; PRODUCTION FACILITIES; NUCLEAR-EXPLOSIONS;
DISPERSION; SYSTEM; XENON
AB The radionuclide network of the International Monitoring System comprises up to 80 stations around the world that have aerosol and xenon monitoring systems designed to detect releases of radioactive materials to the atmosphere from nuclear explosions. A rule of thumb description of plume concentration and duration versus time and distance from the release point is useful when designing and deploying new sample collection systems. This paper uses plume development from atmospheric transport modeling to provide a power-law rule describing atmospheric dilution factors as a function of distance from the release point. Consider the plume center-line concentration seen by a ground-level sampler as a function of time based on a short-duration ground-level release of a nondepositing radioactive tracer. The concentration C (Bq m(-3)) near the ground varies with distance from the source with the relationship C = R x A(D,C) x e(-lambda(-1.552+0.0405)) x 5.37 x 10(-8) x D-2.35 where R is the release magnitude (Bq), D is the separation distance (km) from the ground level release to the measurement location, lambda is the decay constant (h(-1)) for the radionuclide of interest and A(D,C) is an attenuation factor that depends on the length of the sample collection period. This relationship is based on the median concentration for 10 release locations with different geographic characteristics and 365 days of releases at each location, and it has an R-2 of 0.99 for 32 distances from 100 to 3000 km. In addition, 90 percent of the modeled plumes fall within approximately one order of magnitude of this curve for all distances. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Eslinger, Paul W.; Bowyer, Ted W.; Cameron, Ian M.; Hayes, James C.; Miley, Harry S.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Eslinger, PW (reprint author), Pacific NW Natl Lab, MSIN K7-76,902 Battelle Blvd,POB 999, Richland, WA 99352 USA.
EM paul.w.eslinger@pnnl.gov; ted.bowyer@pnnl.gov; ian.cameron@pnnl.gov;
jc.hayes@pnnl.gov; harry.miley@pnnl.gov
FU U.S. Defense Threat Reduction Agency [DE-AC05-76RL01830]
FX The authors would like to acknowledge the U.S. Defense Threat Reduction
Agency for their funding of this research under Contract
DE-AC05-76RL01830.
NR 17
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PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0265-931X
EI 1879-1700
J9 J ENVIRON RADIOACTIV
JI J. Environ. Radioact.
PD OCT
PY 2015
VL 148
BP 123
EP 129
DI 10.1016/j.jenvrad.2015.06.022
PG 7
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA CR2LT
UT WOS:000361162100014
PM 26151301
ER
PT J
AU Dittrich, TM
Boukhalfa, H
Ware, SD
Reimus, PW
AF Dittrich, Timothy Mark
Boukhalfa, Hakim
Ware, Stuart Douglas
Reimus, Paul William
TI Laboratory investigation of the role of desorption kinetics on americium
transport associated with bentonite colloids
SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY
LA English
DT Article
DE Americium; Granite/granodiorite; Reactive transport; Desorption
kinetics; Column experiments; Bentonite colloids
ID GRIMSEL TEST-SITE; RADIONUCLIDE RETARDATION EXPERIMENT; GRANITE
FRACTURE; SORPTION REVERSIBILITY; POROUS-MEDIA; MONTMORILLONITE;
MIGRATION; PLUTONIUM; AM(III); SYSTEM
AB Understanding the parameters that control colloid-mediated transport of radionuclides is important for the safe disposal of used nuclear fuel. We report an experimental and reactive transport modeling examination of americium transport in a groundwater-bentonite-fracture fill material system. A series of batch sorption and column transport experiments were conducted to determine the role of desorption kinetics from bentonite colloids in the transport of americium through fracture materials. We used fracture fill material from a shear zone in altered granodiorite collected from the Grimsel Test Site (GTS) in Switzerland and colloidal suspensions generated from FEBEX bentonite, a potential repository backfill material. The colloidal suspension (100 mg L-1) was prepared in synthetic groundwater that matched the natural water chemistry at GTS and was spiked with 5.5 x 10(-10) M Am-241. Batch characterizations indicated that 97% of the americium in the stock suspension was adsorbed to the colloids. Breakthrough experiments conducted by injecting the americium colloidal suspension through three identical columns in series, each with mean residence times of 6 h, show that more than 95% of the bentonite colloids were transported through each of the columns, with modeled colloid filtration rates (k(f)) of 0.01-0.02 h(-1). Am recoveries in each column were 55-60%, and Am desorption rate constants from the colloids, determined from 1-D transport modeling, were 0.96, 0.98, and 0.91 h(-1) in the three columns, respectively. The consistency in Am recoveries and desorption rate constants in each column indicates that the Am was not associated with binding sites of widely-varying strengths on the colloids, as one binding site with fast kinetics represented the system accurately for all three sequential columns. Our data suggest that colloid-mediated transport of Am in a bentonite-fracture fill material system is unlikely to result in transport over long distance scales because of the ability of the fracture materials to rapidly strip Am from the bentonite colloids and the apparent lack of a strong binding site that would keep a fraction of the Am strongly-associated with the colloids. Published by Elsevier Ltd.
C1 [Dittrich, Timothy Mark; Boukhalfa, Hakim; Ware, Stuart Douglas; Reimus, Paul William] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA.
RP Dittrich, TM (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, POB 1663,Mail Stop J966, Los Alamos, NM 87545 USA.
EM timdittrich@lanl.gov; hakim@lanl.gov; dware@lanl.gov; preimus@lanl.gov
FU U.S. DOE Nuclear Energy Office, Fuel Cycle R&D Program, Used Fuel
Disposition Campaign
FX The authors would like to thank Artaches Migdissov for HCh geochemical
speciation modeling and Michael Cheshire and Hongwu Xu for conducting
the quantitative X-ray diffraction analyses of the Grimsel materials. We
also thank Ingo Blechschmidt of the Swiss Nuclear Waste Cooperative,
NAGRA, for providing the granodiorite and FFM materials. This work was
supported by the U.S. DOE Nuclear Energy Office, Fuel Cycle R&D Program,
Used Fuel Disposition Campaign, which is administered by Sandia National
Laboratories. The authors greatly appreciate the valuable comments
provided by the editor and two anonymous reviewers.
NR 43
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PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0265-931X
EI 1879-1700
J9 J ENVIRON RADIOACTIV
JI J. Environ. Radioact.
PD OCT
PY 2015
VL 148
BP 170
EP 182
DI 10.1016/j.jenvrad.2015.07.001
PG 13
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA CR2LT
UT WOS:000361162100020
PM 26184579
ER
PT J
AU Lewis, LA
Knight, KB
Matzel, JE
Prussin, SG
Zimmer, MM
Kinman, WS
Ryerson, FJ
Hutcheon, ID
AF Lewis, L. A.
Knight, K. B.
Matzel, J. E.
Prussin, S. G.
Zimmer, M. M.
Kinman, W. S.
Ryerson, F. J.
Hutcheon, I. D.
TI Spatially-resolved analyses of aerodynamic fallout from a uranium-fueled
nuclear test
SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY
LA English
DT Article
DE SIMS; Trinitite; Fallout; Device debris; Nuclear forensics
ID TRINITITE; PARTICLES; DEBRIS
AB Five silicate fallout glass spherules produced in a uranium-fueled, near-surface nuclear test were characterized by secondary ion mass spectrometry, electron probe microanalysis, autoradiography, scanning electron microscopy, and energy-dispersive x-ray spectroscopy. Several samples display compositional heterogeneity suggestive of incomplete mixing between major elements and natural U (U-238/U-235 = 0.00725) and enriched U. Samples exhibit extreme spatial heterogeneity in U isotopic composition with 0.02 < U-235/U-238 < 11.84 among all five spherules and 0.02 < U-235/U-238 < 7.41 within a single spherule. In two spherules, the U-235/U-238 ratio is correlated with changes in major element composition, suggesting the agglomeration of chemically and isotopically distinct molten precursors. Two samples are nearly homogenous with respect to major element and uranium isotopic composition, suggesting extensive mixing possibly due to experiencing higher temperatures or residing longer in the fireball. Linear correlations between U-234/U-238, U-235/U-238, and U-236/U-238 ratios are consistent with a twocomponent mixing model, which is used to illustrate the extent of mixing between natural and enriched U end members. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Lewis, L. A.; Knight, K. B.; Matzel, J. E.; Ryerson, F. J.; Hutcheon, I. D.] Lawrence Livermore Natl Lab, Glenn T Seaborg Inst, Livermore, CA 94550 USA.
[Lewis, L. A.; Prussin, S. G.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA.
[Zimmer, M. M.; Kinman, W. S.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA.
RP Lewis, LA (reprint author), Lawrence Livermore Natl Lab, Glenn T Seaborg Inst, 7000 East Ave, Livermore, CA 94550 USA.
EM lewis105@llnl.gov
FU National Nuclear Security Administration's Next Generation Safeguards
Initiative; Laboratory Directed Research and Development Program at LLNL
[10-SI-016, 13-ERD-062]; U.S. Department of Energy's National Nuclear
Security Administration, Office of Defense Nuclear Nonproliferation
Research and Development; U.S. Department of Energy, Lawrence Livermore
National Laboratory [DE-AC52-07NA27344]
FX We thank Christina Ramon for help with sample preparation; Ross
Williams, Kerri Schorzman, and Darren Tollstrup for MC-ICP-MS
measurements of the standard glasses; Gary Eppich, Ben Jacobsen, and
Naomi Marks for helpful discussions; and Gary Stone and Anna Lindquist
for assistance with autoradiography. This research was performed under
appointment to the Nuclear Nonproliferation International Safeguards
Graduate Fellowship Program sponsored by the National Nuclear Security
Administration's Next Generation Safeguards Initiative. This work was
supported by the Laboratory Directed Research and Development Program
(projects 10-SI-016 and 13-ERD-062) at LLNL, and we also thank the U.S.
Department of Energy's National Nuclear Security Administration, Office
of Defense Nuclear Nonproliferation Research and Development, for
financial support. 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 29
TC 3
Z9 3
U1 8
U2 27
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0265-931X
EI 1879-1700
J9 J ENVIRON RADIOACTIV
JI J. Environ. Radioact.
PD OCT
PY 2015
VL 148
BP 183
EP 195
DI 10.1016/j.jenvrad.2015.04.006
PG 13
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA CR2LT
UT WOS:000361162100021
PM 26225462
ER
PT J
AU Bragg, AD
Ireland, PJ
Collins, LR
AF Bragg, Andrew D.
Ireland, Peter J.
Collins, Lance R.
TI On the relationship between the non-local clustering mechanism and
preferential concentration
SO JOURNAL OF FLUID MECHANICS
LA English
DT Article
DE isotropic turbulence; multiphase and particle-laden flows; turbulent
flows
ID HOMOGENEOUS ISOTROPIC TURBULENCE; INERTIAL PARTICLES; AEROSOL-PARTICLES;
FLOW-FIELDS; HEAVY-PARTICLES; VELOCITY; SIMULATIONS; STATISTICS;
COLLISION
AB 'Preferential concentration' (Squires & Eaton, Phys. Fluids, vol. A3, 1991, pp. 1169-1178) refers to the clustering of inertial particles in the high strain, low-rotation regions of turbulence. The 'centrifuge mechanism' of Maxey (J. Fluid Mech., vol. 174, 1987, pp. 441-465) appears to explain this phenomenon. In a recent paper, Bragg & Collins (New J. Phys., vol. 16, 2014, 055013) showed that the centrifuge mechanism is dominant only in the regime St << 1, where St is the Stokes number based on the Kolmogorov time scale. Outside this regime, the centrifuge mechanism gives way to a non-local, path history symmetry breaking mechanism. However, despite the change in the clustering mechanism, the instantaneous particle positions continue to correlate with high strain, low-rotation regions of the turbulence. In this paper, we analyse the exact equation governing the radial distribution function and show how the non-local clustering mechanism is influenced by, but not dependent upon, the preferential sampling of the fluid velocity gradient tensor along the particle path histories in such a way as to generate a bias for clustering in high strain regions of the turbulence. We also show how the non-local mechanism still generates clustering, but without preferential concentration, in the limit where the time scales of the fluid velocity gradient tensor measured along the inertial particle trajectories approaches zero (such as white noise flows or for particles in turbulence settling under strong gravity). Finally, we use data from a direct numerical simulation of inertial particles suspended in Navier-Stokes turbulence to validate the arguments presented in this study.
C1 [Bragg, Andrew D.; Ireland, Peter J.; Collins, Lance R.] Cornell Univ, Sibley Sch Mech & Aerosp Engn, Ithaca, NY 14853 USA.
RP Bragg, AD (reprint author), Los Alamos Natl Lab, Appl Math & Plasma Phys Grp, POB 1663, Los Alamos, NM 87545 USA.
EM adbragg265@gmail.com
RI Bragg, Andrew/K-6099-2015
OI Bragg, Andrew/0000-0001-7068-8048
FU National Science Foundation [CBET-0967349]; National Science Foundation
FX The authors acknowledge financial support from the National Science
Foundation through grant CBET-0967349 and through the Graduate Research
Fellowship awarded to P.J.I. Computational simulations were performed on
Yellowstone Computational and Information Systems Laboratory (2012)
(ark:/85065/d7wd3xhc) at the US National Center for Atmospheric Research
through its Computational and Information Systems Laboratory (sponsored
by the National Science Foundation).
NR 40
TC 6
Z9 6
U1 6
U2 15
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0022-1120
EI 1469-7645
J9 J FLUID MECH
JI J. Fluid Mech.
PD OCT
PY 2015
VL 780
BP 327
EP 343
DI 10.1017/jfm.2015.474
PG 17
WC Mechanics; Physics, Fluids & Plasmas
SC Mechanics; Physics
GA CR6SV
UT WOS:000361478600016
ER
PT J
AU Achyuthan, KE
Wheeler, DR
AF Achyuthan, Komandoor E.
Wheeler, David R.
TI Easy parallel screening of reagent stability, quality control, and
metrology in solid phase peptide synthesis (SPPS) and peptide couplings
for microarrays
SO JOURNAL OF PEPTIDE SCIENCE
LA English
DT Article
DE COMU; solid phase peptide synthesis; SPPS; metrology; fluorescence;
absorption; immunochemistry; YGGFL; (3-aminopropyl)triethoxysilane;
APTES
AB Evaluating the stability of coupling reagents, quality control (QC), and surface functionalization metrology are all critical to the production of high quality peptide microarrays. We describe a broadly applicable screening technique for evaluating the fidelity of solid phase peptide synthesis (SPPS), the stability of activation/coupling reagents, and a microarray surface metrology tool. This technique was used to assess the stability of the activation reagent 1-{[1-(Cyano-2-ethoxy-2-oxo-ethylidenaminooxy)dimethylamino-morpholinomethylene]} methaneaminiumHexafluorophosphate (COMU) (Sigma-Aldrich, St. Louis, MO, USA) by SPPS of Leu-Enkephalin (YGGFL) or the coupling of commercially synthesized YGGFL peptides to (3-aminopropyl) triethyoxysilane-modified glass surfaces. Coupling efficiency was quantitated by fluorescence signaling based on immunoreactivity of the YGGFL motif. It was concluded that COMU solutions should be prepared fresh and used within 5 h when stored at similar to 23 degrees C and not beyond 24 h if stored refrigerated, both in closed containers. Caveats to gauging COMU stability by absorption spectroscopy are discussed. Commercial YGGFL peptides needed independent QC, due to immunoreactivity variations for the same sequence synthesized by different vendors. This technique is useful in evaluating the stability of other activation/coupling reagents besides COMU and as a metrology tool for SPPS and peptide microarrays. Copyright (C) 2015 European Peptide Society and John Wiley & Sons, Ltd.
C1 [Achyuthan, Komandoor E.] Sandia Natl Labs, Biol Chem Phys Microsensors Dept, Albuquerque, NM 87185 USA.
[Wheeler, David R.] Sandia Natl Labs, Special Technol Dept, Albuquerque, NM 87185 USA.
RP Achyuthan, KE (reprint author), Sandia Natl Labs, Biol Chem Phys Microsensors Dept, 1515 Eubank Blvd, Albuquerque, NM 87185 USA.
EM kachyut@sandia.gov
FU Lockheed Martin Corporation, for United States Department of Energy's
(DOE) National Nuclear Security Administration (NNSA)
[DE-AC04-94AL85000]; Department of Homeland Security (DHS), USA [159549]
FX Sandia National Laboratories is a multi-program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the United States Department of Energy's (DOE)
National Nuclear Security Administration (NNSA) under contract
DE-AC04-94AL85000. This work was supported by project number 159549
titled `Next Generation Diagnostic Approaches to Determine Human
Exposure to Dangerous Pathogens,' funded by the Department of Homeland
Security (DHS), USA.
NR 25
TC 0
Z9 0
U1 2
U2 12
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1075-2617
EI 1099-1387
J9 J PEPT SCI
JI J. Pept. Sci.
PD OCT
PY 2015
VL 21
IS 10
BP 751
EP 757
DI 10.1002/psc.2806
PG 7
WC Biochemistry & Molecular Biology; Chemistry, Analytical
SC Biochemistry & Molecular Biology; Chemistry
GA CR6SM
UT WOS:000361477700001
PM 26310933
ER
PT J
AU Hao, H
Wang, M
Zhou, Y
Wang, HW
Ouyang, MG
AF Hao, Han
Wang, Michael
Zhou, Yan
Wang, Hewu
Ouyang, Minggao
TI Levelized costs of conventional and battery electric vehicles in china:
Beijing experiences
SO MITIGATION AND ADAPTATION STRATEGIES FOR GLOBAL CHANGE
LA English
DT Article
DE Levelized cost; Electric vehicle; China; EV Beijing program
ID GREENHOUSE-GAS EMISSIONS; ENERGY-CONSUMPTION; TRANSPORT; IMPACT; FLEET;
STRATEGIES; OWNERSHIP; SHANGHAI; BENEFITS; POLICIES
AB Electric vehicles offer the potential to reduce oil consumption, air pollutants, and greenhouse gas (GHG) emissions. To take advantage of electric vehicles and improve its urban environment, Beijing, as one of China's most polluted cities, launched an electric vehicle promotion program that provided a generous subsidy for consumers who purchased battery electric vehicles (BEVs). In this study, we compare the levelized costs of a conventional vehicle (CV) versus a BEV using real data from the Beijing BEV subsidy program. Levelized cost for this study considers consumer driving patterns and vehicle age. For consumers with average driving profiles-i.e., an average driving distance of around 20 km per trip-the levelized cost of CVs decreases from 1.40 yuan/km for an 8-year vehicle lifetime to 1.04 yuan/km for a 15-year lifetime, while the levelized cost for BEVs decreases from 1.44 yuan/km for an 8-year vehicle lifetime to 1.01 yuan/km for a 15-year lifetime. BEVs are more cost competitive than CVs for consumers with medium and high driving profiles and a 12-year and 15-year lifetime. Under current conditions, the subsidy and tax incentives are necessary to make BEVs cost competitive. However, we project that, even if the subsidy is phased out in 2020, BEVs may become cost competitive with CVs because of the decrease in battery cost. Our study results suggest that the BEV subsidy should reflect changes in battery cost and gasoline prices to help continuing deployment of BEVs.
C1 [Hao, Han; Wang, Hewu; Ouyang, Minggao] Tsinghua Univ, State Key Lab Automot Safety & Energy, Beijing 100084, Peoples R China.
[Wang, Michael; Zhou, Yan] Argonne Natl Lab, Div Energy Syst, Syst Assessment Grp, Argonne, IL 60439 USA.
[Hao, Han; Wang, Hewu; Ouyang, Minggao] Tsinghua Univ, China Automot Energy Res Ctr, Beijing 100084, Peoples R China.
[Hao, Han] Univ Chicago, Energy Policy Inst Chicago, Chicago, IL 60616 USA.
RP Ouyang, MG (reprint author), Tsinghua Univ, State Key Lab Automot Safety & Energy, Beijing 100084, Peoples R China.
EM ouymg@tsinghua.edu.cn
FU Ministry of Science and Technology [2010DFA72760, 2011DFA60650,
2011AA11A288]; China Automotive Energy Research Center (CAERC) program;
Vehicle Technology Office, Energy Efficiency and Renewable Energy
Office, U.S. Department of Energy [DE-AC02-06CH11357]
FX The project is supported by the Ministry of Science and Technology
(2010DFA72760, 2011DFA60650, 2011AA11A288) and the China Automotive
Energy Research Center (CAERC) program. The efforts of Michael Wang and
Yan Zhou of Argonne National Laboratory are supported by the Vehicle
Technology Office, Energy Efficiency and Renewable Energy Office, U.S.
Department of Energy under Contract DE-AC02-06CH11357. The authors would
like to thank Dr. Thomas Stephens of Argonne National Laboratory for his
helpful comments and the anonymous reviewers for their review and
comments.
NR 54
TC 5
Z9 5
U1 8
U2 19
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 1381-2386
EI 1573-1596
J9 MITIG ADAPT STRAT GL
JI Mitig. Adapt. Strateg. Glob. Chang.
PD OCT
PY 2015
VL 20
IS 7
BP 1229
EP 1246
DI 10.1007/s11027-013-9536-1
PG 18
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA CR6DA
UT WOS:000361432300013
ER
PT J
AU Lehmann, M
Madison, C
Ghosh, PM
Miller, ZA
Greicius, MD
Kramer, JH
Coppola, G
Miller, BL
Jagust, WJ
Gorno-Tempini, ML
Seeley, WW
Rabinovici, GD
AF Lehmann, Manja
Madison, Cindee
Ghosh, Pia M.
Miller, Zachary A.
Greicius, Michael D.
Kramer, Joel H.
Coppola, Giovanni
Miller, Bruce L.
Jagust, William J.
Gorno-Tempini, Maria L.
Seeley, William W.
Rabinovici, Gil D.
TI Loss of functional connectivity is greater outside the default mode
network in nonfamilial early-onset Alzheimer's disease variants
SO NEUROBIOLOGY OF AGING
LA English
DT Article
DE Networks; Intrinsic connectivity; Functional magnetic resonance imaging;
Alzheimer's disease; Posterior cortical atrophy; Logopenic-variant
primary progressive aphasia
ID POSTERIOR CORTICAL ATROPHY; PRIMARY PROGRESSIVE APHASIA; AMYLOID-BETA;
BRAIN; PATTERNS; PATHOLOGY; DEMENTIA; BURDEN; TAU; AGE
AB The common and specific involvement of brain networks in clinical variants of Alzheimer's disease (AD) is not well understood. We performed task-free ("resting-state") functional imaging in 60 nonfamilial AD patients, including 20 early-onset AD (age at onset <65 years, amnestic/dysexecutive deficits), 24 logopenic aphasia (language deficits), and 16 posterior cortical atrophy patients (visual deficits), as well as 60 healthy controls. Seed-based connectivity analyses were conducted to assess differences between groups in 3 default mode network (DMN) components (anterior, posterior, and ventral) and 4 additional non-DMN networks: left and right executive-control, language, and higher visual networks. Significant decreases in connectivity were found across AD variants compared with controls in the non-DMN networks. Within the DMN components, patients showed higher connectivity in the anterior DMN, in particular in logopenic aphasia. No significant differences were found for the posterior and ventral DMN. Our findings suggest that loss of functional connectivity is greatest in networks outside the DMN in early-onset and nonamnestic AD variants and may thus be a better biomarker in these patients. (C) 2015 Elsevier Inc. All rights reserved.
C1 [Lehmann, Manja; Ghosh, Pia M.; Miller, Zachary A.; Kramer, Joel H.; Miller, Bruce L.; Jagust, William J.; Gorno-Tempini, Maria L.; Seeley, William W.; Rabinovici, Gil D.] Univ Calif San Francisco, Dept Neurol, Memory & Aging Ctr, San Francisco, CA USA.
[Lehmann, Manja; Madison, Cindee; Ghosh, Pia M.; Jagust, William J.; Rabinovici, Gil D.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA.
[Lehmann, Manja] UCL, Inst Neurol, Dementia Res Ctr, Dept Neurodegenerat Dis, London WC1N 3BG, England.
[Greicius, Michael D.] Stanford Univ, Sch Med, Dept Neurol & Neurol Sci, FIND Lab, Stanford, CA 94305 USA.
[Coppola, Giovanni] Univ Calif Los Angeles, David Geffen Sch Med, Semel Inst Neurosci & Human Behav, Dept Psychiat, Los Angeles, CA 90095 USA.
[Jagust, William J.; Rabinovici, Gil D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
RP Lehmann, M (reprint author), UCL, Inst Neurol, Dementia Res Ctr, Queen Sq, London WC1N 3BG, England.
EM m.lehmann@ucl.ac.uk
FU Alzheimer's Research UK [ART-TRFUS2011]; National Institute on Aging
[R01-AG045611, R01AG034570, P01-AG1972403, P50-AG023501]; Douglas French
Alzheimer's Foundation; State of California Department of Health
Services Alzheimer's Disease Research Center of California grant
[04-33516]; Hellman Family Foundation; Hilblom grant; National Institute
on Aging (NIA) [U24 AG21886]
FX This work was supported by an Alzheimer's Research UK grant to Manja
Lehmann (ART-TRFUS2011); National Institute on Aging grants R01-AG045611
to Gil D. Rabinovici, R01AG034570 to William J. Jagust, P01-AG1972403 to
William W. Seeley and Bruce L. Miller and P50-AG023501 to William W.
Seeley, Gil D. Rabinovici, and Bruce L. Miller; John Douglas French
Alzheimer's Foundation to Gil D. Rabinovici; State of California
Department of Health Services Alzheimer's Disease Research Center of
California grant 04-33516 to Bruce L. Miller; Hellman Family Foundation
to Gil D. Rabinovici, and a Hilblom grant to Bruce L. Miller which
supports normal aging research at the Memory and Aging Center. Samples
from the National Cell Repository for Alzheimer's Disease (NCRAD), which
receives government support under a cooperative agreement grant (U24
AG21886) awarded by the National Institute on Aging (NIA), were used in
this study. The authors thank contributors who collected samples used in
this study, as well as patients and their families, whose help and
participation made this work possible.
NR 57
TC 4
Z9 4
U1 2
U2 11
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 0197-4580
EI 1558-1497
J9 NEUROBIOL AGING
JI Neurobiol. Aging
PD OCT
PY 2015
VL 36
IS 10
BP 2678
EP 2686
DI 10.1016/j.neurobiolaging.2015.06.029
PG 9
WC Geriatrics & Gerontology; Neurosciences
SC Geriatrics & Gerontology; Neurosciences & Neurology
GA CQ9JA
UT WOS:000360929100004
PM 26242705
ER
PT J
AU Crowell, SR
Smith, JN
Creim, JA
Faber, W
Teeguarden, JG
AF Crowell, S. R.
Smith, J. N.
Creim, J. A.
Faber, W.
Teeguarden, J. G.
TI Physiologically based pharmacokinetic modeling of ethyl acetate and
ethanol in rodents and humans
SO REGULATORY TOXICOLOGY AND PHARMACOLOGY
LA English
DT Article
DE Ethyl acetate; Ethanol; Physiologically based pharmacokinetic modeling;
Metabolic series approach; Extrapolation; Pharmacokinetics
ID METABOLISM; RATS; ACETALDEHYDE
AB A physiologically based pharmacokinetic (PBPK) model was developed and applied to a metabolic series approach for the ethyl series (i.e., ethyl acetate, ethanol, acetaldehyde, and acetate). This approach bases toxicity information on dosimetry analyses for metabolically linked compounds using pharmacokinetic data for each compound and toxicity data for parent or individual compounds. In vivo pharmacokinetic studies of ethyl acetate and ethanol were conducted in rats following IV and inhalation exposure. Regardless of route, ethyl acetate was rapidly converted to ethanol. Blood concentrations of ethyl acetate and ethanol following both IV bolus and infusion suggested linear kinetics across blood concentrations from 0.1 to 10 mM ethyl acetate and 0.01-0.8 mM ethanol. Metabolic parameters were optimized and evaluated based on available pharmacokinetic data. The respiratory bioavailability of ethyl acetate and ethanol were estimated from closed chamber inhalation studies and measured ventilation rates. The resulting ethyl series model successfully reproduces blood ethyl acetate and ethanol kinetics following IV administration and inhalation exposure in rats, and blood ethanol kinetics following inhalation exposure to ethanol in humans. The extrapolated human model was used to derive human equivalent concentrations for the occupational setting of 257-2120 ppm ethyl acetate and 72-517 ppm ethyl acetate for continuous exposure, corresponding to rat LOAELs of 350 and 1500 ppm. (C) 2015 Elsevier Inc. All rights reserved.
C1 [Crowell, S. R.; Smith, J. N.; Creim, J. A.; Teeguarden, J. G.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Faber, W.] Willem Faber Toxicol Consulting LLC, Victor, NY USA.
RP Crowell, SR (reprint author), 902 Battelle Blvd, Richland, WA 99352 USA.
EM crowell.susan@gene.com
FU Oxo-Process Panel of the American Chemistry Council
FX The authors would like to acknowledge the Oxo-Process Panel of the
American Chemistry Council for providing funding that supported this
research.
NR 28
TC 1
Z9 1
U1 1
U2 4
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 OCT
PY 2015
VL 73
IS 1
BP 452
EP 462
DI 10.1016/j.yrtph.2015.07.021
PG 11
WC Medicine, Legal; Pharmacology & Pharmacy; Toxicology
SC Legal Medicine; Pharmacology & Pharmacy; Toxicology
GA CR5UU
UT WOS:000361410700048
PM 26297692
ER
PT J
AU Liang, LJ
Qi, MQ
Yang, J
Shen, XP
Zhai, JQ
Xu, WZ
Jin, BB
Liu, WW
Feng, YJ
Zhang, CH
Lu, H
Chen, HT
Kang, L
Xu, WW
Chen, J
Cui, TJ
Wu, PH
Liu, SG
AF Liang, Lanju
Qi, Meiqing
Yang, Jing
Shen, Xiaopeng
Zhai, Jiquan
Xu, Weizong
Jin, Biaobing
Liu, Weiwei
Feng, Yijun
Zhang, Caihong
Lu, Hai
Chen, Hou-Tong
Kang, Lin
Xu, Weiwei
Chen, Jian
Cui, Tie Jun
Wu, Peiheng
Liu, Shenggang
TI Anomalous Terahertz Reflection and Scattering by Flexible and Conformal
Coding Metamaterials
SO ADVANCED OPTICAL MATERIALS
LA English
DT Article
ID QUARTER-WAVE PLATE; BROAD-BAND; DIGITAL METAMATERIALS; SPECTROSCOPY;
METASURFACES; TECHNOLOGY; ABSORBERS; DEVICES; PHASE; LIGHT
AB Arbitrary control of terahertz (THz) waves remains a significant challenge although it promises many important applications. Here, a method to tailor the reflection and scattering of THz waves in an anomalous manner by using 1-bit coding metamaterials is presented. Specific coding sequences result in various THz far-field reflection and scattering patterns, ranging from a single beam to two, three, and numerous beams, which depart obviously from the ordinary Snell's law of reflection. By optimizing the coding sequences, a wideband THz thin film metamaterial with extremely low specular reflection, due to the scattering of the incident wave into various directions, is demonstrated. As a result, the reflection from a flat and flexible metamaterial can be nearly uniformly distributed in the half space with small intensity at each specific direction, manifesting a diffuse reflection from a rough surface. Both simulation and experimental results show that a reflectivity less than -10 dB is achieved over a wide frequency range from 0.8 to 1.4 THz, and it is insensitive to the polarization of the incident wave. This work reveals new opportunities arising from coding metamaterials in effective manipulation of THz wave propagation and may offer widespread applications.
C1 [Liang, Lanju; Zhai, Jiquan; Jin, Biaobing; Zhang, Caihong; Kang, Lin; Xu, Weiwei; Chen, Jian; Wu, Peiheng] Nanjing Univ, Sch Elect Sci & Engn, RISE, Nanjing 210093, Jiangsu, Peoples R China.
[Qi, Meiqing; Shen, Xiaopeng; Cui, Tie Jun] Southeast Univ, State Key Lab Millimeter Waves, Nanjing 210096, Jiangsu, Peoples R China.
[Yang, Jing; Liu, Weiwei] Nankai Univ, Inst Modern Opt, Tianjin 300071, Peoples R China.
[Xu, Weizong; Feng, Yijun; Lu, Hai] Nanjing Univ, Sch Elect Sci & Engn, Nanjing 210093, Jiangsu, Peoples R China.
[Jin, Biaobing; Liu, Weiwei; Chen, Jian; Cui, Tie Jun; Liu, Shenggang] Univ Elect Sci & Technol China, Cooperat Innovat Ctr Terahertz Sci, Chengdu 611731, Peoples R China.
[Chen, Hou-Tong] Los Alamos Natl Lab, Mat Phys & Applicat Div, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
Univ Elect Sci & Technol China, Sch Phys Elect, Terahertz Res Ctr, Chengdu 610054, Sichuan, Peoples R China.
RP Jin, BB (reprint author), Nanjing Univ, Sch Elect Sci & Engn, RISE, Nanjing 210093, Jiangsu, Peoples R China.
EM bbjin@nju.edu.cn; liuweiwei@nankai.edu.cn; tjcui@seu.edu.cn
RI Chen, Hou-Tong/C-6860-2009; Liu, Weiwei/G-7660-2011
OI Chen, Hou-Tong/0000-0003-2014-7571; Liu, Weiwei/0000-0001-6036-9641
FU National Basic Research Program of China [2014CB339800, 2011CBA00107];
National High-Tech R&D Program of China [2011AA010204, 2012AA030402];
National Natural Science Foundation [61071009, 61138001, 61371035,
11234006]; National Instrumentation Program [2012YQ14005]; Priority
Academic Program Development of Jiangsu Higher Education Institutions
(PAPD); Jiangsu Provincial Key Laboratory of Advanced Manipulating
Technique of Electromagnetic Wave; Technological Development project of
Shandong Province [2013GGA04021]
FX L.L., M.Q., and J.Y. contributed equally to this work. This work is
supported by the National Basic Research Program of China (Grant Nos.
2014CB339800 and 2011CBA00107), the National High-Tech R&D Program of
China (Grant Nos. 2011AA010204 and 2012AA030402), the National Natural
Science Foundation (Grant Nos. 61071009, 61138001, 61371035, and
11234006), the National Instrumentation Program under Grant No.
2012YQ14005, the Priority Academic Program Development of Jiangsu Higher
Education Institutions (PAPD), and Jiangsu Provincial Key Laboratory of
Advanced Manipulating Technique of Electromagnetic Wave. Dr. Liang with
Zaozhuang University is also supported by Technological Development
project of Shandong Province (Grant No. 2013GGA04021). The authors thank
Hao Qian for his enthusiasm and drawing of the illustrations. The
authors declare that they have no competing interests. These
acknowledgements were updated on October 20, 2015.
NR 40
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Z9 29
U1 23
U2 23
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 2195-1071
J9 ADV OPT MATER
JI Adv. Opt. Mater.
PD OCT
PY 2015
VL 3
IS 10
BP 1374
EP 1380
PG 7
WC Materials Science, Multidisciplinary; Optics
SC Materials Science; Optics
GA CU1IG
UT WOS:000363273600010
ER
PT J
AU Gutierrez, G
AF Gutierrez, G.
TI Dark Energy, a Summary
SO NUCLEAR AND PARTICLE PHYSICS PROCEEDINGS
LA English
DT Proceedings Paper
CT 10th Latin American Symposium of High Energy Physics (SILAFAE)
CY NOV 24, 2014
CL Medellin, COLOMBIA
SP Univ Andes, Inst Tecnologico Metropolitano, Univ Nacl Colombia, Univ Antonio Narino, Univ Antioquia, Univ Ind Santander, Univ Valle, Univ Tolima
DE Dark Energy; Accelerated Expansion; Cosmological Constant
ID BARYON ACOUSTIC-OSCILLATIONS; SUPERNOVAE; GALAXIES; SAMPLES; SPACE
AB The accelerated expansion of the Universe, described by the term Dark Energy, is one of the most important open questions in Cosmology today. This mysterious Dark Energy comprises about 70 % of the Universe and all the available data to date favors the notion that it is a Cosmological Constant. We will review the current status of the experimental data on Dark Energy and provide a short description of the upcoming experiments poised to shed light on this problem.
C1 [Gutierrez, G.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
RP Gutierrez, G (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
NR 12
TC 0
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U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 2405-6014
EI 1873-3832
J9 NUCL PART PHYS P
JI Nucl. Part. Phys. Proc.
PD OCT-DEC
PY 2015
VL 267
BP 332
EP 341
DI 10.1016/j.nuclphysbps.2015.10.127
PG 10
GA EF4KS
UT WOS:000390294800053
ER
PT J
AU Shamma, M
Caspi, EN
Anasori, B
Clausen, B
Brown, DW
Vogel, SC
Presser, V
Amini, S
Yeheskel, O
Barsoum, MW
AF Shamma, Mohamed
Caspi, El'ad N.
Anasori, Babak
Clausen, Bjorn
Brown, Donald W.
Vogel, Sven C.
Presser, Volker
Amini, Shahram
Yeheskel, Ori
Barsoum, Michel W.
TI In situ neutron diffraction evidence for fully reversible dislocation
motion in highly textured polycrystalline Ti2AlC samples
SO ACTA MATERIALIA
LA English
DT Article
DE MAX phases; Neutron scattering; Mechanical properties; Elasto-Plastic
Self-Consistent model
ID KINKING NONLINEAR ELASTICITY; SINGLE-CRYSTALS; STAINLESS-STEEL;
DEFORMATION; TEMPERATURE; MAGNESIUM; NANOINDENTATIONS; PRESSURE;
STRESSES; BEHAVIOR
AB Herein careful analysis of in situ neutron diffraction patterns obtained, while cyclically loading highly textured polycrystalline Ti2AlC, a MAX phase, samples, provides compelling experimental evidence in the form of fully reversible peak lattice elastic strain loops and peak widening and narrowing upon load cycling for the existence of fully reversible dislocation motion. A comparison of the measured and calculated dislocation densities clearly shows that dislocation pileups alone cannot account for the experimental observations. Another micromechanism needs to be invoked. Based on the propensity of the MAX phases to deform by kinking, the micromechanism proposed is either the nucleation and annihilation of incipient kink bands, IKB, and/or the bowing of dislocations in preexisting low angle kink boundaries, LAKB. This micromechanism plays a vital role during the initial deformation of layered and other plastically anisotropic solids such as hexagonal close-packed metals. Consequently, the ramifications of this work on geology, metallurgy and other fields will prove quite important. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
C1 [Shamma, Mohamed; Caspi, El'ad N.; Anasori, Babak; Presser, Volker; Amini, Shahram; Yeheskel, Ori; Barsoum, Michel W.] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA.
[Presser, Volker] Drexel Univ, AJ Drexel Nanotechnol Inst, Philadelphia, PA 19104 USA.
[Clausen, Bjorn; Vogel, Sven C.] Los Alamos Natl Lab, Lujan Ctr, Los Alamos, NM 87545 USA.
[Brown, Donald W.] Los Alamos Natl Lab, MST 8, Los Alamos, NM 87545 USA.
[Yeheskel, Ori] Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel.
RP Barsoum, MW (reprint author), Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA.
EM barsoumw@drexel.edu
RI Presser, Volker/F-1975-2010; Anasori, Babak/O-4828-2015; Clausen,
Bjorn/B-3618-2015
OI Presser, Volker/0000-0003-2181-0590; Anasori, Babak/0000-0002-1955-253X;
Clausen, Bjorn/0000-0003-3906-846X
FU Army Research Office - United States [W911NF-07-1-0628]; Department of
Energy's Office of Basic Energy Sciences; DOE [DE-AC52-06NA25396];
Alexander von Humboldt Foundation - Germany
FX This work was supported by the Army Research Office - United States (No.
W911NF-07-1-0628). This work has benefited from the use of the Lujan
Neutron Scattering Center at LANSCE, funded by the Department of
Energy's Office of Basic Energy Sciences. Los Alamos National Laboratory
is operated by Los Alamos National Security LLC under DOE Contract
DE-AC52-06NA25396. Use of the equipment of the Centralized Research
Facility (Drexel University) is acknowledged. V.P. acknowledges
financial support by the Alexander von Humboldt Foundation - Germany.
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1359-6454
EI 1873-2453
J9 ACTA MATER
JI Acta Mater.
PD OCT 1
PY 2015
VL 98
BP 51
EP 63
DI 10.1016/j.actamat.2015.07.023
PG 13
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CR1GX
UT WOS:000361074000005
ER
PT J
AU Cao, GH
Russell, AM
Oertel, CG
Skrotzki, W
AF Cao, G. H.
Russell, A. M.
Oertel, C. -G.
Skrotzki, W.
TI Microstructural evolution of TiAl-based alloys deformed by high-pressure
torsion
SO ACTA MATERIALIA
LA English
DT Article
DE Titanium aluminides; High-pressure torsion; Microstructure;
Dislocations; Transmission electron microscopy (TEM)
ID SEVERE PLASTIC-DEFORMATION; HIGH-STRAIN TORSION; TRANSMISSION
ELECTRON-MICROSCOPY; PHASE-TRANSFORMATION; TITANIUM ALUMINIDES;
NANOCRYSTALLINE STRUCTURE; LAMELLAR STRUCTURE; CREEP-BEHAVIOR; GAMMA;
MECHANISMS
AB A Ti-45AL-4(Cr, Nb, Tao B) alloy was deformed by torsion in a Paterson-type rock deformation machine at 900 and 1000 degrees C under 400 MPa hydrostatic pressure. The development of the microstructure during high-pressure torsion (HPT) was studied by transmission electron microscopy (TEM). TEM investigations indicated that alpha(2)-Ti(3)AL transformed to gamma-TiAl via intermediate Ti2Al or Ti1.4Al phases. The hexagonal Ti2Al coexists with alpha(2)-phase precipitates as platelets and globular morphology at domain boundaries and within the grain interior of the gamma phase preferentially on dislocations. TEM examination revealed that the Burgers vectors of dislocations in torsion-deformed specimens were 1/2<110] and 1/2<112]. The alpha -> gamma transformation induced by torsion is a diffusional process, and the gamma-phase growth occurs by a diffusion-controlled step mechanism. The grain size produced by HPT does not change significantly compared to the initial microstructure, which is at the micrometer-scale. During torsion a steady-state stage was achieved, and the power law stress exponents and activation energies were measured to be 1.77 and 1.42, and 3.45 and 3.37 eV for torsion deformed at 900 and 1000 degrees C, respectively. It is concluded that torsion deformation occurred by superplastic flow through grain-boundary sliding accommodated by dislocation motion. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
C1 [Cao, G. H.] Shanghai Univ, Dept Mat Engn, Sch Mat Sci & Engn, Shanghai 200072, Peoples R China.
[Cao, G. H.] Shanghai Univ, State Key Lab Adv Special Steels, Shanghai 200072, Peoples R China.
[Russell, A. M.] US DOE, Div Mat Sci & Engn, Ames Lab, Ames, IA 50011 USA.
[Russell, A. M.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
[Oertel, C. -G.; Skrotzki, W.] Tech Univ Dresden, Inst Strukturphys, D-01062 Dresden, Germany.
RP Cao, GH (reprint author), Shanghai Univ, Dept Mat Engn, Sch Mat Sci & Engn, 149 Yanchang Rd, Shanghai 200072, Peoples R China.
EM ghcao@shu.edu.cn
OI Russell, Alan/0000-0001-5264-0104
FU National Natural Science Foundation of China (NSFC) [51271107];
Alexander-von-Humboldt Foundation
FX This work was supported by the National Natural Science Foundation of
China (NSFC) under Grant No. 51271107. G.H. Cao would like to thank
Prof. Guangjun Shen of Southeast University, China for teaching him
crystallography and transmission electron microscopy, encouraging and
helping for many years, and the support of the Alexander-von-Humboldt
Foundation.
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1359-6454
EI 1873-2453
J9 ACTA MATER
JI Acta Mater.
PD OCT 1
PY 2015
VL 98
BP 103
EP 112
DI 10.1016/j.actamat.2015.07.012
PG 10
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CR1GX
UT WOS:000361074000009
ER
PT J
AU Naglieri, V
Gludovatz, B
Tornsia, AP
Ritchie, RO
AF Naglieri, Valentina
Gludovatz, Bernd
Tornsia, Antoni P.
Ritchie, Robert O.
TI Developing strength and toughness in bio-inspired silicon carbide hybrid
materials containing a compliant phase
SO ACTA MATERIALIA
LA English
DT Article
DE Bio-inspired composites; Silicon carbide; PMMA; Damage-tolerance; Freeze
casting
ID B-C ADDITIONS; ARTIFICIAL NACRE; COMPOSITES; DESIGN; CERAMICS; GRAPHENE;
BEHAVIOR; FILMS
AB Freeze casting has proven to be a versatile processing route to fabricate bio-inspired ("nacre-like") hybrid composites that exhibit unique combinations of strength and toughness (damage-tolerance). To date, however, the effects of small changes in the architecture of such composites on their mechanical properties have been poorly investigated. Here we examine the influence of microstructural features such as ceramic/polymer ratio, layer thickness, and presence of bridges between ceramic lamellae, on the mechanical performance of the resulting composites. To this end, we compare the flexural strength and resistance to failure of a suite of silicon carbide/polymethyl methacrylate (SiC/PMMA) layered composites made by polymer infiltration of freeze-cast SiC scaffolds with various architectures. Our composite structures all show an increasing fracture resistance with crack extension (rising R-curve behavior) due to extrinsic toughening mechanisms such as uncracked-ligament bridging, inelastic deformation of ductile layers, lamellae pull out and ceramic bridge fracture. We show that a fine tuning of the composite architecture can lead to SiC/PMMA samples with a dendritic morphology, which exhibit the best strength and toughness. Specifically, the presence of ceramic bridges connecting the lamellae is seen to provide a strengthening effect similar to the mineral bridges between aragonite platelets in nacre, where they prevent debonding and limit platelet sliding; additionally, the fracture of these bridges between lamellae during crack extension is a potent toughening mechanism, thereby conferring optimal damage tolerance to the material. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
C1 [Naglieri, Valentina; Gludovatz, Bernd; Tornsia, Antoni P.; Ritchie, Robert O.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Ritchie, Robert O.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
RP Ritchie, RO (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
EM roritchie@lbl.gov
RI Ritchie, Robert/A-8066-2008;
OI Ritchie, Robert/0000-0002-0501-6998; Gludovatz,
Bernd/0000-0002-2420-3879
FU Mechanical Behavior of Materials Program at Lawrence Berkeley National
Laboratory, U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences, Materials Sciences and Engineering Division
[DE-AC02-05CH11231]
FX This work was funded through the Mechanical Behavior of Materials
Program at Lawrence Berkeley National Laboratory by the U.S. Department
of Energy, Office of Science, Office of Basic Energy Sciences, Materials
Sciences and Engineering Division, under Contract No. DE-AC02-05CH11231.
The authors would like to thank Drs. Robert Kostecki and Jaroslaw Syzdek
for allowing us access to their high-temperature furnace, and to Amy Wat
for her assistance.
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1359-6454
EI 1873-2453
J9 ACTA MATER
JI Acta Mater.
PD OCT 1
PY 2015
VL 98
BP 141
EP 151
DI 10.1016/j.actamat.2015.07.022
PG 11
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CR1GX
UT WOS:000361074000014
ER
PT J
AU Shao, S
Wang, J
Beyerlein, IJ
Misra, A
AF Shao, Shuai
Wang, Jian
Beyerlein, Irene J.
Misra, Amit
TI Glide dislocation nucleation from dislocation nodes at semi-coherent
{111} Cu-Ni interfaces
SO ACTA MATERIALIA
LA English
DT Article
DE Atomistic simulations; Dislocation; Interface; Nucleation
ID IN-SITU TEM; NANOLAYERED COMPOSITES; PLASTIC-DEFORMATION; ATOMISTIC
SIMULATIONS; METALLIC MULTILAYERS; MECHANICAL-BEHAVIOR; SCREW
DISLOCATION; GRAIN-BOUNDARIES; TWIST BOUNDARIES; NANOTWINNED CU
AB Using atomistic simulations and dislocation theory on a model system of semi-coherent (1 11} interfaces, it is shown that misfit dislocation nodes adopt multiple atomic arrangements corresponding to the creation and redistribution of excess volume at the nodes. Four distinctive node structures were identified: volume-smeared nodes with (i) spiral or (ii) straight dislocation patterns, and volume-condensed nodes with (iii) triangular or (iv) hexagonal dislocation patterns. Volume-smeared nodes contain interfacial dislocations lying in the Cu-Ni interface but volume-condensed nodes contain two sets of interfacial dislocations in the two adjacent interfaces and jogs across the atomic layer between the two adjacent interfaces. Under biaxial tension/compression applied parallel to the interface, it is shown that the nucleation of lattice dislocations is preferred at the nodes and is correlated with the reduction of excess volume at the nodes. Published by Elsevier Ltd. on behalf of Acta Materialia Inc.
C1 [Shao, Shuai] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
[Wang, Jian] Univ Nebraska, Dept Mech & Mat Engn, Lincoln, NE 68588 USA.
[Beyerlein, Irene J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Misra, Amit] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA.
RP Wang, J (reprint author), Univ Nebraska, Dept Mech & Mat Engn, Lincoln, NE 68588 USA.
EM jianwang@unl.edu
RI Shao, Shuai/B-2037-2014; Wang, Jian/F-2669-2012
OI Shao, Shuai/0000-0002-4718-2783; Wang, Jian/0000-0001-5130-300X
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., J.W., and A.M. acknowledge the support provided by the U.S.
Department of Energy, Office of Science, Office of Basic Energy
Sciences. S.S. and I.J.B. also thank 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.
J.W. also acknowledges 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 Prof. J.P. Hirth, Richard
G. Hoagland, and Robert Pond is appreciated.
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1359-6454
EI 1873-2453
J9 ACTA MATER
JI Acta Mater.
PD OCT 1
PY 2015
VL 98
BP 206
EP 220
DI 10.1016/j.actamat.2015.07.044
PG 15
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CR1GX
UT WOS:000361074000021
ER
PT J
AU Zhou, XV
Clark, CD
Nair, SS
Hawkins, SA
Lambert, DM
AF Zhou, Xia Vivian
Clark, Christopher D.
Nair, Sujithkumar Surendran
Hawkins, Shawn A.
Lambert, Dayton M.
TI Environmental and economic analysis of using SWAT to simulate the
effects of switchgrass production on water quality in an impaired
watershed
SO AGRICULTURAL WATER MANAGEMENT
LA English
DT Article
DE Soil and water assessment tool (SWAT); Conversion; Sediment and nutrient
loads; Bioenergy; Economic feasibility; Cost-effectiveness ratios
ID NONPOINT-SOURCE POLLUTION; RIVER-BASIN; MANAGEMENT-PRACTICES; BIOENERGY
FEEDSTOCK; RACCOON RIVER; MODEL; PHOSPHORUS; SEDIMENT; SOIL; IMPACTS
AB Future bioenergy demand will likely result in the conversion of significant amounts of crop and pasture/hay lands in the mid-south of US. The objective of this research is to analyze the effects of the large-scale land use conversion to switchgrass as a bioenergy feedstock on water quality and economic feasibility in Oostanaula Creek watershed in East Tennessee. The soil and water assessment tool (SWAT) model was first used to simulate nutrient loadings of current land use in the watershed. Statistical criteria such as Nash-Suttcliffe efficiency (E) and R-2 were calculated for model calibration and validation. The calibrated SWAT model was then used to simulate the effect of the land use conversion from the entire current crop and pasture/hay lands to switchgrass production. Results show that the conversion reduces average annual watershed loadings of sediment, nitrate (NO3), total nitrogen (TN), and total phosphorous (TP) by an estimated 77%, 62%, 34%, and 46%, respectively. Analysis of net present values of ten years of farm profits and cost-effectiveness ratios for abatement of nutrient loadings indicates that the land use conversion is economically feasible. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Zhou, Xia Vivian; Clark, Christopher D.; Lambert, Dayton M.] Univ Tennessee, Dept Agr & Resource Econ, Knoxville, TN 37996 USA.
[Nair, Sujithkumar Surendran] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA.
[Hawkins, Shawn A.] Univ Tennessee, Dept Biosyst Engn & Soil Sci, Knoxville, TN 37996 USA.
RP Zhou, XV (reprint author), Univ Tennessee, Dept Agr & Resource Econ, 307-A Morgan Hall, Knoxville, TN 37996 USA.
EM xzhou11@utk.edu; cdclark@utk.edu; surendrannas@ornl.gov;
shawkins@utk.edu; dmlambert@tennessee.edu
FU United States Environmental Protection Agency [EM-83298901]
FX This research was funded in part by a grant from the United States
Environmental Protection Agency (Grant No. EM-83298901). Although the
research described in this paper has been funded by the United States
Environmental Protection Agency, it has not been subjected to the
Agency's peer and policy review and therefore does not necessarily
reflect the views of the Agency and no official endorsement should be
inferred.
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PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0378-3774
EI 1873-2283
J9 AGR WATER MANAGE
JI Agric. Water Manage.
PD OCT
PY 2015
VL 160
BP 1
EP 13
DI 10.1016/j.agwat.2015.06.018
PG 13
WC Agronomy; Water Resources
SC Agriculture; Water Resources
GA CQ8NL
UT WOS:000360864900001
ER
PT J
AU Ally, MR
Munk, JD
Baxter, VD
Gehl, AC
AF Ally, Moonis R.
Munk, Jeffrey D.
Baxter, Van D.
Gehl, Anthony C.
TI Exergy analysis of a two-stage ground source heat pump with a vertical
bore for residential space conditioning under simulated occupancy
SO APPLIED ENERGY
LA English
DT Article
DE Sustainability; Exergy; Availability; Geothermal; Heat pump
ID ENERGY ANALYSIS; SYSTEM; PERFORMANCE
AB This twelve-month field study analyzes the performance of a 7.56W (2.16-ton) water-to-air-ground source heat pump (WA-GSHP) to satisfy domestic space conditioning loads in a 253 m(2) house in a mixed-humid climate in the United States. The practical feasibility of using the ground as a source of renewable energy is clearly demonstrated. Better than 75% of the energy needed for space heating was extracted from the ground. The average monthly electricity consumption for space conditioning was only 40 kWh at summer and winter thermostat set points of 24.4 degrees C and 21.7 degrees C, respectively. The WA-GSHP shared the same 94.5 m vertical bore ground loop with a separate water-to-water ground-source heat pump (WW-GSHP) for meeting domestic hot water needs in the same house. Sources of systemic irreversibility, the main cause of lost work, are identified using Exergy and energy analysis.
Quantifying the sources of Exergy and energy losses is essential for further systemic improvements. The research findings suggest that the WA-GSHPs are a practical and viable technology to reduce primary energy consumption and greenhouse gas emissions under the IECC 2012 Standard, as well as the European Union (EU) 2020 targets of using renewable energy resources. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Ally, Moonis R.; Munk, Jeffrey D.; Baxter, Van D.; Gehl, Anthony C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Ally, MR (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM allmr@ornl.gov
OI Gehl, Anthony/0000-0002-4841-403X
FU U.S Department of Energy, Buildings Technology Office under a
Cooperative Research and Development Agreement (CRADA); Climate Master,
Inc.
FX The authors are grateful to the U.S Department of Energy, Buildings
Technology Office program manager, Mr. Antonio Bouza, for supporting
this work under a Cooperative Research and Development Agreement (CRADA)
with Climate Master, Inc. Gratitude is expressed to Dr. Brian Fricke and
to Mr. Vishal Sharma, Oak Ridge National Laboratory for thoroughly
reviewing this paper.
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0306-2619
EI 1872-9118
J9 APPL ENERG
JI Appl. Energy
PD OCT 1
PY 2015
VL 155
BP 502
EP 514
DI 10.1016/j.apenergy.2015.06.004
PG 13
WC Energy & Fuels; Engineering, Chemical
SC Energy & Fuels; Engineering
GA CQ9QV
UT WOS:000360950900043
ER
PT J
AU Kara, EC
Macdonald, JS
Black, D
Berges, M
Hug, G
Kiliccote, S
AF Kara, Emre C.
Macdonald, Jason S.
Black, Douglas
Berges, Mario
Hug, Gabriela
Kiliccote, Sila
TI Estimating the benefits of electric vehicle smart charging at
non-residential locations: A data-driven approach
SO APPLIED ENERGY
LA English
DT Article
DE Electric vehicles; Demand response; Non-residential loads; Data analysis
ID UNITED-STATES; DEMAND; COORDINATION; EMISSIONS; ENERGY; GRIDS
AB In this paper, we use data collected from over 2000 non-residential electric vehicle supply equipments (EVSEs) located in Northern California for the year of 2013 to estimate the potential benefits of smart electric vehicle (EV) charging. We develop a smart charging framework to identify the benefits of non-residential EV charging to the load aggregators and the distribution grid. Using this extensive dataset, we aim to improve upon past studies focusing on the benefits of smart EV charging by relaxing the assumptions made in these studies regarding: (i) driving patterns, driver behavior and driver types; (ii) the scalability of a limited number of simulated vehicles to represent different load aggregation points in the power system with different customer characteristics; and (iii) the charging profile of EVs. First, we study the benefits of EV aggregations behind-the-meter, where a time-of-use pricing schema is used to understand the benefits to the owner when EV aggregations shift load from high cost periods to lower cost periods. For the year of 2013, we show a reduction of up to 24.8% in the monthly bill is possible. Then, following a similar aggregation strategy, we show that EV aggregations decrease their contribution to the system peak load by approximately 37% (median) when charging is controlled within arrival and departure times. Our results also show that it could be expected to shift approximately 0.25 kW h (-2.8%) of energy per non-residential EV charging session from peak periods (12 PM-6 PM) to off-peak periods (after 6 PM) in Northern California for the year of 2013. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Kara, Emre C.; Macdonald, Jason S.; Black, Douglas; Kiliccote, Sila] Lawrence Berkeley Natl Lab, Energy Storage & Distributed Resources Div, Berkeley, CA USA.
[Kara, Emre C.; Berges, Mario] Carnegie Mellon Univ, Civil & Environm Engn, Pittsburgh, PA 15213 USA.
[Hug, Gabriela] Carnegie Mellon Univ, Elect & Comp Engn, Pittsburgh, PA 15213 USA.
RP Kara, EC (reprint author), 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM eckara@lbl.gov
FU Pennsylvania Infrastructure Technology Alliance
FX We would like to thank Pacific Gas and Electric Company and ChargePoint
LLP for providing the data used in this study. We would also like to
thank Salman Masyakeh for helpful discussions. This research was
supported in part by the Pennsylvania Infrastructure Technology
Alliance.
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0306-2619
EI 1872-9118
J9 APPL ENERG
JI Appl. Energy
PD OCT 1
PY 2015
VL 155
BP 515
EP 525
DI 10.1016/j.apenergy.2015.05.072
PG 11
WC Energy & Fuels; Engineering, Chemical
SC Energy & Fuels; Engineering
GA CQ9QV
UT WOS:000360950900044
ER
PT J
AU Chassin, DP
Stoustrup, J
Agathoklis, P
Djilali, N
AF Chassin, David P.
Stoustrup, Jakob
Agathoklis, Panajotis
Djilali, Nedjib
TI A new thermostat for real-time price demand response: Cost, comfort and
energy impacts of discrete-time control without deadband
SO APPLIED ENERGY
LA English
DT Article
DE Retail electricity market; Renewable integration; Real-time pricing;
Demand response; Transactive control
ID POWER
AB Thermostatically controlled electrical loads can provide valuable energy storage and are prime candidates for fast acting demand response (DR) that can be used to mitigate highly variable renewable power generation and limited availability of ramping resources. When conventional thermostats are retrofitted for real-time price DR control, significant control errors can arise, particularly in the form of dispatch control drift. This paper identifies the underlying causes and presents a new residential thermostat design that enables accurate aggregate load control. The new design gives rise to linear time-invariant models of aggregate load control and demand response, which facilitate the design of highly accurate load-based regulation services for electricity interconnections. Detailed simulation and performance studies coupling a residential house and feeder models are presented to show how consumer comfort and cost savings are achieved and how energy use is impacted for cities in three different climatic zones. During peak times, the new thermostat imparts the entire residential load an energy demand elasticity of about 10-25%. Larger demand elasticities could be achieved by extending the control strategy to other residential thermostatic loads. The proposed thermostat design can operate in the real-time distribution capacity auction system and can provide all the benefits associated with transactive systems, and in particular facilitate increased integration of renewable resources. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Chassin, David P.; Agathoklis, Panajotis; Djilali, Nedjib] Univ Victoria, Victoria, BC, Canada.
[Chassin, David P.; Stoustrup, Jakob] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Chassin, DP (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM david.chassin@pnnl.gov; jakob.stoustrup@pnnl.gov; panagath@uvic.ca;
ndjilali@uvic.ca
RI Djilali, Ned/B-1232-2010;
OI Djilali, Ned/0000-0002-9047-0289; Stoustrup, Jakob/0000-0001-9202-3135
FU US Department of Energy's Pacific Northwest National Laboratory in
Richland, Washington (USA); US Department of Energy [DE-AC05-76RL01830]
FX This work was funded by the US Department of Energy's Pacific Northwest
National Laboratory, located in Richland, Washington (USA). Pacific
Northwest National Laboratory is operated by Battelle Memorial Institute
for the US Department of Energy under Contract DE-AC05-76RL01830.
NR 32
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U1 3
U2 16
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0306-2619
EI 1872-9118
J9 APPL ENERG
JI Appl. Energy
PD OCT 1
PY 2015
VL 155
BP 816
EP 825
DI 10.1016/j.apenergy.2015.06.048
PG 10
WC Energy & Fuels; Engineering, Chemical
SC Energy & Fuels; Engineering
GA CQ9QV
UT WOS:000360950900066
ER
PT J
AU Dantas, JM
Kokhan, O
Pokkuluri, PR
Salgueiro, CA
AF Dantas, Joana M.
Kokhan, Oleksandr
Pokkuluri, P. Raj
Salgueiro, Carlos A.
TI Molecular interaction studies revealed the bifunctional behavior of
triheme cytochrome PpcA from Geobacter sulfurreducens toward the redox
active analog of humic substances
SO BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS
LA English
DT Article
DE Geobacter; Humics; Multiheme cytochromes; NMR; Electron transfer
ID METAL REDUCTION; COMPLEXES; FAMILY; RESPIRATION; PROTEINS; C(7); NMR;
ENVIRONMENTS; DIVERSITY; SYSTEM
AB Humic substances (HS) constitute a significant fraction of natural organic matter in terrestrial and aquatic environments and can act as terminal electron acceptors in anaerobic microbial respiration. Geobacter sulfurreducens has a remarkable respiratory versatility and can utilize the HS analog anthraquinone-2,6-disulfonate (AQDS) as a terminal electron acceptor or its reduced form (AH(2)QDS) as an electron donor. Previous studies set the triheme cytochrome PpcA as a key component for HS respiration in G. sulfurreducens, but the process is far from fully understood. In this work, NMR chemical shift perturbation measurements were used to map the interaction region between PpcA and AH(2)QDS, and to measure their binding affinity. The results showed that the AH2QDS binds reversibly to the more solvent exposed edge of PpcA heme IV. The NMR and visible spectroscopies coupled to redox measurements were used to determine the thermodynamic parameters of the PpcA:quinol complex. The higher reduction potential of heme IV (-127 mV) compared to that of AH2QDS (-184 mV) explains why the electron transfer is more favorable in the case of reduction of the cytochrome by the quinol. The clear evidence obtained for the formation of an electron transfer complex between AH2QDS and PpcA, combined with the fact that the protein also formed a redox complex with AQDS, revealed for the first time the bifunctional behavior of PpcA toward an analog of the HS. Such behavior might confer selective advantage to G. sulfurreducens, which can utilize the HS in any redox state available in the environment for its metabolic needs. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Dantas, Joana M.; Salgueiro, Carlos A.] Univ Nova Lisboa, UCIBIO Requimte, Dept Quim, Fac Ciencias & Tecnol, P-2829516 Caparica, Portugal.
[Kokhan, Oleksandr] James Madison Univ, Dept Chem & Biochem, Harrisonburg, VA 22807 USA.
[Pokkuluri, P. Raj] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA.
RP Salgueiro, CA (reprint author), Univ Nova Lisboa, UCIBIO Requimte, Dept Quim, Fac Ciencias & Tecnol, Campus Caparica, P-2829516 Caparica, Portugal.
EM csalgueiro@fct.unl.pt
RI Salgueiro, Carlos/A-4522-2013; Dantas, Joana/B-8275-2017;
OI Salgueiro, Carlos/0000-0003-1136-809X; Dantas,
Joana/0000-0002-4852-7608; Kokhan, Oleksandr/0000-0001-9867-8044
FU Fundacao para a Ciencia e a Tecnologia (FCT), Portugal
[PTDC/BBB-BEP/0753/2012, UID/Multi/04378/2013, REEQ/336/BIO/2005]; FCT
[SFRH/BD/89701/2012]; division of Chemical Sciences, Geosciences, and
Biosciences, Office of Basic Energy Sciences of the U.S. Department of
Energy program [DE-AC02-06CH11357]
FX This work was supported by grant project grant PTDC/BBB-BEP/0753/2012
(to CAS), UID/Multi/04378/2013 and the re-equipment grant
REEQ/336/BIO/2005 from Fundacao para a Ciencia e a Tecnologia (FCT),
Portugal. JMD is the recipient of grant SFRH/BD/89701/2012 from FCT. PRP
is partially supported by the division of Chemical Sciences,
Geosciences, and Biosciences, Office of Basic Energy Sciences of the
U.S. Department of Energy program under contract no. DE-AC02-06CH11357.
We gratefully acknowledge the computing resources provided on Blues, a
high-performance computing cluster operated by the Laboratory Computing
Resource Center at Argonne National Laboratory.
NR 40
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Z9 3
U1 3
U2 15
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0005-2728
EI 0006-3002
J9 BBA-BIOENERGETICS
JI Biochim. Biophys. Acta-Bioenerg.
PD OCT
PY 2015
VL 1847
IS 10
BP 1129
EP 1138
DI 10.1016/j.bbabio.2015.06.004
PG 10
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA CQ8PY
UT WOS:000360872100012
PM 26071085
ER
PT J
AU Fornalski, KW
Adams, R
Allison, W
Corrice, LE
Cuttler, JM
Davey, C
Dobrzynski, L
Esposito, VJ
Feinendegen, LE
Gomez, LS
Lewis, P
Mahn, J
Miller, ML
Pennington, CW
Sacks, B
Sutou, S
Welsh, JS
AF Fornalski, Krzysztof W.
Adams, Rod
Allison, Wade
Corrice, Leslie E.
Cuttler, Jerry M.
Davey, Chris
Dobrzynski, Ludwik
Esposito, Vincent J.
Feinendegen, Ludwig E.
Gomez, Leo S.
Lewis, Patricia
Mahn, Jeffrey
Miller, Mark L.
Pennington, Charles W.
Sacks, Bill
Sutou, Shizuyo
Welsh, James S.
TI The assumption of radon-induced cancer risk
SO CANCER CAUSES & CONTROL
LA English
DT Letter
ID LUNG-CANCER; CARCINOGENESIS
C1 [Fornalski, Krzysztof W.] PGE EJ 1 Sp Zoo, PL-00542 Warsaw, Poland.
[Fornalski, Krzysztof W.] Polish Nucl Soc PTN, Warsaw, Poland.
[Adams, Rod] Atom Insights LLC, New York, NY USA.
[Allison, Wade] Univ Oxford, Oxford, England.
[Cuttler, Jerry M.] Cuttler & Associates, Vaughan, ON, Canada.
[Davey, Chris] King Abdullah Univ Sci & Technol, Thuwal, Saudi Arabia.
[Dobrzynski, Ludwik] Natl Ctr Nucl Res NCBJ, Otwock, Poland.
[Esposito, Vincent J.] Univ Pittsburgh, Pittsburgh, PA USA.
[Feinendegen, Ludwig E.] Univ Dusseldorf, Dusseldorf, Germany.
[Gomez, Leo S.] Leo S Gomez Consulting, Albuquerque, NM USA.
[Lewis, Patricia] Free Enterprise Radon Hlth Mine, Boulder, MT USA.
[Mahn, Jeffrey; Miller, Mark L.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Pennington, Charles W.] Execut Nucl Energy Consultant, Alpharetta, GA USA.
[Sutou, Shizuyo] Shujitsu Univ, Okayama, Japan.
[Welsh, James S.] Loyola Univ Chicago, Stritch Sch Med, Maywood, IL USA.
RP Fornalski, KW (reprint author), PGE EJ 1 Sp Zoo, Ul Mokotowska 49, PL-00542 Warsaw, Poland.
EM krzysztof.fornalski@gmail.com
NR 11
TC 2
Z9 2
U1 0
U2 7
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0957-5243
EI 1573-7225
J9 CANCER CAUSE CONTROL
JI Cancer Causes Control
PD OCT
PY 2015
VL 26
IS 10
BP 1517
EP 1518
DI 10.1007/s10552-015-0638-9
PG 2
WC Oncology; Public, Environmental & Occupational Health
SC Oncology; Public, Environmental & Occupational Health
GA CR1FD
UT WOS:000361068800016
PM 26223888
ER
PT J
AU Dayal, V
Kumar, VP
Hadimani, RL
Jiles, DC
AF Dayal, Vijaylakshmi
Kumar, V. Punith
Hadimani, R. L.
Jiles, D. C.
TI Critical behavior studies in Ti-substituted lanthanum bismuth perovskite
manganites
SO CURRENT APPLIED PHYSICS
LA English
DT Article
DE Magnetic properties; Magnetic materials; Critical phenomena; Phase
transitions
ID MAGNETIC-PROPERTIES; DOPED MANGANITES; GRIFFITHS PHASE; TEMPERATURE;
SUSCEPTIBILITY; FERROMAGNET; TRANSPORT; NICKEL; POINT
AB Perovskite manganite La0.4Bi0.6Mn1-xTixO3 (x = 0.05 and 0.1) synthesized using conventional solid state route method give rise to critical phenomenon in their magnetic interactions due to the substitution of non magnetic Ti ions. The critical behavior is observed near paramagnetic-ferromagnetic transition and is studied by magnetization measurements. Various techniques like Modified Arrott plot, Kouvel-Fisher method, scaling equation of state analysis and the critical magnetization isotherm were used to analyze the magnetization data on magnetic phase transition. The values of critical exponents beta and gamma obtained using different techniques are in good agreement. The obtained critical exponents are found to follow scaling equation with the magnetization data scaled into two different curves below and above the transition temperature, T-C. This confirms that the critical exponents and T-C are reasonably accurate. The obtained critical exponents for both the samples deviates from mean-field model and do not completely follow the static long range ferromagnetic ordering. This behavior is consistent with non magnetic nature of Ti substituted at Mn site and can be associated with Griffiths phase like phenomenon. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Dayal, Vijaylakshmi; Kumar, V. Punith] Maharaja Inst Technol Mysore, Dept Phys, Mysore 571438, Karnataka, India.
[Dayal, Vijaylakshmi; Kumar, V. Punith] Visvesvaraya Technol Univ, Recognised Res Ctr, Belgaum 590014, Karnataka, India.
[Hadimani, R. L.; Jiles, D. C.] Iowa State Univ, Dept Elect & Comp Engn, Ames, IA 50011 USA.
[Hadimani, R. L.; Jiles, D. C.] US DOE, Ames Lab, Ames, IA 50011 USA.
RP Dayal, V (reprint author), Maharaja Inst Technol Mysore, Dept Phys, Mysore 571438, Karnataka, India.
EM drvldayal@gmail.com
OI V., PUNITH KUMAR/0000-0002-4760-4835; Dayal,
Vijaylakshmi/0000-0002-1330-0729
FU Department of Atomic Energy-Board of Research in Nuclear Sciences
(DAE-BRNS), Govt. of India under DAE-Young Scientist research Award
[2011/20/37P/01/BRNS]; DAE-BRNS
FX This work is supported by Department of Atomic Energy-Board of Research
in Nuclear Sciences (DAE-BRNS), Govt. of India under DAE-Young Scientist
research Award to Vijaylakshmi Dayal (via project sanction No:
2011/20/37P/01/BRNS). Punith Kumar V. is indebted to DAE-BRNS for SRF
fellowship. Ravi Hadimani, David Jiles and authors acknowledges Barbara
and James Palmer Endowment at the Department of Electrical and Computer
Engineering, Iowa State University, USA for magnetization measurements.
NR 33
TC 1
Z9 1
U1 1
U2 12
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1567-1739
EI 1878-1675
J9 CURR APPL PHYS
JI Curr. Appl. Phys.
PD OCT
PY 2015
VL 15
IS 10
BP 1245
EP 1250
DI 10.1016/j.cap.2015.07.014
PG 6
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA CQ9EQ
UT WOS:000360915500023
ER
PT J
AU Chen, SQ
Yang, WW
Yoshino, H
Levine, MD
Newhouse, K
Hinge, A
AF Chen, Shuqin
Yang, Weiwei
Yoshino, Hiroshi
Levine, Mark D.
Newhouse, Katy
Hinge, Adam
TI Definition of occupant behavior in residential buildings and its
application to behavior analysis in case studies
SO ENERGY AND BUILDINGS
LA English
DT Article
DE Definition of occupant behavior; Residential buildings; Characteristics
of occupant behavior; Case studies
ID ENERGY-CONSUMPTION; NORTH CHINA; SIMULATION
AB One significant obstacle improving the energy efficiency of buildings is a lack of understanding the occupant behavior in buildings. There is a need for systematic definitions to describe occupant behavior for different research purposes. To achieve this, three-levels of definitions for behavioral parameters for residential buildings were developed. The three levels - simple, intermediate and complex - serve three research purposes-statistical analysis, case studies and detailed diagnostics/simulation, respectively. For statistical analysis, a few parameters related to the schedule of occupancy and appliances are defined. More parameters are defined at the intermediate level, where definitions for the operation schedule and the set point of appliances for case studies are provided. For the complex level, subschemas are defined to describe the schedule, set points and control rules of three kinds of occupant behavior, namely occupancy, appliance operation, and window/shading operation. A statistical survey of occupant behavior in residential buildings in a city and a one-year monitoring of occupant behavior in a family were conducted to verify the simple-level definitions and the complex-level definitions. The result indicates the different levels of definitions can apply to different research purposes and reveals the main features and energy saving potential related to occupant behavior. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Chen, Shuqin] Zhejiang Univ, Coll Civil Engn & Architecture, Hangzhou 300058, Zhejiang, Peoples R China.
[Yang, Weiwei] Tongji Univ, Coll Civil Engn, Shanghai 200092, Peoples R China.
[Yoshino, Hiroshi] Tohoku Univ, Dept Architecture & Bldg Sci, Sendai, Miyagi 9808579, Japan.
[Levine, Mark D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Newhouse, Katy] Univ Michigan, Sch Nat Resources & Environm, Ann Arbor, MI 48104 USA.
[Newhouse, Katy] Univ Michigan, Ross Sch Business, Ann Arbor, MI 48104 USA.
[Hinge, Adam] Sustainable Energy Partnerships, Tarrytown, NY 10591 USA.
RP Chen, SQ (reprint author), Zhejiang Univ, Yueya Bldg,Rm408,Zijingang Campus, Hangzhou 310058, Zhejiang, Peoples R China.
EM hn_csq@126.com
FU Scientific Research Foundation for the Returned Overseas Chinese
Scholars of State Education Ministry; Zhejiang Provincial Natural
Science Foundation of China [LQ15E080001]
FX This research is supported by the Scientific Research Foundation for the
Returned Overseas Chinese Scholars of State Education Ministry
(agent-based modeling of stochastic occupant behavior of energy use in
residential buildings), and Zhejiang Provincial Natural Science
Foundation of China under Grant No. LQ15E080001 (research on
characteristics of stochastic use behavior of air conditioners in
residential communities and its simulation methodology).
NR 24
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Z9 3
U1 2
U2 19
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0378-7788
EI 1872-6178
J9 ENERG BUILDINGS
JI Energy Build.
PD OCT 1
PY 2015
VL 104
BP 1
EP 13
DI 10.1016/j.enbuild.2015.06.075
PG 13
WC Construction & Building Technology; Energy & Fuels; Engineering, Civil
SC Construction & Building Technology; Energy & Fuels; Engineering
GA CR2KY
UT WOS:000361159700001
ER
PT J
AU Seco, R
Karl, T
Guenther, A
Hosman, KP
Pallardy, SG
Gu, LH
Geron, C
Harley, P
Kim, S
AF Seco, Roger
Karl, Thomas
Guenther, Alex
Hosman, Kevin P.
Pallardy, Stephen G.
Gu, Lianhong
Geron, Chris
Harley, Peter
Kim, Saewung
TI Ecosystem-scale volatile organic compound fluxes during an extreme
drought in a broadleaf temperate forest of the Missouri Ozarks (central
USA)
SO GLOBAL CHANGE BIOLOGY
LA English
DT Article
DE biogenic emissions; drought; isoprene; isoprene volcano; megan;
methanol; monoterpenes; VOC
ID REACTION MASS-SPECTROMETRY; WESTERN MEDITERRANEAN BASIN; EDDY COVARIANCE
MEASUREMENT; EMISSION RATE VARIABILITY; OXYGENATED VOC EMISSIONS;
ISOPRENE EMISSION; QUERCUS-ILEX; MONOTERPENE EMISSIONS; HOLM OAK;
ENVIRONMENTAL-FACTORS
AB Considerable amounts and varieties of biogenic volatile organic compounds (BVOCs) are exchanged between vegetation and the surrounding air. These BVOCs play key ecological and atmospheric roles that must be adequately represented for accurately modeling the coupled biosphere-atmosphere-climate earth system. One key uncertainty in existing models is the response of BVOC fluxes to an important global change process: drought. We describe the diurnal and seasonal variation in isoprene, monoterpene, and methanol fluxes from a temperate forest ecosystem before, during, and after an extreme 2012 drought event in the Ozark region of the central USA. BVOC fluxes were dominated by isoprene, which attained high emission rates of up to 35.4mgm(-2)h(-1) at midday. Methanol fluxes were characterized by net deposition in the morning, changing to a net emission flux through the rest of the daylight hours. Net flux of CO2 reached its seasonal maximum approximately a month earlier than isoprenoid fluxes, which highlights the differential response of photosynthesis and isoprenoid emissions to progressing drought conditions. Nevertheless, both processes were strongly suppressed under extreme drought, although isoprene fluxes remained relatively high compared to reported fluxes from other ecosystems. Methanol exchange was less affected by drought throughout the season, confirming the complex processes driving biogenic methanol fluxes. The fraction of daytime (7-17h) assimilated carbon released back to the atmosphere combining the three BVOCs measured was 2% of gross primary productivity (GPP) and 4.9% of net ecosystem exchange (NEE) on average for our whole measurement campaign, while exceeding 5% of GPP and 10% of NEE just before the strongest drought phase. The meganv2.1 model correctly predicted diurnal variations in fluxes driven mainly by light and temperature, although further research is needed to address model BVOC fluxes during drought events.
C1 [Seco, Roger; Kim, Saewung] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA.
[Karl, Thomas] Univ Innsbruck, Inst Meteorol & Geophys, A-6020 Innsbruck, Austria.
[Guenther, Alex] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Guenther, Alex] Washington State Univ, Dept Civil & Environm Engn, Pullman, WA 99164 USA.
[Hosman, Kevin P.; Pallardy, Stephen G.] Univ Missouri, Dept Forestry, Columbia, MO 65211 USA.
[Gu, Lianhong] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
[Geron, Chris] US EPA, Natl Risk Management Res Lab, Res Triangle Pk, NC 27711 USA.
[Harley, Peter] Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80301 USA.
RP Seco, R (reprint author), Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA.
EM email@rogerseco.cat
RI Seco, Roger/F-7124-2011; Kim, Saewung/E-4089-2012; Karl,
Thomas/D-1891-2009; Gu, Lianhong/H-8241-2014
OI Seco, Roger/0000-0002-2078-9956; Karl, Thomas/0000-0003-2869-9426; Gu,
Lianhong/0000-0001-5756-8738
FU Fundacion Ramon Areces; EC Seventh Framework Program (Marie Curie
Reintegration Program, 'ALP-AIR') [334084]; Laboratory Directed Research
and Development Program at Pacific Northwest National Laboratory; U.S.
Department of Energy, Office of Science, Office of Biological and
Environmental Research Program, Climate and Environmental Sciences
Division; U.S. Department of Energy [DE-AC05-00OR22725,
DE-FG02-03ER63683]; National Science Foundation
FX RS was partly supported by a postdoctoral fellowship awarded by
Fundacion Ramon Areces. TK was supported by the EC Seventh Framework
Program (Marie Curie Reintegration Program, 'ALP-AIR', grant no.
334084). AG was supported by the Laboratory Directed Research and
Development Program at Pacific Northwest National Laboratory. Help by
Dr. Pawel Misztal with computer programming and fruitful discussions
with Dr. Mark Potosnak were greatly appreciated. This study was partly
supported by the U.S. Department of Energy, Office of Science, Office of
Biological and Environmental Research Program, Climate and Environmental
Sciences Division. ORNL is managed by UT-Battelle, LLC, for the U.S.
Department of Energy under contract DE-AC05-00OR22725. U.S. Department
of Energy support for the University of Missouri (Grant
DE-FG02-03ER63683) is gratefully acknowledged. The views expressed in
this article are those of the authors and do not necessarily represent
the views or policies of the U.S. Environmental Protection Agency. It
has been subjected to Agency's administrative review and approved for
publication. The National Center for Atmospheric Research is sponsored
by the National Science Foundation.
NR 136
TC 13
Z9 13
U1 12
U2 70
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1354-1013
EI 1365-2486
J9 GLOBAL CHANGE BIOL
JI Glob. Change Biol.
PD OCT
PY 2015
VL 21
IS 10
BP 3657
EP 3674
DI 10.1111/gcb.12980
PG 18
WC Biodiversity Conservation; Ecology; Environmental Sciences
SC Biodiversity & Conservation; Environmental Sciences & Ecology
GA CR0FS
UT WOS:000360994500009
PM 25980459
ER
PT J
AU Smith, FA
Lyons, SK
Wagner, PJ
Elliott, SM
AF Smith, Felisa A.
Lyons, S. Kathleen
Wagner, Peter J.
Elliott, Scott M.
TI The importance of considering animal body mass in IPCC greenhouse
inventories and the underappreciated role of wild herbivores
SO GLOBAL CHANGE BIOLOGY
LA English
DT Article
DE allometry; enteric emissions; IPCC Tier 1; IPCC Tier 2; megaherbivores;
methane; wild mammals
ID METHANE PRODUCTION; EMISSIONS; MITIGATION
AB Methane is an important greenhouse gas, but characterizing production by source sector has proven difficult. Current estimates suggest herbivores produce similar to 20% (similar to 76-189Tgyr(-1)) of methane globally, with wildlife contributions uncertain. We develop a simple and accurate method to estimate methane emissions and reevaluate production by wildlife. We find a strikingly robust relationship between body mass and methane output exceeding the scaling expected by differences in metabolic rate. Our allometric model gives a significantly better fit to empirical data than IPCC Tier 1 and 2 calculations. Our analysis suggests that (i) the allometric model provides an easier and more robust estimate of methane production than IPCC models currently in use; (ii) output from wildlife is much higher than previously considered; and (iii) because of the allometric scaling of methane output with body mass, national emissions could be reduced if countries favored more, smaller livestock, over fewer, larger ones.
C1 [Smith, Felisa A.] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA.
[Lyons, S. Kathleen; Wagner, Peter J.] Smithsonian Inst, Natl Museum Nat Hist, Dept Paleobiol, Washington, DC 20013 USA.
[Elliott, Scott M.] Los Alamos Natl Lab, Sea Ice Modeling COSIM, Ocean, Climate, Los Alamos, NM 87545 USA.
RP Smith, FA (reprint author), Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA.
EM fasmith@unm.edu
FU National Science Foundation [BIO-0541625]
FX We thank members of the Smith/Brown laboratory group for comments; and
the National Science Foundation (BIO-0541625) for financial support.
NR 27
TC 4
Z9 4
U1 2
U2 12
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1354-1013
EI 1365-2486
J9 GLOBAL CHANGE BIOL
JI Glob. Change Biol.
PD OCT
PY 2015
VL 21
IS 10
BP 3880
EP 3888
DI 10.1111/gcb.12973
PG 9
WC Biodiversity Conservation; Ecology; Environmental Sciences
SC Biodiversity & Conservation; Environmental Sciences & Ecology
GA CR0FS
UT WOS:000360994500027
PM 25970851
ER
PT J
AU Schwahn, SO
AF Schwahn, Scott O.
TI Absorbed Dose Rates in Tissue from Prompt Gamma Emissions from
Near-thermal Neutron Absorption
SO HEALTH PHYSICS
LA English
DT Article
AB Prompt gamma emission data from the International Atomic Energy Agency's Prompt Gamma-ray Neutron Activation Analysis database are analyzed to determine the absorbed dose rates in tissue to be expected when natural elements are exposed in a near-thermal neutron environment.
C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Schwahn, SO (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM schwahnso@ornl.gov
RI Schwahn, Scott/C-2530-2016
OI Schwahn, Scott/0000-0001-7105-3095
NR 4
TC 0
Z9 0
U1 0
U2 0
PU LIPPINCOTT WILLIAMS & WILKINS
PI PHILADELPHIA
PA TWO COMMERCE SQ, 2001 MARKET ST, PHILADELPHIA, PA 19103 USA
SN 0017-9078
EI 1538-5159
J9 HEALTH PHYS
JI Health Phys.
PD OCT
PY 2015
VL 109
IS 4
BP 319
EP 322
DI 10.1097/HP.0000000000000288
PG 4
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 CQ8DT
UT WOS:000360837200007
PM 26313590
ER
PT J
AU McManus, MC
Taylor, CM
Mohr, A
Whittaker, C
Scown, CD
Borrion, AL
Glithero, NJ
Yin, Y
AF McManus, Marcelle C.
Taylor, Caroline M.
Mohr, Alison
Whittaker, Carly
Scown, Corinne D.
Borrion, Aiduan Li
Glithero, Neryssa J.
Yin, Yao
TI Challenge clusters facing LCA in environmental decision-making-what we
can learn from biofuels
SO INTERNATIONAL JOURNAL OF LIFE CYCLE ASSESSMENT
LA English
DT Article
DE Biofuels; Bioenergy; LCA; Policy; Sustainability; Uncertainty
ID LIFE-CYCLE ASSESSMENT; GREENHOUSE-GAS EMISSIONS; 1ST GENERATION
BIOFUELS; LAND-USE CHANGES; UNITED-KINGDOM; 2ND-GENERATION BIOFUELS;
ECOSYSTEM SERVICES; PUBLIC ENGAGEMENT; CONSEQUENTIAL LCA; IMPACT
ASSESSMENT
AB Bioenergy is increasingly used to help meet greenhouse gas (GHG) and renewable energy targets. However, bioenergy's sustainability has been questioned, resulting in increasing use of life cycle assessment (LCA). Bioenergy systems are global and complex, and market forces can result in significant changes, relevant to LCA and policy. The goal of this paper is to illustrate the complexities associated with LCA, with particular focus on bioenergy and associated policy development, so that its use can more effectively inform policymakers.
The review is based on the results from a series of workshops focused on bioenergy life cycle assessment. Expert submissions were compiled and categorized within the first two workshops. Over 100 issues emerged. Accounting for redundancies and close similarities in the list, this reduced to around 60 challenges, many of which are deeply interrelated. Some of these issues were then explored further at a policy-facing workshop in London, UK. The authors applied a rigorous approach to categorize the challenges identified to be at the intersection of biofuels/bioenergy LCA and policy.
The credibility of LCA is core to its use in policy. Even LCAs that comply with ISO standards and policy and regulatory instruments leave a great deal of scope for interpretation and flexibility. Within the bioenergy sector, this has led to frustration and at times a lack of obvious direction. This paper identifies the main challenge clusters: overarching issues, application and practice and value and ethical judgments. Many of these are reflective of the transition from application of LCA to assess individual products or systems to the wider approach that is becoming more common. Uncertainty in impact assessment strongly influences planning and compliance due to challenges in assigning accountability, and communicating the inherent complexity and uncertainty within bioenergy is becoming of greater importance.
The emergence of LCA in bioenergy governance is particularly significant because other sectors are likely to transition to similar governance models. LCA is being stretched to accommodate complex and broad policy-relevant questions, seeking to incorporate externalities that have major implications for long-term sustainability. As policy increasingly relies on LCA, the strains placed on the methodology are becoming both clearer and impedimentary. The implications for energy policy, and in particular bioenergy, are large.
C1 [McManus, Marcelle C.; Whittaker, Carly; Borrion, Aiduan Li] Univ Bath, Dept Mech Engn, Bath BA2 7AY, Avon, England.
[Taylor, Caroline M.] Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94704 USA.
[Mohr, Alison] Univ Nottingham, Inst Sci & Soc, Sch Sociol & Social Policy, Nottingham NG7 2RD, England.
[Scown, Corinne D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Glithero, Neryssa J.] Univ Nottingham, Sch Biosci, Nottingham LE12 5RD, England.
[Yin, Yao] EBI, Berkeley, CA USA.
RP McManus, MC (reprint author), Univ Bath, Dept Mech Engn, Bath BA2 7AY, Avon, England.
EM M.McManus@bath.ac.uk
RI Scown, Corinne/D-1253-2013;
OI Mohr, Alison/0000-0002-9297-6021
FU BBSRC UK/US [BB/J020184/1]; University of Bath; Energy Biosciences
Institute (EBI) University California, Berkeley; UK/US partnership
grant; BBSRC Bioenergy Champion fund; University of Nottingham's STS
Priority Group; School of Sociology and Social Policy; UK BBSRC BSBEC
LACE Programme [BB/G01616X/1]; Lawrence Berkeley National Laboratory, US
Department of Energy [DE-AC03-76SF00098]; Leverhulme Trust
[RP2011-SP013]
FX The authors are grateful for the excellent input of the anonymous
reviewers. The authors would like to thank their funders: the BBSRC
UK/US partnership grant BB/J020184/1, the University of Bath and the
Energy Biosciences Institute (EBI) University California, Berkeley. The
work for this paper was initially carried out in two workshops: July
2011, EBI, Berkeley, US; and March 2012, University Bath, UK. These
workshops were both funded by the UK/US partnership grant. In addition,
some further information was tested and gathered during a workshop in
July 2012 in London, UK. This workshop was co-funded by the BBSRC
Bioenergy Champion fund and the University of Nottingham's STS Priority
Group and School of Sociology and Social Policy. Drs McManus, Borrion,
Mohr, Whittaker and Glithero were partially funded by the UK BBSRC BSBEC
LACE Programme (BB/G01616X/1). Dr Scown's work was carried out in part
at the Lawrence Berkeley National Laboratory, which is operated for the
US Department of Energy under Contract Grant No. DE-AC03-76SF00098. Dr
Mohr also acknowledges the support of the Leverhulme Trust
(RP2011-SP013). The authors would like to thank Simon Barnes for his
help during the drafting process. No new data were created during this
study.
NR 131
TC 4
Z9 4
U1 7
U2 34
PU SPRINGER HEIDELBERG
PI HEIDELBERG
PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY
SN 0948-3349
EI 1614-7502
J9 INT J LIFE CYCLE ASS
JI Int. J. Life Cycle Assess.
PD OCT
PY 2015
VL 20
IS 10
BP 1399
EP 1414
DI 10.1007/s11367-015-0930-7
PG 16
WC Engineering, Environmental; Environmental Sciences
SC Engineering; Environmental Sciences & Ecology
GA CQ9LM
UT WOS:000360936300006
PM 27453635
ER
PT J
AU Yung, MMC
Park, DM
Overton, KW
Blow, MJ
Hoover, CA
Smit, J
Murray, SR
Ricci, DP
Christen, B
Bowman, GR
Jiao, YQ
AF Yung, Mimi C.
Park, Dan M.
Overton, K. Wesley
Blow, Matthew J.
Hoover, Cindi A.
Smit, John
Murray, Sean R.
Ricci, Dante P.
Christen, Beat
Bowman, Grant R.
Jiao, Yongqin
TI Transposon Mutagenesis Paired with Deep Sequencing of Caulobacter
crescentus under Uranium Stress Reveals Genes Essential for
Detoxification and Stress Tolerance
SO JOURNAL OF BACTERIOLOGY
LA English
DT Article
ID HEAVY-METAL RESISTANCE; GRAM-NEGATIVE BACTERIA; S-LAYER PROTEIN;
OUTER-MEMBRANE; I SECRETION; TOLC; ACCUMULATION; REDUCTION; GROWTH;
BIOMINERALIZATION
AB The ubiquitous aquatic bacterium Caulobacter crescentus is highly resistant to uranium (U) and facilitates U biomineralization and thus holds promise as an agent of U bioremediation. To gain an understanding of how C. crescentus tolerates U, we employed transposon (Tn) mutagenesis paired with deep sequencing (Tn-seq) in a global screen for genomic elements required for U resistance. Of the 3,879 annotated genes in the C. crescentus genome, 37 were found to be specifically associated with fitness under U stress, 15 of which were subsequently tested through mutational analysis. Systematic deletion analysis revealed that mutants lacking outer membrane transporters (rsaF(a) and rsaF(b)), a stress-responsive transcription factor (cztR), or a ppGpp synthetase/hydrolase (spoT) exhibited a significantly lower survival rate under U stress. RsaF(a) and RsaF(b), which are homologues of TolC in Escherichia coli, have previously been shown to mediate S-layer export. Transcriptional analysis revealed upregulation of rsaF(a) and rsaF(b) by 4- and 10-fold, respectively, in the presence of U. We additionally show that rsaF(a) mutants accumulated higher levels of U than the wild type, with no significant increase in oxidative stress levels. Our results suggest a function for RsaF(a) and RsaF(b) in U efflux and/or maintenance of membrane integrity during U stress. In addition, we present data implicating CztR and SpoT in resistance to U stress. Together, our findings reveal novel gene targets that are key to understanding the molecular mechanisms of U resistance in C. crescentus.
IMPORTANCE
Caulobacter crescentus is an aerobic bacterium that is highly resistant to uranium (U) and has great potential to be used in U bioremediation, but its mechanisms of U resistance are poorly understood. We conducted a Tn-seq screen to identify genes specifically required for U resistance in C. crescentus. The genes that we identified have previously remained elusive using other omics approaches and thus provide significant insight into the mechanisms of U resistance by C. crescentus. In particular, we show that outer membrane transporters RsaF(a) and RsaF(b), previously known as part of the S-layer export machinery, may confer U resistance by U efflux and/or by maintaining membrane integrity during U stress.
C1 [Yung, Mimi C.; Park, Dan M.; Overton, K. Wesley; Jiao, Yongqin] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Biosci & Biotechnol Div, Livermore, CA 94550 USA.
[Blow, Matthew J.; Hoover, Cindi A.] DOE Joint Genome Inst, Walnut Creek, CA USA.
[Smit, John] Univ British Columbia, Dept Microbiol & Immunol, Vancouver, BC V5Z 1M9, Canada.
[Murray, Sean R.] Calif State Univ Northridge, Dept Biol, Northridge, CA 91330 USA.
[Ricci, Dante P.] Stanford Univ, Dept Dev Biol, Sch Med, Stanford, CA 94305 USA.
[Christen, Beat] ETH, Inst Mol Syst Biol, Zurich, Switzerland.
[Bowman, Grant R.] Univ Wyoming, Dept Mol Biol, Laramie, WY 82071 USA.
RP Jiao, YQ (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Biosci & Biotechnol Div, Livermore, CA 94550 USA.
EM jiao1@llnl.gov
RI Blow, Matthew/G-6369-2012;
OI Blow, Matthew/0000-0002-8844-9149; Yung, Mimi/0000-0003-0534-0728
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344 (LLNL-JRNL-670205)]; Department of Energy Early
Career Research Program award from the Office of Biological and
Environmental Sciences; JGI Community Science Program
FX This work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under contract
DE-AC52-07NA27344 (LLNL-JRNL-670205). This study was supported by a
Department of Energy Early Career Research Program award from the Office
of Biological and Environmental Sciences (to Y.J.) and the JGI Community
Science Program.
NR 65
TC 3
Z9 3
U1 2
U2 21
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 OCT
PY 2015
VL 197
IS 19
BP 3160
EP 3172
DI 10.1128/JB.00382-15
PG 13
WC Microbiology
SC Microbiology
GA CQ6KN
UT WOS:000360713300014
PM 26195598
ER
PT J
AU Nguyen-Mau, SM
Oh, SY
Schneewind, DI
Missiakas, D
Schneewind, O
AF Nguyen-Mau, Sao-Mai
Oh, So-Young
Schneewind, Daphne I.
Missiakas, Dominique
Schneewind, Olaf
TI Bacillus anthracis SlaQ Promotes S-Layer Protein Assembly
SO JOURNAL OF BACTERIOLOGY
LA English
DT Article
ID CELL-WALL POLYSACCHARIDE; ACCESSORY SEC SYSTEM; STREPTOCOCCUS-GORDONII;
CLOSTRIDIUM-DIFFICILE; ESCHERICHIA-COLI; CHAIN-LENGTH; SURFACE; DOMAIN;
SECRETION; MEMBRANE
AB Bacillus anthracis vegetative forms assemble an S-layer comprised of two S-layer proteins, Sap and EA1. A hallmark of S-layer proteins are their C-terminal crystallization domains, which assemble into a crystalline lattice once these polypeptides are deposited on the bacterial surface via association between their N-terminal S-layer homology domains and the secondary cell wall polysaccharide. Here we show that slaQ, encoding a small cytoplasmic protein conserved among pathogenic bacilli elaborating S-layers, is required for the efficient secretion and assembly of Sap and EA1. S-layer protein precursors cosediment with SlaQ, and SlaQ appears to facilitate Sap assembly. Purified SlaQ polymerizes and when mixed with purified Sap promotes the in vitro formation of tubular S-layer structures. A model is discussed whereby SlaQ, in conjunction with S-layer secretion factors SecA2 and SlaP, promotes localized secretion and S-layer assembly in B. anthracis.
IMPORTANCE
S-layer proteins are endowed with the propensity for self-assembly into crystalline arrays. Factors promoting S-layer protein assembly have heretofore not been reported. We identified Bacillus anthracis SlaQ, a small cytoplasmic protein that facilitates S-layer protein assembly in vivo and in vitro.
C1 [Nguyen-Mau, Sao-Mai; Oh, So-Young; Schneewind, Daphne I.; Missiakas, Dominique; Schneewind, Olaf] Argonne Natl Lab, Howard Taylor Ricketts Lab, Lemont, IL 60439 USA.
[Nguyen-Mau, Sao-Mai; Oh, So-Young; Schneewind, Daphne I.; Missiakas, Dominique; Schneewind, Olaf] Univ Chicago, Dept Microbiol, Chicago, IL 60637 USA.
RP Schneewind, O (reprint author), Argonne Natl Lab, Howard Taylor Ricketts Lab, Lemont, IL 60439 USA.
EM oschnee@bsd.uchicago.edu
FU National Institute of Allergy and Infectious Diseases, Infectious
Diseases Branch [AI069227]; NIH [GM007183]
FX This work was supported by a grant from the National Institute of
Allergy and Infectious Diseases, Infectious Diseases Branch (AI069227),
to O.S. S.-M. N.-M. was supported by NIH training grant GM007183
(Molecular Cell Biology).
NR 56
TC 3
Z9 3
U1 2
U2 12
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 OCT
PY 2015
VL 197
IS 19
BP 3216
EP 3227
DI 10.1128/JB.00492-15
PG 12
WC Microbiology
SC Microbiology
GA CQ6KN
UT WOS:000360713300019
PM 26216847
ER
PT J
AU Su, HL
Li, ST
AF Su, Hongling
Li, Shengtai
TI Structure-Preserving Numerical Methods for Infinite-Dimensional
Birkhoffian Systems
SO JOURNAL OF SCIENTIFIC COMPUTING
LA English
DT Article
DE Structure-preserving method; Infinite-dimensional Birkhoffian formalism;
Symplectic scheme; Generating functional method; Conservation law
ID HAMILTONIAN WAVE-EQUATIONS; MULTISYMPLECTIC GEOMETRY;
GENERATING-FUNCTIONS; JACOBI EQUATIONS; PDES; INTEGRATORS; SCHEMES
AB A universal infinite-dimensional Birkhoffian formalism for system of partial differential equations (PDEs) including non-conservative cases is introduced as a generalization of infinite-dimensional Hamiltonian system. A class of generalized Hamilton-Jacobi equation for functionals is investigated to construct a kind of generating functional which is connected to solution of PDEs in Birkhoffian formalism. It is a new extension for generalizing the generating function method for finite-dimensional systems to generating functional method for infinite-dimensional systems. Based on the theory of generating functional, a way to construct structure-preserving schemes for Birkhoffian systems is explained. Numerical experiments are carried out on both acoustic wave and transverse-electric wave propagations with dissipations. The numerical results show that the proposed structure-preserving schemes developed by generating functionals have a clear superiority over symplectic or/and multi-symplectic schemes for long term computation. Moreover, the proposed S4 scheme preserves globally the Poynting's energy on the electromagnetic fields in the perfectly matched layer medium.
C1 [Su, Hongling] Renmin Univ China, Dept Math, Beijing 100872, Peoples R China.
[Li, Shengtai] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA.
RP Su, HL (reprint author), Renmin Univ China, Dept Math, Beijing 100872, Peoples R China.
EM hongling_su@ruc.edu.cn
OI Li, Shengtai/0000-0002-4142-3080
FU NNSFC [10701081, 11071251]
FX Project 10701081 and 11071251 supported by the NNSFC.
NR 24
TC 1
Z9 1
U1 1
U2 10
PU SPRINGER/PLENUM PUBLISHERS
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0885-7474
EI 1573-7691
J9 J SCI COMPUT
JI J. Sci. Comput.
PD OCT
PY 2015
VL 65
IS 1
BP 196
EP 223
DI 10.1007/s10915-014-9958-2
PG 28
WC Mathematics, Applied
SC Mathematics
GA CR0LC
UT WOS:000361009100008
ER
PT J
AU Albareti, FD
Comparat, J
Gutierrez, CM
Prada, F
Paris, I
Schlegel, D
Lopez-Corredoira, M
Schneider, DP
Manchado, A
Garcia-Hernandez, DA
Petitjean, P
Ge, J
AF Albareti, Franco D.
Comparat, Johan
Gutierrez, Carlos M.
Prada, Francisco
Paris, Isabelle
Schlegel, David
Lopez-Corredoira, Martin
Schneider, Donald P.
Manchado, Arturo
Garcia-Hernandez, D. A.
Petitjean, Patrick
Ge, Jian
TI Constraint on the time variation of the fine-structure constant with the
SDSS-III/BOSS DR12 quasar sample
SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
LA English
DT Article
DE line: profiles; surveys; quasars: emission lines; cosmology:
observations; large-scale structure of Universe
ID DIGITAL SKY SURVEY; OSCILLATION SPECTROSCOPIC SURVEY; TESTING
FUNDAMENTAL PHYSICS; UVES LARGE PROGRAM; 7TH DATA RELEASE; O-III;
SPECTRUM; COSMOLOGY; NEBULAE; ALPHA
AB From the Sloan Digital Sky Survey (SDSS) Data Release 12, which covers the full Baryonic Oscillation Spectroscopic Survey (BOSS) footprint, we investigate the possible variation of the fine-structure constant over cosmological time-scales. We analyse the largest quasar sample considered so far in the literature, which contains 13 175 spectra (10 363 from SDSS-III/BOSS DR12 + 2812 from SDSS-II DR7) with redshift z < 1. We apply the emission-line method on the [O III] doublet (lambda lambda 4960, 5008 angstrom) and obtain Delta alpha/alpha = (0.9 +/- 1.8) x 10(-5) for the relative variation of the fine-structure constant. We also investigate the possible sources of systematics: misidentification of the lines, sky OH lines, H beta and broad line contamination, Gaussian and Voigt fitting profiles, optimal wavelength range for the Gaussian fits, chosen polynomial order for the continuum spectrum, signal-to-noise ratio and good quality of the fits. The uncertainty of the measurement is dominated by the sky subtraction. The results presented in this work, being systematics limited, have sufficient statistics to constrain robustly the variation of the fine-structure constant in redshift bins (Delta z approximate to 0.06) over the last 7.9 Gyr. In addition, we study the [Ne III] doublet (lambda lambda 3869, 3968 angstrom) present in 462 quasar spectra and discuss the systematic effects on using these emission lines to constrain the fine-structure constant variation. Better constraints on Delta alpha/alpha (< 10(-6)) using the emission-line method would be possible with high-resolution spectroscopy and large galaxy/qso surveys.
C1 [Albareti, Franco D.; Comparat, Johan; Prada, Francisco] Univ Autonoma Madrid, Inst Fis Teor UAM CSIC, E-28049 Madrid, Spain.
[Gutierrez, Carlos M.; Lopez-Corredoira, Martin; Manchado, Arturo; Garcia-Hernandez, D. A.] IAC, E-38205 Tenerife, Spain.
[Gutierrez, Carlos M.; Lopez-Corredoira, Martin; Manchado, Arturo; Garcia-Hernandez, D. A.] Univ La Laguna, Dept Astrofis, E-38206 Tenerife, Spain.
[Prada, Francisco] UAM CSIC, E-28049 Madrid, Spain.
[Prada, Francisco] Inst Astrofisi Andalucia CSIC, Glorieta Astron, E-18080 Granada, Spain.
[Paris, Isabelle] INAF, Osservatorio Astron Trieste, I-34131 Trieste, Italy.
[Schlegel, David] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Schneider, Donald P.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA.
[Schneider, Donald P.] Penn State Univ, Inst Gravitat & Cosmos, University Pk, PA 16802 USA.
[Petitjean, Patrick] UPMC, CNRS, UMR7095, Inst Astrophys Paris, F-75014 Paris, France.
[Ge, Jian] Univ Florida, Dept Astron, Gainesville, FL 32611 USA.
RP Albareti, FD (reprint author), Univ Autonoma Madrid, Inst Fis Teor UAM CSIC, E-28049 Madrid, Spain.
EM franco.albareti@uam.es
FU Spanish MICINNs Consolider-Ingenio Programme [MultiDark CSD2009-00064];
MINECO Centro de Excelencia Severo Ochoa Programme [SEV-2012-0249];
MINECO [AYA-2012-31101, AYA2014-60641-C2-1-P]; 'la Caixa'-Severo Ochoa
doctoral fellowship; UAM+CSIC Campus of International Excellence;
Instituto de Astrofisica de Canarias; Spanish Ministry of Economy and
Competitiveness (MINECO) [AYA-2011-27754]; Alfred P. Sloan Foundation;
National Science Foundation; U.S. Department of Energy Office of
Science; University of Arizona; Brazilian Participation Group;
Brookhaven National Laboratory; University of Cambridge; Carnegie Mellon
University; University of Florida; French Participation Group; German
Participation Group; Harvard University; Michigan State/Notre Dame/JINA
Participation Group; Johns Hopkins University; Lawrence Berkeley
National Laboratory; Max Planck Institute for Astrophysics; Max Planck
Institute for Extraterrestrial Physics; New Mexico State University; New
York University; Ohio State University; Pennsylvania State University;
University of Portsmouth; Princeton University; Spanish Participation
Group; University of Tokyo; University of Utah; Vanderbilt University;
University of Virginia; University of Washington; Yale University
FX FDA, JC and FP acknowledge support from the Spanish MICINNs
Consolider-Ingenio 2010 Programme under grant MultiDark CSD2009-00064,
MINECO Centro de Excelencia Severo Ochoa Programme under grant
SEV-2012-0249 and MINECO grants AYA-2012-31101 and AYA2014-60641-C2-1-P.
FDA also acknowledges financial support from 'la Caixa'-Severo Ochoa
doctoral fellowship, UAM+CSIC Campus of International Excellence and
Instituto de Astrofisica de Canarias for a summer stay where this work
began. AM and DAGH acknowledge support provided by the Spanish Ministry
of Economy and Competitiveness (MINECO) under grant AYA-2011-27754.;
Funding for SDSS-III has been provided by the Alfred P. Sloan
Foundation, the Participating Institutions, the National Science
Foundation, and the U.S. Department of Energy Office of Science. The
SDSS-III web site is http://www.sdss3.org/.; SDSS-III is managed by the
Astrophysical Research Consortium for the Participating Institutions of
the SDSS-III Collaboration including the University of Arizona, the
Brazilian Participation Group, Brookhaven National Laboratory,
University of Cambridge, Carnegie Mellon University, University of
Florida, the French Participation Group, the German Participation Group,
Harvard University, the Instituto de Astrofisica de Canarias, the
Michigan State/Notre Dame/JINA Participation Group, Johns Hopkins
University, Lawrence Berkeley National Laboratory, Max Planck Institute
for Astrophysics, Max Planck Institute for Extraterrestrial Physics, New
Mexico State University, New York University, Ohio State University,
Pennsylvania State University, University of Portsmouth, Princeton
University, the Spanish Participation Group, University of Tokyo,
University of Utah, Vanderbilt University, University of Virginia,
University of Washington and Yale University.
NR 44
TC 2
Z9 2
U1 1
U2 2
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 OCT 1
PY 2015
VL 452
IS 4
BP 4153
EP 4168
DI 10.1093/mnras/stv1406
PG 16
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA CQ8MO
UT WOS:000360862100060
ER
PT J
AU Mohanty, S
Majumdar, S
AF Mohanty, Subhasish
Majumdar, Saurindranath
TI Finite element based stress analysis of graphite component in high
temperature gas cooled reactor core using linear and nonlinear
irradiation creep models
SO NUCLEAR ENGINEERING AND DESIGN
LA English
DT Article
ID NUCLEAR GRAPHITE; PREDICTION; BEHAVIOR
AB Irradiation creep plays a major role in the structural integrity of the graphite components in high temperature gas cooled reactors. Finite element procedures combined with a suitable irradiation creep model can be used to simulate the time-integrated structural integrity of complex shapes, such as the reactor core graphite reflector and fuel bricks. In the present work a comparative study was undertaken to understand the effect of linear and nonlinear irradiation creep on results of finite element based stress analysis. Numerical results were generated through finite element simulations of a typical graphite reflector. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Mohanty, Subhasish; Majumdar, Saurindranath] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Mohanty, S (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM smohanty@anl.gov
FU U.S. Nuclear Regulatory Commission (U.S. NRC) [V6218, FY2011]
FX The work was partly supported by the U.S. Nuclear Regulatory Commission
(U.S. NRC) under contract NRC Job Code V6218 during FY2011. The views
expressed in this paper are not necessarily those of the U.S. Nuclear
Regulatory Commission.
NR 23
TC 1
Z9 1
U1 3
U2 11
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 OCT
PY 2015
VL 292
BP 32
EP 38
DI 10.1016/j.nucengdes.2015.05.016
PG 7
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR2GT
UT WOS:000361145300003
ER
PT J
AU Israelsson, N
Unocic, KA
Hellstrom, K
Svensson, JE
Johansson, LG
AF Israelsson, N.
Unocic, K. A.
Hellstrom, K.
Svensson, J. -E.
Johansson, L. -G.
TI Cyclic Corrosion and Chlorination of an FeCrAl Alloy in the Presence of
KCl
SO OXIDATION OF METALS
LA English
DT Article
DE FeCrAl; Pre-oxidation; High temperature corrosion; Water vapour; KCl
ID HIGH-TEMPERATURE CORROSION; INITIAL-STAGES; DEGREES-C; SUPERHEATER
MATERIALS; OXIDE SCALES; OXIDATION; BIOMASS; STEELS; 600-DEGREES-C;
DEPOSITS
AB The KCl-induced corrosion of the FeCrAl alloy Kanthal (R) APMT in an O-2 + N-2 + H2O environment was studied at 600 degrees C. The samples were pre-oxidized prior to exposure in order to investigate the protective nature of alumina scales in the present environment. The microstructure and composition of the corroded surface was investigated in detail. Corrosion started at flaws in the pre-formed a-alumina scales, i.e. alpha-alumina was protective in itself. Consequently, KCl-induced corrosion started locally and, subsequently, spread laterally. An electrochemical mechanism is proposed here by which a transition metal chloride forms in the alloy and K2CrO4 forms at the scale/gas interface. Scale de-cohesion is attributed to the formation of a sub-scale transition metal chloride.
C1 [Israelsson, N.; Hellstrom, K.; Svensson, J. -E.; Johansson, L. -G.] Chalmers, Dept Energy & Mat, Swedish Competence Ctr High Temp Corros, S-41296 Gothenburg, Sweden.
[Unocic, K. A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RP Israelsson, N (reprint author), Chalmers, Dept Energy & Mat, Swedish Competence Ctr High Temp Corros, S-41296 Gothenburg, Sweden.
EM niklas.israelsson@chalmers.se
FU Center for Nanophase Materials Sciences (CNMS) - Scientific User
Facilities Division, Office of Basic Energy Sciences, U.S. Department of
Energy
FX TEM research was supported by the 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.
The authors would like to thank D.W. Coffey for assistance with sample
preparations.
NR 36
TC 0
Z9 0
U1 3
U2 17
PU SPRINGER/PLENUM PUBLISHERS
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0030-770X
EI 1573-4889
J9 OXID MET
JI Oxid. Met.
PD OCT
PY 2015
VL 84
IS 3-4
BP 269
EP 290
DI 10.1007/s11085-015-9554-3
PG 22
WC Metallurgy & Metallurgical Engineering
SC Metallurgy & Metallurgical Engineering
GA CQ8VG
UT WOS:000360887100004
ER
PT J
AU Lutz, BS
Holcomb, GR
Meier, GH
AF Lutz, B. S.
Holcomb, G. R.
Meier, G. H.
TI Determination of the Initiation and Propagation Mechanism of Fireside
Corrosion
SO OXIDATION OF METALS
LA English
DT Article
DE Fireside corrosion; Hot corrosion; Coal-fired boilers
ID HOT CORROSION; SODIUM-SULFATE; ALLOYS; DISSOLUTION
AB A variety of deposit compositions were examined in short-term laboratory tests with the aim of determining the corrosion mechanisms of fireside corrosion for a range of chromia-forming alloys in various combustion systems. The deposits formed in boilers are complex, and despite decades of study, the propagation mechanism of fireside corrosion is not well understood. Alkali iron trisulfates, which are stabilized by SO3 in the gas atmosphere, have been cited to be the major corrosive species for many years. The propagation mechanism for fireside corrosion was investigated using T92 (a typical ferritic boiler steel) and a model austenitic Fe-Ni-Cr alloy in contact with synthetic coal ash deposits. The metal loss, corrosion product morphologies, and compositions were carefully characterized to define a propagation mechanism. The corrosive species responsible for degradation was a (Na,K)(2)SO4-Fe-2(SO4)(3) solution and not alkali iron trisulfates. The formation of the liquid deposit is similar to Type II hot corrosion of components in gas turbine engines. The mechanism is a synergistic dissolution process, where simultaneous basic and acidic dissolution of protective Cr2O3 and Fe2O3 disrupts protective oxide formation and locally produces negative solubility gradients at the oxide/salt interface. The dissolved Fe2O3 and Cr2O3 precipitate where there is lower solubility, creating the observed corrosion products. The effect of the deposit composition was examined with respect to the proposed fireside corrosion mechanism. These measurements were found to be consistent with the proposed mechanism based on synergistic fluxing.
C1 [Lutz, B. S.; Meier, G. H.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA.
[Holcomb, G. R.] Natl Energy Technol Lab, Albany, OR 97321 USA.
RP Meier, GH (reprint author), Univ Pittsburgh, Dept Mech Engn & Mat Sci, Benedum Engn Hall, Pittsburgh, PA 15261 USA.
EM ghmeier@pitt.edu
FU National Energy Technology Laboratory's ongoing research on Advanced
Combustion under RUA [URS-168]
FX This work at University of Pittsburgh was performed in support of the
National Energy Technology Laboratory's ongoing research on Advanced
Combustion under RUA Contract URS-168.
NR 22
TC 1
Z9 1
U1 3
U2 14
PU SPRINGER/PLENUM PUBLISHERS
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0030-770X
EI 1573-4889
J9 OXID MET
JI Oxid. Met.
PD OCT
PY 2015
VL 84
IS 3-4
BP 353
EP 381
DI 10.1007/s11085-015-9559-y
PG 29
WC Metallurgy & Metallurgical Engineering
SC Metallurgy & Metallurgical Engineering
GA CQ8VG
UT WOS:000360887100009
ER
PT J
AU Pronskikh, V
AF Pronskikh, Vitaly
TI Shifting Standards: Experiments in Particle Physics in the Twentieth
Century
SO PHILOSOPHY OF SCIENCE
LA English
DT Book Review
C1 [Pronskikh, Vitaly] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Pronskikh, V (reprint author), Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
NR 1
TC 0
Z9 0
U1 3
U2 3
PU UNIV CHICAGO PRESS
PI CHICAGO
PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA
SN 0031-8248
EI 1539-767X
J9 PHILOS SCI
JI Philos. Sci.
PD OCT
PY 2015
VL 82
IS 4
BP 727
EP 730
DI 10.1086/682990
PG 4
WC History & Philosophy Of Science
SC History & Philosophy of Science
GA CR2VA
UT WOS:000361187600011
ER
PT J
AU Wu, HH
Shabala, L
Zhou, MX
Stefano, G
Pandolfi, C
Mancuso, S
Shabala, S
AF Wu, Honghong
Shabala, Lana
Zhou, Meixue
Stefano, Giovanni
Pandolfi, Camilla
Mancuso, Stefano
Shabala, Sergey
TI Developing and validating a high-throughput assay for salinity tissue
tolerance in wheat and barley
SO PLANTA
LA English
DT Article
DE Barley; Chlorophyll content; Excised leaf; Tissue tolerance; Vacuolar
Na+ sequestration; Wheat; Triticum aestivum; Triticum turgidum ssp
durum; Hordeum vulgare
ID VACUOLAR NA+/H+ ANTIPORTER; ABIOTIC STRESS TOLERANCE; IMPROVES SALT
TOLERANCE; ROOT PLASMA-MEMBRANE; LEAF MESOPHYLL; CHENOPODIUM-QUINOA;
K+/NA+ HOMEOSTASIS; OXIDATIVE STRESS; RETAIN POTASSIUM; IONIC RELATIONS
AB Leaf tissue tolerance was strongly and positively correlated with overall salt tolerance in barley, but not in wheat where the inability of sensitive varieties to exclude Na (+) is compensated by their better ability to handle Na (+) accumulated in the shoot via tissue tolerance mechanisms.
A new high-throughput assay was developed to use the excised leaves to eliminate the confounding contribution of sodium exclusion mechanisms and evaluate genetic variability in salinity tissue tolerance in a large number of wheat (Triticum aestivum and Triticum turgidum ssp. durum) and barley (Hordeum vulgare) accessions. The changes in relative chlorophyll content (measured as chlorophyll content index, CCI) in excised leaves exposed to 50 mM NaCl for 48 h were found to be a reliable indicator of leaf tissue tolerance. In both wheat and barley, relative CCI correlated strongly with the overall plant salinity tolerance (evaluated in glasshouse experiments). To a large extent, this tissue tolerance was related to more efficient vacuolar Na+ sequestration in leaf mesophyll, as revealed by fluorescent Na+ dye imaging experiments. However, while in barley this correlation was positive, tissue tolerance in wheat correlated negatively with overall salinity tolerance. As a result, more salt-sensitive durum wheat genotypes possessed higher tissue tolerance than bread wheat plants, and this negative correlation was present within each of bread and durum wheat clusters as well. Overall, these results indicate that the lack of effective Na+ exclusion ability in sensitive wheat varieties is compensated by their better ability to handle Na+ accumulated in the shoot via tissue tolerance mechanisms. Implications of these findings for plant breeding for salinity tolerance are discussed.
C1 [Wu, Honghong; Shabala, Lana; Zhou, Meixue; Shabala, Sergey] Univ Tasmania, Sch Land & Food, Hobart, Tas 7001, Australia.
[Stefano, Giovanni] Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA.
[Pandolfi, Camilla; Mancuso, Stefano] Univ Florence, Dept Hort, I-50019 Sesto Fiorentino, Italy.
RP Shabala, S (reprint author), Univ Tasmania, Sch Land & Food, Private Bag 54, Hobart, Tas 7001, Australia.
EM Sergey.Shabala@utas.edu.au
RI Wu, Honghong/J-5074-2016; STEFANO, GIOVANNI/A-8264-2011; Mancuso,
Stefano/G-6515-2012
OI Wu, Honghong/0000-0001-6629-0280; STEFANO, GIOVANNI/0000-0002-2744-0052;
Mancuso, Stefano/0000-0003-1752-3986
FU Grain Research and Development Corporation grants; Australian Research
Council
FX We thank Ms Min Zhu for providing help in damage index scoring in the
glasshouse experiment. This work was supported by the Grain Research and
Development Corporation grants to SS and MZ and by the Australian
Research Council Discovery grant to SS.
NR 64
TC 4
Z9 4
U1 3
U2 48
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0032-0935
EI 1432-2048
J9 PLANTA
JI Planta
PD OCT
PY 2015
VL 242
IS 4
BP 847
EP 857
DI 10.1007/s00425-015-2317-1
PG 11
WC Plant Sciences
SC Plant Sciences
GA CQ8WC
UT WOS:000360889600006
PM 25991439
ER
PT J
AU Bonneville, A
Heggy, E
Strickland, C
Normand, J
Dermond, J
Fang, YL
Sullivan, C
AF Bonneville, Alain
Heggy, Essam
Strickland, Christopher
Normand, Jonathan
Dermond, Jeffrey
Fang, Yilin
Sullivan, Charlotte
TI Geophysical Monitoring of Ground Surface Deformation Associated with a
Confined Aquifer Storage and Recovery Operation
SO WATER RESOURCES MANAGEMENT
LA English
DT Article
DE Water storage; CO2 storage; Ground deformation; INSAR; GPS; Gravity;
ASR; Aquifer storage and recovery
ID RADAR INTERFEROMETRY; FIELD; STRAIN; WATER
AB One important issue in the storage of large volumes of fluids, mainly water and CO2, in the deep subsurface is to determine the resulting field-scale-induced displacements and consequences of overpressures on the mechanical integrity of the storage reservoir and surroundings. A quantifiable estimation of displacement can be made by combining the robust, cost-effective, and repeatable geophysical techniques of micro-gravimetry, differential global positioning system (DGPS), and differential synthetic aperture radar interferometry (DInSAR). These techniques were field tested and evaluated for the first time on an active large-volume aquifer storage and recovery (ASR) project in Pendleton, Oregon, USA, where three ASR wells are injecting up to 1.9 million m(3) year(-1) into basalt aquifers to a depth of about 150 m. Injection and recovery of water at the wells are accompanied by significant gravity anomalies and vertical deformation of the ground surface localized to the immediate surroundings of the injection wells as evidenced by DGPS and gravity measurements collected in 2011. At a larger scale, and between 2011 and 2013, DInSAR monitoring of the Pendleton area shows sub-centimetric deformation in the western part of the city and close to the injection locations associated with ASR cycle. Deformations are found to be temporally out phased with the injection and recovery events due to complex groundwater flow. A numerical simulation of the effect of the water injection gives results in good agreement with the observations and confirms the validity of the approach, which could be deployed in similar geological contexts to look at the mechanical effects of water and gas injections.
C1 [Bonneville, Alain; Strickland, Christopher; Dermond, Jeffrey; Fang, Yilin; Sullivan, Charlotte] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Heggy, Essam; Normand, Jonathan] CALTECH, Jet Prop Lab, Pasadena, CA USA.
RP Bonneville, A (reprint author), Pacific NW Natl Lab, MSIN K6-84,POB 999, Richland, WA 99352 USA.
EM alain.bonneville@pnnl.gov
OI Bonneville, Alain/0000-0003-1527-1578
FU U.S. Department of Energy (US DOE) [DE-FC26-04NT42262]
FX This work was carried out within the Zero Emissions Research Technology
Center (ZERT) funded by the U.S. Department of Energy (US DOE), under
Award No. DE-FC26-04NT42262.
NR 38
TC 3
Z9 3
U1 1
U2 20
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0920-4741
EI 1573-1650
J9 WATER RESOUR MANAG
JI Water Resour. Manag.
PD OCT
PY 2015
VL 29
IS 13
BP 4667
EP 4682
DI 10.1007/s11269-015-1083-y
PG 16
WC Engineering, Civil; Water Resources
SC Engineering; Water Resources
GA CQ7UT
UT WOS:000360811200006
ER
PT J
AU Balashov, VN
Guthrie, GD
Lopano, CL
Hakala, JA
Brantley, SL
AF Balashov, Victor N.
Guthrie, George D.
Lopano, Christina L.
Hakala, J. Alexandra
Brantley, Susan L.
TI Reaction and diffusion at the reservoir/shale interface during CO2
storage: Impact of geochemical kinetics
SO APPLIED GEOCHEMISTRY
LA English
DT Article
ID DISSOLUTION KINETICS; CHLORITE DISSOLUTION; FREE-ENERGY; FLUID-FLOW; PH
8.8; SURFACE; MODEL; RATES; WATER; ROCK
AB We use a reactive diffusion model to investigate what happens to CO2 injected into a subsurface sandstone reservoir capped by a chlorite-and illite-containing shale seal. The calculations simulate reaction and transport of supercritical (SC) CO2 at 348.15 K and 30 MPa up to 20,000 a. Given the low shale porosity (5%), chemical reactions mostly occurred in the sandstone for the first 2000 a with some precipitation at the ss/sh interface. From 2000 to 4000 a, ankerite, dolomite and illite began replacing Mg-Fe chlorite at the sandstone/shale interface. Transformation of chlorite to ankerite is the dominant reaction occluding the shale porosity in most simulations: from 4000 to 7500 a, this carbonation seals the reservoir and terminates reaction. Overall, the carbonates (calcite, ankerite, dolomite), chlorite and goethite all remain close to local chemical equilibrium with brine. Quartz is almost inert from the point of its dissolution/precipitation. However, the rate of quartz reaction controls the long-term decline in aqueous silica activity and its evolution toward equilibrium. The reactions of feldspars and clays depend strongly on their reaction rate constants (microcline is closer to local equilibrium than albite). The timing of porosity occlusion mostly therefore depends on the kinetic constants of kaolinite and illite. For example, an increase in the kaolinite kinetic constant by 0.25 logarithmic units hastened porosity closure by 4300 a. The earliest simulated closure of porosity occurred at approximately 108 a for simulations designed as sensitivity tests for the rate constants.
These simulations also emphasize that the rate of CO2 immobilization as aqueous bicarbonate (solubility trapping) or as carbonate minerals (mineral trapping) in sandstone reservoirs depends upon reaction kinetics - but the relative fraction of each trapped CO2 species only depends upon the initial chemical composition of the host sandstone. For example, at the point of porosity occlusion the fraction of bicarbonate remaining in solution depends upon the initial Na and K content in the host rock but the fraction of carbonate mineralization depends only on the Ca, Mg, Fe content. Since ankerite is the dominant mineral that occludes porosity, the dissolved concentration of ferrous iron is also an important parameter. Future efforts should focus on cross-comparisons and ground-truthing of simulations made for standard case studies as well as laboratory measurements of the reactivities of clay minerals. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Balashov, Victor N.; Brantley, Susan L.] Penn State Univ, Earth & Environm Syst Inst, University Pk, PA 16802 USA.
[Guthrie, George D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Lopano, Christina L.; Hakala, J. Alexandra] US DOE, Natl Energy & Technol Lab, Pittsburgh, PA 15236 USA.
RP Balashov, VN (reprint author), Penn State Univ, Earth & Environm Syst Inst, 2217 EES Bldg, University Pk, PA 16802 USA.
EM vnb1@psu.edu
FU National Energy Technology Laboratory under RES [DE_FE0004000]
FX This effort was performed in support of the National Energy Technology
Laboratory's ongoing research in Carbon Storage under RES contract
DE_FE0004000 to SLB. We are grateful to Don Rimstidt and an anonymous
reviewer for their useful comments and suggestions to improve the
manuscript.
NR 77
TC 4
Z9 4
U1 5
U2 50
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 OCT
PY 2015
VL 61
BP 119
EP 131
DI 10.1016/j.apgeochem.2015.05.013
PG 13
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA CQ5OG
UT WOS:000360654200011
ER
PT J
AU Vignal, P
Dalcin, L
Brown, DL
Collier, N
Calo, VM
AF Vignal, P.
Dalcin, L.
Brown, D. L.
Collier, N.
Calo, V. M.
TI An energy-stable convex splitting for the phase-field crystal equation
SO COMPUTERS & STRUCTURES
LA English
DT Article
DE Phase-field crystal; PetIGA; B-spline basis functions; Mixed
formulation; Isogeometric analysis; Provably-stable time integration
ID ISOGEOMETRIC FINITE-ELEMENTS; DIRECT SOLVERS; MODEL; PERFORMANCE;
GROWTH; CONTINUITY; SCHEME; COST
AB The phase-field crystal equation, a parabolic, sixth-order and nonlinear partial differential equation, has generated considerable interest as a possible solution to problems arising in molecular dynamics. Nonetheless, solving this equation is not a trivial task, as energy dissipation and mass conservation need to be verified for the numerical solution to be valid. This work addresses these issues, and proposes a novel algorithm that guarantees mass conservation, unconditional energy stability and second-order accuracy in time. Numerical results validating our proofs are presented, and two and three dimensional simulations involving crystal growth are shown, highlighting the robustness of the method. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Vignal, P.; Dalcin, L.; Brown, D. L.; Calo, V. M.] King Abdullah Univ Sci & Technol, Ctr Numer Porous Media NumPor, Thuwal, Saudi Arabia.
[Vignal, P.] King Abdullah Univ Sci & Technol, MSE, Thuwal, Saudi Arabia.
[Dalcin, L.] Consejo Nacl Invest Cient & Tecn, Santa Fe, Argentina.
[Calo, V. M.] King Abdullah Univ Sci & Technol, AMCS, Earth Sci & Engn ErSE, Thuwal, Saudi Arabia.
[Collier, N.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN USA.
RP Vignal, P (reprint author), King Abdullah Univ Sci & Technol, Ctr Numer Porous Media NumPor, Thuwal, Saudi Arabia.
EM philippe.vignal@kaust.edu.sa
OI Dalcin, Lisandro/0000-0001-8086-0155; Vignal,
Philippe/0000-0001-5300-6930
FU Center for Numerical Porous Media (NumPor) at King Abdullah University
of Science and Technology (KAUST)
FX This work was supported by the Center for Numerical Porous Media
(NumPor) at King Abdullah University of Science and Technology (KAUST).
NR 50
TC 5
Z9 5
U1 1
U2 4
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0045-7949
EI 1879-2243
J9 COMPUT STRUCT
JI Comput. Struct.
PD OCT 1
PY 2015
VL 158
BP 355
EP 368
DI 10.1016/j.compstruc.2015.05.029
PG 14
WC Computer Science, Interdisciplinary Applications; Engineering, Civil
SC Computer Science; Engineering
GA CQ3PC
UT WOS:000360513700025
ER
PT J
AU Tuberville, TD
Andrews, KM
Sperry, JH
Grosse, AM
AF Tuberville, Tracey D.
Andrews, Kimberly M.
Sperry, Jinelle H.
Grosse, Andrew M.
TI Use of the NatureServe Climate Change Vulnerability Index as an
Assessment Tool for Reptiles and Amphibians: Lessons Learned
SO ENVIRONMENTAL MANAGEMENT
LA English
DT Article
DE Climate change; Vulnerability assessments; Reptiles; Amphibians; Sand
Hills ecoregion
ID ISOLATED WETLANDS; COASTAL-PLAIN; UNITED-STATES; ECTOTHERMS; DIVERSITY;
RICHNESS; HOTSPOT; RISK
AB Climate change threatens biodiversity globally, yet it can be challenging to predict which species may be most vulnerable. Given the scope of the problem, it is imperative to rapidly assess vulnerability and identify actions to decrease risk. Although a variety of tools have been developed to assess climate change vulnerability, few have been evaluated with regard to their suitability for certain taxonomic groups. Due to their ectothermic physiology, low vagility, and strong association with temporary wetlands, reptiles and amphibians may be particularly vulnerable relative to other groups. Here, we evaluate use of the NatureServe Climate Change Vulnerability Index (CCVI) to assess a large suite of herpetofauna from the Sand Hills Ecoregion of the southeastern United States. Although data were frequently lacking for certain variables (e.g., phenological response to climate change, genetic variation), sufficient data were available to evaluate all 117 species. Sensitivity analyses indicated that results were highly dependent on size of assessment area and climate scenario selection. In addition, several ecological traits common in, but relatively unique to, herpetofauna are likely to contribute to their vulnerability and need special consideration during the scoring process. Despite some limitations, the NatureServe CCVI was a useful tool for screening large numbers of reptile and amphibian species. We provide general recommendations as to how the CCVI tool's application to herpetofauna can be improved through more specific guidance to the user regarding how to incorporate unique physiological and behavioral traits into scoring existing sensitivity factors and through modification to the assessment tool itself.
C1 [Tuberville, Tracey D.; Andrews, Kimberly M.; Grosse, Andrew M.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA.
[Andrews, Kimberly M.] Georgia Sea Turtle Ctr, Jekyll Isl Author, Jekyll Isl, GA 31527 USA.
[Sperry, Jinelle H.] Engn Res & Dev Ctr, Champaign, IL 61826 USA.
[Sperry, Jinelle H.] Univ Illinois, Dept Nat Resources & Environm Sci, Urbana, IL 61801 USA.
[Grosse, Andrew M.] Marine Resources Res Inst, South Carolina Dept Nat Resources, Charleston, SC 29412 USA.
RP Tuberville, TD (reprint author), Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA.
EM tubervil@uga.edu
FU U.S. Army Construction Engineering Research Laboratory
[W9132T-11-2-0009]; Department of Energy to the University of Georgia
Research Foundation [DE-FC09-07SR22506]
FX We would like to thank James Westervelt and Tim Hayden for their
guidance throughout the project. Discussions with Bruce Young provided
the impetus to develop this manuscript. We thank Bess Harris for
assistance with the supplemental scoring and Alex Fillak for assistance
with the climate scenario sensitivity analysis. Funding was provided by
Award #W9132T-11-2-0009 from the U.S. Army Construction Engineering
Research Laboratory and Award #DE-FC09-07SR22506 from Department of
Energy to the University of Georgia Research Foundation.
NR 67
TC 1
Z9 1
U1 8
U2 57
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0364-152X
EI 1432-1009
J9 ENVIRON MANAGE
JI Environ. Manage.
PD OCT
PY 2015
VL 56
IS 4
BP 822
EP 834
DI 10.1007/s00267-015-0537-6
PG 13
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA CQ6GR
UT WOS:000360703100004
PM 25971738
ER
PT J
AU Yu, HF
Xie, JR
Ma, KL
Kolla, H
Chen, JH
AF Yu, Hongfeng
Xie, Jinrong
Ma, Kwan-Liu
Kolla, Hemanth
Chen, Jacqueline H.
TI Scalable Parallel Distance Field Construction for Large-Scale
Applications
SO IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
LA English
DT Article
DE Distance field; in-situ processing; parallel algorithms; scalability;
spatial data structures; scientific simulations; geometric modeling;
large-scale scientific data analytics and visualization
ID TRANSFORM; ALGORITHMS; QUADTREES
AB Computing distance fields is fundamental to many scientific and engineering applications. Distance fields can be used to direct analysis and reduce data. In this paper, we present a highly scalable method for computing 3D distance fields on massively parallel distributed-memory machines. A new distributed spatial data structure, named parallel distance tree, is introduced to manage the level sets of data and facilitate surface tracking over time, resulting in significantly reduced computation and communication costs for calculating the distance to the surface of interest from any spatial locations. Our method supports several data types and distance metrics from real-world applications. We demonstrate its efficiency and scalability on state-of-the-art supercomputers using both large-scale volume datasets and surface models. We also demonstrate in-situ distance field computation on dynamic turbulent flame surfaces for a petascale combustion simulation. Our work greatly extends the usability of distance fields for demanding applications.
C1 [Yu, Hongfeng] Univ Nebraska, Lincoln, NE 68588 USA.
[Xie, Jinrong; Ma, Kwan-Liu] Univ Calif Davis, Davis, CA 95616 USA.
[Kolla, Hemanth; Chen, Jacqueline H.] Sandia Natl Labs, Albuquerque, NM 87123 USA.
RP Yu, HF (reprint author), Univ Nebraska, Comp Sci & Engn, Lincoln, NE 68588 USA.
EM yu@cse.unl.edu; jrxie@ucdavis.edu; klma@ucdavis.edu; hnkolla@sandia.gov;
jhchen@sandia.gov
FU National Science Foundation [IIS-1320229, CCF-1025269, IIS-1423487];
Department of Energy [DE-FC02-06ER25777, DE-FC02-12ER26072]; ExaCT
Center for Exascale Simulation of Combustion in Turbulence
FX This work has been sponsored in part by the National Science Foundation
through grants IIS-1320229, CCF-1025269, and IIS-1423487, the Department
of Energy through grants DE-FC02-06ER25777 and DE-FC02-12ER26072 with
program managers Lucy Nowell and Ceren Susut-Bennett, and the ExaCT
Center for Exascale Simulation of Combustion in Turbulence. H. Yu is the
corresponding author of the article.
NR 40
TC 2
Z9 2
U1 0
U2 4
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1077-2626
EI 1941-0506
J9 IEEE T VIS COMPUT GR
JI IEEE Trans. Vis. Comput. Graph.
PD OCT
PY 2015
VL 21
IS 10
BP 1187
EP 1200
DI 10.1109/TVCG.2015.2417572
PG 14
WC Computer Science, Software Engineering
SC Computer Science
GA CQ8GH
UT WOS:000360844100009
PM 26357251
ER
PT J
AU Lim, H
Hale, LM
Zimmerman, JA
Battaile, CC
Weinberger, CR
AF Lim, H.
Hale, L. M.
Zimmerman, J. A.
Battaile, C. C.
Weinberger, C. R.
TI A multi-scale model of dislocation plasticity in alpha-Fe: Incorporating
temperature, strain rate and non-Schmid effects
SO INTERNATIONAL JOURNAL OF PLASTICITY
LA English
DT Article
DE Crystal plasticity; Atomistics; Finite elements
ID CENTERED-CUBIC METALS; IRON SINGLE-CRYSTALS; POLYCRYSTALLINE MICRO
STRUCTURES; ACTIVATED SLIP DEFORMATION; MINIMUM ENERGY PATHS; ELASTIC
BAND METHOD; FLOW-STRESS; SCREW DISLOCATIONS; CORE-STRUCTURE;
CRYSTALLOGRAPHIC TEXTURE
AB In this work, we develop an atomistically informed crystal plasticity finite element (CP-FE) model for body-centered-cubic (BCC) alpha-Fe that incorporates non-Schmid stress dependent slip with temperature and strain rate effects. Based on recent insights obtained from atomistic simulations, we propose a new 'Constitutive model that combines a generalized non-Schmid yield law with aspects from a line tension (LT) model for describing activation enthalpy required for the motion of dislocation kinks. Atomistic calculations are conducted to quantify the non-Schmid effects while both experimental data and atomistic simulations are used to assess the temperature and strain rate effects. The parameterized constitutive equation is implemented into a BCC CP-FE model to simulate plastic deformation of single and polycrystalline Fe which is compared with experimental data from the literature. This direct comparison demonstrates that the atomistically informed model accurately captures the effects of crystal orientation, temperature and strain rate on the flow behavior of siangle crystal Fe. Furthermore, our proposed CP-FE model exhibits temperature and strain rate dependent flow and yield surfaces in polycrystalline Fe that deviate from conventional CP-FE models based on Schmid's law. (C) 2014 Elsevier Ltd. All rights reserved.
C1 [Lim, H.; Battaile, C. C.] Sandia Natl Labs, Dept Computat Mat & Data Sci, Albuquerque, NM 87185 USA.
[Hale, L. M.] NIST, Thermodynam & Kinet Grp, Gaithersburg, MD 20899 USA.
[Zimmerman, J. A.] Sandia Natl Labs, Dept Mech Mat, Livermore, CA 94551 USA.
[Weinberger, C. R.] Drexel Univ, Dept Mech Engn & Mech, Philadelphia, PA 19104 USA.
RP Lim, H (reprint author), Sandia Natl Labs, Dept Computat Mat & Data Sci, POB 5800, Albuquerque, NM 87185 USA.
EM hnlim@sandia.gov
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX Sandia National Laboratories is a multi-program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration under contract DE-AC04-94AL85000.
NR 77
TC 6
Z9 6
U1 6
U2 42
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0749-6419
EI 1879-2154
J9 INT J PLASTICITY
JI Int. J. Plast.
PD OCT
PY 2015
VL 73
SI SI
BP 100
EP 118
DI 10.1016/j.ijplas.2014.12.005
PG 19
WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics
SC Engineering; Materials Science; Mechanics
GA CQ7HR
UT WOS:000360774100006
ER
PT J
AU Wen, W
Borodachenkova, M
Tome, CN
Vincze, G
Rauch, EF
Barlat, F
Gracio, JJ
AF Wen, W.
Borodachenkova, M.
Tome, C. N.
Vincze, G.
Rauch, E. F.
Barlat, F.
Gracio, J. J.
TI Mechanical behavior of Mg subjected to strain path changes: Experiments
and modeling
SO INTERNATIONAL JOURNAL OF PLASTICITY
LA English
DT Article
DE Constitutive behaviour; Microstructures; Strain path change;
Polycrystalline material; Mechanical testing
ID MAGNESIUM ALLOY AZ31B; HARDENING BEHAVIOR; TEXTURE EVOLUTION; HEXAGONAL
MATERIALS; CYCLIC DEFORMATION; ZIRCONIUM ALLOYS; PURE MAGNESIUM;
POLYCRYSTALS; PLASTICITY; TENSILE
AB Two-step tension tests with reloads along different directions are performed on rolled Mg alloy sheet at room temperature. The experimental yield stress at reloading is systematically lower than before unloading. Such a behavior is captured by a microstructure-based hardening model accounting for dislocation reversibility and back-stress. This formulation, embedded in the Visco-Plastic Self-Consistent (VPSC) model, links the dislocation density evolution throughout the deformation with hardening. The predicted results agree well with the experimental data in terms of flow stress response and texture evolution. The effects of texture anisotropy and back-stress on the mechanical response during the strain path change are discussed. (C) 2014 Elsevier Ltd. All rights reserved.
C1 [Wen, W.; Borodachenkova, M.; Vincze, G.; Barlat, F.; Gracio, J. J.] Univ Aveiro, Dept Mech Engn, Ctr Mech Technol & Automat, P-3810193 Aveiro, Portugal.
[Tome, C. N.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
[Rauch, E. F.] INPG UJF, CNRS, UMR 5266, Sci & Ingn Mat & Proc, F-38402 St Martin Dheres, France.
[Barlat, F.] Pohang Univ Sci & Technol POSTECH, GIFT, Pohang 790784, Gyeongbuk, South Korea.
RP Borodachenkova, M (reprint author), Univ Aveiro, Dept Mech Engn, Ctr Mech Technol & Automat, P-3810193 Aveiro, Portugal.
EM mborodachenkova@ua.pt
RI RAUCH, Edgar/C-9852-2011; Group, GAME/B-3464-2014; Vincze,
Gabriela/D-2383-2013
OI Vincze, Gabriela/0000-0002-0338-3911
FU US Department of Energy, Office of Basic Energy Science, Division of
Materials Science and Engineering [FWP 06SCPE401DOE-BES]; Portuguese
Foundation of Science and Technology [PTDC/EME-TME/105688/2008,
PEST-C/EME/UI0481/2011, PEST-C/EME/UI0481/2013]
FX CT acknowledges support from US Department of Energy, Office of Basic
Energy Science, Division of Materials Science and Engineering, Project
FWP 06SCPE401DOE-BES. WW, MB, JG and FB, acknowledge the financial
support of Portuguese Foundation of Science and Technology projects
PTDC/EME-TME/105688/2008, PEST-C/EME/UI0481/2011 and
PEST-C/EME/UI0481/2013.
NR 53
TC 7
Z9 7
U1 3
U2 23
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0749-6419
EI 1879-2154
J9 INT J PLASTICITY
JI Int. J. Plast.
PD OCT
PY 2015
VL 73
SI SI
BP 171
EP 183
DI 10.1016/j.ijplas.2014.10.009
PG 13
WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics
SC Engineering; Materials Science; Mechanics
GA CQ7HR
UT WOS:000360774100009
ER
PT J
AU Vianco, PT
Neilsen, MK
Rejent, JA
Grant, RP
AF Vianco, P. T.
Neilsen, M. K.
Rejent, J. A.
Grant, R. P.
TI Validation of the Dynamic Recrystallization (DRX) Mechanism for Whisker
and Hillock Growth on Sn Thin Films
SO JOURNAL OF ELECTRONIC MATERIALS
LA English
DT Article
DE Sn whiskers; hillocks; depleted zones; dynamic recrystallization (DRX)
ID GRAIN-BOUNDARY; STRESS; COPPER; RELAXATION; SOLDER; DAMAGE; CREEP;
MODEL; CU
AB A study was performed to validate a first-principles model for whisker and hillock formation based on the cyclic dynamic recrystallization (DRX) mechanism in conjunction with long-range diffusion. The test specimens were evaporated Sn films on Si having thicknesses of 0.25 mu m, 0.50 mu m, 1.0 mu m, 2.0 mu m, and 4.9 mu m. Air annealing was performed at 35A degrees C, 60A degrees C, 100A degrees C, 120A degrees C, or 150A degrees C over a time duration of 9 days. The stresses, anelastic strains, and strain rates in the Sn films were predicted by a computational model based upon the constitutive properties of 95.5Sn-3.9Ag-0.6Cu (wt.%) as a surrogate for pure Sn. The cyclic DRX mechanism and, in particular, whether long whiskers or hillocks were formed, was validated by comparing the empirical data against the three hierarchal requirements: (1) DRX to occur at all: epsilon(c) = A D (o) (m) Z (n) , (2) DRX to be cyclic: D (o) < 2D (r), and (3) Grain boundary pinning (thin films): h versus d. Continuous DRX took place in the 2.0-mu m and 4.9-mu m films that resulted in short stubby whiskers. Depleted zones, which resulted solely from a tensile stress-driven diffusion mechanism, confirmed the pervasiveness of long-range diffusion so that it did not control whisker or hillock formation other than a small loss of activity by reduced thermal activation at lower temperatures. A first-principles DRX model paves the way to develop like mitigation strategies against long whisker growth.
C1 [Vianco, P. T.; Neilsen, M. K.; Rejent, J. A.; Grant, R. P.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Vianco, PT (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM ptvianc@sandia.gov
FU United States Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]
FX The authors wish to thank Mark Grazier for his development of the test
fixtures and Lisa Lowery for the FIB cross-sections as well as Don Susan
and Pylin Sarobol for their thorough reviews of this manuscript. 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 31
TC 3
Z9 3
U1 2
U2 12
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0361-5235
EI 1543-186X
J9 J ELECTRON MATER
JI J. Electron. Mater.
PD OCT
PY 2015
VL 44
IS 10
BP 4012
EP 4034
DI 10.1007/s11664-015-3779-4
PG 23
WC Engineering, Electrical & Electronic; Materials Science,
Multidisciplinary; Physics, Applied
SC Engineering; Materials Science; Physics
GA CQ5VD
UT WOS:000360672900108
ER
PT J
AU Busch, S
Miles, PC
AF Busch, Stephen
Miles, Paul C.
TI Parametric Study of Injection Rates With Solenoid Injectors in an
Injection Quantity and Rate Measuring Device
SO JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THE
ASME
LA English
DT Article
AB A Moehwald HDA (HDA is a German acronym: Hydraulischer Druckanstieg: hydraulic pressure increase) injection quantity and rate measuring unit is used to investigate injection rates obtained with a fast-acting, preproduction diesel solenoid injector. Experimental parametric variations are performed to determine their impact on measured injection rate traces. A pilot-main injection strategy is investigated for various dwell times; these preproduction injectors can operate with very short dwell times with distinct pilot and main injection events. Dwell influences the main injection rate shape. A comparison between a diesel-like fuel and a gasoline-like fuel shows that injection rates are comparable for a single injection but dramatically different for multiple injections with short dwells.
C1 [Busch, Stephen; Miles, Paul C.] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Busch, S (reprint author), Sandia Natl Labs, POB 969,MS 9053, Livermore, CA 94551 USA.
EM sbusch@sandia.gov; pcmiles@sandia.gov
FU United States Department of Energy (Office of Vehicle Technologies);
General Motors Corporation [FI083070326]; [DE-AC04-94AL85000]
FX Support for this work was provided by the United States Department of
Energy (Office of Vehicle Technologies) and by General Motors
Corporation (Agreement No. FI083070326). This work was performed at the
Combustion Research Facility of Sandia National Laboratories in
Livermore, California. 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 No. DE-AC04-94AL85000.
NR 15
TC 0
Z9 0
U1 1
U2 1
PU ASME
PI NEW YORK
PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA
SN 0742-4795
EI 1528-8919
J9 J ENG GAS TURB POWER
JI J. Eng. Gas. Turbines Power-Trans. ASME
PD OCT
PY 2015
VL 137
IS 10
AR 101503
DI 10.1115/1.4030095
PG 9
WC Engineering, Mechanical
SC Engineering
GA CQ3YZ
UT WOS:000360542100004
ER
PT J
AU Yu, L
Zhou, Z
Wallace, S
Papka, ME
Lan, ZL
AF Yu, Li
Zhou, Zhou
Wallace, Sean
Papka, Michael E.
Lan, Zhiling
TI Quantitative modeling of power performance tradeoffs on extreme scale
systems
SO JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING
LA English
DT Article
DE High performance computing; Power performance analysis; Colored Petri
net; Extreme scale systems; Power capping
ID MANAGEMENT
AB As high performance computing (HPC) cOntinues to grow in scale and complexity, energy becomes a critical constraint in the race to exascale computing. The days of "performance at all cost" are coming to an end. While performance is still a major objective, future HPC will have to deliver desired performance under the energy constraint. Among various power management methods, power capping is a widely used approach. Unfortunately, the impact of power capping on system performance, user jobs, and power-performance efficiency are not well studied due to many interfering factors imposed by system workload and configurations. To fully understand power management in extreme scale systems with a fixed power budget, we introduce a power-performance modeling tool named PUPPET (Power Performance PETri net). Unlike the traditional performance modeling approaches such as analytical methods or trace-based simulators, we explore a new approach - colored Petri nets - for the design of PUPPET. PuPPET is fast and extensible for navigating through different configurations. More importantly, it can scale to hundreds of thousands of processor cores and at the same time provide high levels of modeling accuracy. We validate PuPPET by using system traces (i.e., workload log and power data) collected from the production 48-rack IBM Blue Gene/Q supercomputer at Argonne National Laboratory. Our trace-based validation demonstrates that PUPPET is capable of modeling the dynamic execution of parallel jobs on the machine by providing an accurate approximation of energy consumption. In addition, we present two case studies of using PuPPET to study power-performance tradeoffs on petascale systems. (C) 2015 Elsevier Inc. All rights reserved.
C1 [Yu, Li; Zhou, Zhou; Wallace, Sean; Lan, Zhiling] IIT, Chicago, IL 60616 USA.
[Papka, Michael E.] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Lan, ZL (reprint author), IIT, Chicago, IL 60616 USA.
EM lyu17@hawk.iit.edu; zzhou1@hawk.iit.edu; swallac6@hawk.iit.edu;
papka@anl.gov; lan@iit.edu
FU US National Science Foundation [CNS-1320125, CCF-1422009]; Office of
Science of the US Department of Energy [DE-AC02-06CH11357]
FX This work was supported in part by the US National Science Foundation
grants CNS-1320125 and CCF-1422009. The research used resources of the
Argonne Leadership Computing Facility at Argonne National Laboratory
which was supported by the Office of Science of the US Department of
Energy under contract DE-AC02-06CH11357.
NR 48
TC 0
Z9 0
U1 3
U2 6
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0743-7315
EI 1096-0848
J9 J PARALLEL DISTR COM
JI J. Parallel Distrib. Comput.
PD OCT
PY 2015
VL 84
BP 1
EP 14
DI 10.1016/j.jpdc.2015.06.006
PG 14
WC Computer Science, Theory & Methods
SC Computer Science
GA CQ7JC
UT WOS:000360777800001
ER
PT J
AU Zhu, XK
Lam, PS
AF Zhu, Xian-Kui
Lam, Poh-Sang
TI Deformation Versus Modified J-Integral Resistance Curves for Ductile
Materials
SO JOURNAL OF PRESSURE VESSEL TECHNOLOGY-TRANSACTIONS OF THE ASME
LA English
DT Article
DE J-integral; modified J-integral; J-R curve; J(m)-R curve; experimental
estimation; fracture toughness; fracture test; ASTM E1820
ID J-R CURVES; MECHANICAL-PROPERTIES; STEEL; SPECIMEN; TANKS
AB The J-integral resistance curve (or J-R curve) is an important fracture property of materials and has gained broad applications in assessing the fracture behavior of structural components. Because the J-integral concept was proposed based on the deformation theory of plasticity, the J-R curve is a deformation-based result. It has been known that the J-R curves of a material depend on specimen size and geometry; therefore, a modified J-integral or J(m) was proposed to minimize the size dependence. Extensive experiments have shown that the J(m)-R curves might remain size-dependent and could not behave better than the traditional deformation J-R curves. To date, however, it is noticed that the J(m)-R curves were still used as "size-independent" results in some fracture mechanics analyses. It is necessary to revisit this topic for further clarification. This paper presents a brief review on the development of deformation and modified J-integral testing, and obtains a simple incremental J(m)-integral equation. It is followed by typical experimental results with discussions on the issues of constraint or size dependence of J-R and J(m)-R curves for different steels and specimens. Finally, a recommendation is made on properly selecting a resistance curve in the fracture analysis.
C1 [Zhu, Xian-Kui] EWI, Columbus, OH 43221 USA.
[Lam, Poh-Sang] Savannah River Natl Lab, Mat Sci & Technol, Aiken, SC 29808 USA.
RP Zhu, XK (reprint author), EWI, 1250 Arthur E Adams, Columbus, OH 43221 USA.
EM xzhu@ewi.org; ps.lam@srnl.doe.gov
NR 44
TC 3
Z9 3
U1 3
U2 9
PU ASME
PI NEW YORK
PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA
SN 0094-9930
EI 1528-8978
J9 J PRESS VESS-T ASME
JI J. Press. Vessel Technol.-Trans. ASME
PD OCT
PY 2015
VL 137
IS 5
AR 051407
DI 10.1115/1.4030593
PG 8
WC Engineering, Mechanical
SC Engineering
GA CQ4RC
UT WOS:000360591300017
ER
PT J
AU Xiong, KC
Liu, W
Teat, SJ
An, LT
Wang, H
Emge, TJ
Li, J
AF Xiong, Kecai
Liu, Wei
Teat, Simon J.
An, Litao
Wang, Hao
Emge, Thomas J.
Li, Jing
TI New hybrid lead iodides: From one-dimensional chain to two-dimensional
layered perovskite structure
SO JOURNAL OF SOLID STATE CHEMISTRY
LA English
DT Article
DE Inorganic-organic hybrid semiconductor; Lead halide; Crystal structure;
Amidine; Band gap
ID INORGANIC-ORGANIC HYBRID; WHITE-LIGHT; SOLAR-CELLS; 3D NETWORK; 1D
CHAIN; SEMICONDUCTORS; TIN; EMISSION; BEHAVIOR; CATIONS
AB Two new hybrid lead halides (H(2)BDA)[PbI4] (1) (H(2)BDA=1,4-butanediammonium dication) and (HNPEIM)[PbI3] (2) (HNPEIM=N-phenyl-ethanimidamidine cation) have been synthesized and structurally characterized. X-ray diffraction analyses reveal that compound 1 features a two-dimensional corner-sharing perovskite layer whereas compound 2 contains one-dimensional edge-sharing double chains. The N-phenyl-ethanimidamidine cation within compound 2 was generated in-situ under solvothermal conditions. The optical absorption spectra collected at room temperature suggest that both compounds are semiconductors having direct band gaps, with estimated values of 2.64 and 2.73 eV for 1 and 2, respectively. Results from the density functional theory (DFT) calculations are consistent with the experimental data. Density of states (DOS) analysis reveals that in both compounds I and 2, the energy states in the valence band maximum region are iodine 5p atomic orbitals with a small contribution from lead 6s, while in the region of conduction band minimum, the major contributions are from the inorganic (Pb 6p atomic orbitals) and organic components (C and N 2p atomic orbitals) in compound 1 and 2, respectively. (C) 2015 Elsevier Inc. All rights reserved.
C1 [Xiong, Kecai; Liu, Wei; An, Litao; Wang, Hao; Emge, Thomas J.; Li, Jing] Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ 08854 USA.
[Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Li, J (reprint author), Rutgers State Univ, Dept Chem & Chem Biol, 610 Taylor Rd, Piscataway, NJ 08854 USA.
EM jingli@rutgers.edu
FU National Science Foundation [DMR-1206700, DMR-1507210]; Office of
Science, Office of Basic Energy Sciences, of the U.S. Department of
Energy [DE-AC02-05CH11231]
FX We are grateful to the financial support from the National Science
Foundation (DMR-1206700 and DMR-1507210). 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 34
TC 4
Z9 4
U1 14
U2 163
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0022-4596
EI 1095-726X
J9 J SOLID STATE CHEM
JI J. Solid State Chem.
PD OCT
PY 2015
VL 230
BP 143
EP 148
DI 10.1016/j.jssc.2015.07.004
PG 6
WC Chemistry, Inorganic & Nuclear; Chemistry, Physical
SC Chemistry
GA CQ3QC
UT WOS:000360516600021
ER
PT J
AU Rempfler, M
Schneider, M
Ielacqua, GD
Xiao, XH
Stock, SR
Klohs, J
Szekely, G
Andres, B
Menze, BH
AF Rempfler, Markus
Schneider, Matthias
Ielacqua, Giovanna D.
Xiao, Xianghui
Stock, Stuart R.
Klohs, Jan
Szekely, Gabor
Andres, Bjoern
Menze, Bjoern H.
TI Reconstructing cerebrovascular networks under local physiological
constraints by integer programming
SO MEDICAL IMAGE ANALYSIS
LA English
DT Article
DE Vascular network extraction; Vessel segmentation; Vessel tracking;
Cerebrovascular networks; Integer programming
ID CENTERLINE EXTRACTION; VESSEL; MICROVASCULATURE; SEGMENTATION;
ALGORITHMS; MODELS; MOTIFS; IMAGES
AB We introduce a probabilistic approach to vessel network extraction that enforces physiological constraints on the vessel structure. The method accounts for both image evidence and geometric relationships between vessels by solving an integer program, which is shown to yield the maximum a posteriori (MAP) estimate to a probabilistic model. Starting from an overconnected network, it is pruning vessel stumps and spurious connections by evaluating the local geometry and the global connectivity of the graph. We utilize a high-resolution micro computed tomography (mu CT) dataset of a cerebrovascular corrosion cast to obtain a reference network and learn the prior distributions of our probabilistic model and we perform experiments on in-vivo magnetic resonance microangiography (mu MRA) images of mouse brains. We finally discuss properties of the networks obtained under different tracking and pruning approaches. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Rempfler, Markus; Menze, Bjoern H.] Tech Univ Munich, Dept Comp Sci, D-80290 Munich, Germany.
[Rempfler, Markus; Schneider, Matthias; Szekely, Gabor] Swiss Fed Inst Technol, Comp Vis Lab, Zurich, Switzerland.
[Schneider, Matthias] Univ Zurich, Inst Pharmacol & Toxicol, CH-8006 Zurich, Switzerland.
[Ielacqua, Giovanna D.; Klohs, Jan] Univ & ETH Zurich, Inst Biomed Engn, Zurich, Switzerland.
[Xiao, Xianghui] Argonne Natl Lab, Adv Photon Source, Lemont, IL USA.
[Stock, Stuart R.] Northwestern Univ, Feinberg Sch Med, Chicago, IL 60611 USA.
[Andres, Bjoern] Max Planck Inst Informat, D-66123 Saarbrucken, Germany.
[Menze, Bjoern H.] Tech Univ Munich, Inst Adv Studies, D-80290 Munich, Germany.
RP Rempfler, M (reprint author), IMETUM, Boltzmannstr 11, D-85748 Garching, Germany.
EM markurem@vision.ee.ethz.ch
RI Klohs, Jan/K-2142-2016
OI Klohs, Jan/0000-0003-4065-2807
FU Technische Universitat Munchen - Institute for Advanced Study (German
Excellence Initiative); Technische Universitat Munchen - Institute for
Advanced Study (European Union) [291763]; EMDO foundation; Swiss
National Science Foundation [136822]; Swiss National Center of
Competence in Research on Computer Aided and Image Guided Medical
Interventions (NCCR Co-Me) - Swiss National Science Foundation; US
Department of Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-06CH11357]
FX This research was supported by the Technische Universitat Munchen -
Institute for Advanced Study (funded by the German Excellence Initiative
and the European Union Seventh Framework Programme under grant agreement
n 291763, the Marie Curie CO-FUND program of the European Union), by
grants from the EMDO foundation, Swiss National Science Foundation grant
136822, and the Swiss National Center of Competence in Research on
Computer Aided and Image Guided Medical Interventions (NCCR Co-Me)
supported by the Swiss National Science Foundation. 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 29
TC 1
Z9 1
U1 1
U2 7
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1361-8415
EI 1361-8423
J9 MED IMAGE ANAL
JI Med. Image Anal.
PD OCT
PY 2015
VL 25
IS 1
BP 86
EP 94
DI 10.1016/j.media.2015.03.008
PG 9
WC Computer Science, Artificial Intelligence; Computer Science,
Interdisciplinary Applications; Engineering, Biomedical; Radiology,
Nuclear Medicine & Medical Imaging
SC Computer Science; Engineering; Radiology, Nuclear Medicine & Medical
Imaging
GA CQ8NJ
UT WOS:000360864700009
PM 25977158
ER
PT J
AU Thadhani, N
Gray, GT
AF Thadhani, Naresh
III, George T. (Rusty) Gray
TI Symposium on "Dynamic Behavior of Materials: VI'' in Honor of Professor
Marc Andre Meyers TMS Annual Meeting, San Diego, 2014 Foreword
SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND
MATERIALS SCIENCE
LA English
DT Editorial Material
C1 [Thadhani, Naresh] Georgia Inst Technol, Atlanta, GA 30332 USA.
[III, George T. (Rusty) Gray] Los Alamos Natl Lab, Los Alamos, NM USA.
RP Thadhani, N (reprint author), Georgia Inst Technol, Atlanta, GA 30332 USA.
EM naresh.thadhani@mse.gatech.edu
NR 0
TC 0
Z9 0
U1 3
U2 3
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 OCT
PY 2015
VL 46A
IS 10
BP 4436
EP 4437
DI 10.1007/s11661-015-2993-2
PG 2
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CQ4EX
UT WOS:000360558200003
ER
PT J
AU Krishnan, K
Brown, A
Wayne, L
Vo, J
Opie, S
Lim, H
Peralta, P
Luo, SN
Byler, D
McClellan, KJ
Koskelo, A
Dickerson, R
AF Krishnan, Kapil
Brown, Andrew
Wayne, Leda
Vo, Johnathan
Opie, Saul
Lim, Harn
Peralta, Pedro
Luo, Sheng-Nian
Byler, Darrin
McClellan, Kenneth J.
Koskelo, Aaron
Dickerson, Robert
TI Three-Dimensional Characterization and Modeling of Microstructural Weak
Links for Spall Damage in FCC Metals
SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND
MATERIALS SCIENCE
LA English
DT Article; Proceedings Paper
CT 6th Dynamic Behavior of Materials
CY FEB 17-20, 2014
CL San Diego, CA
SP TMS ASM Mech Behav Mat Comm
ID CRYSTAL PLASTICITY; VOID NUCLEATION; DYNAMIC DAMAGE; CONSTITUTIVE
RELATIONS; SINGLE-CRYSTALS; DEFORMATION; COPPER; BEHAVIOR; FRACTURE;
GROWTH
AB Local microstructural weak links for spall damage were investigated using three-dimensional (3-D) characterization in multicrystalline copper samples (grain size a parts per thousand 450 A mu m) shocked with laser-driven plates at low pressures (2 to 4 GPa). The thickness of samples and flyer plates, approximately 1000 and 500 A mu m respectively, led to short pressure pulses that allowed isolating microstructure effects on local damage characteristics. Electron Backscattering Diffraction and optical microscopy were used to relate the presence, size, and shape of porosity to local microstructure. The experiments were complemented with 3-D finite element simulations of individual grain boundaries (GBs) that resulted in large damage volumes using crystal plasticity coupled with a void nucleation and growth model. Results from analysis of these damage sites show that the presence of a GB-affected zone, where strain concentration occurs next to a GB, correlates strongly with damage localization at these sites, most likely due to the inability of maintaining strain compatibility across these interfaces, with additional effects due to the inclination of the GB with respect to the shock. Results indicate that strain compatibility plays an important role on intergranular spall damage in metallic materials.
C1 [Krishnan, Kapil; Brown, Andrew; Wayne, Leda; Vo, Johnathan; Opie, Saul; Lim, Harn; Peralta, Pedro] Arizona State Univ, Sch Engn Matter Transport & Energy, Tempe, AZ 85287 USA.
[Luo, Sheng-Nian] Peac Inst Multiscale Sci, Chengdu, Peoples R China.
[Byler, Darrin; McClellan, Kenneth J.; Koskelo, Aaron; Dickerson, Robert] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM pperalta@asu.edu
RI Luo, Sheng-Nian /D-2257-2010;
OI Luo, Sheng-Nian /0000-0002-7538-0541; Brown, Andrew/0000-0001-7965-9294
FU LANL under the Laboratory Directed Research and Development (LDRD)
program [20060021DR]; Department of Energy, National Nuclear Security
Administration (NNSA) [DE-FG52-06NA26169, DE-FG52-10NA29653,
DE-NA0002005]
FX This work was funded by LANL under the Laboratory Directed Research and
Development (LDRD) program, award # 20060021DR, and by the Department of
Energy, National Nuclear Security Administration (NNSA), under Grants #
DE-FG52-06NA26169, DE-FG52-10NA29653, and DE-NA0002005. Eric Loomis, Pat
Dickerson (LANL), Damian Swift (LLNL), David Wright, Karl Weiss, and
Dallas Kingsbury (ASU) are thanked for their help during research work.
Access to TRIDENT and the Electron Microscopy Lab at LANL, and the
Center for High Resolution Electron Microscopy at ASU is gratefully
acknowledged.
NR 50
TC 1
Z9 1
U1 3
U2 13
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 OCT
PY 2015
VL 46A
IS 10
BP 4527
EP 4538
DI 10.1007/s11661-014-2667-5
PG 12
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CQ4EX
UT WOS:000360558200014
ER
PT J
AU Brown, AD
Wayne, L
Pham, Q
Krishnan, K
Peralta, P
Luo, SN
Patterson, BM
Greenfield, S
Byler, D
McClellan, KJ
Koskelo, A
Dickerson, R
Xiao, XH
AF Brown, Andrew David
Wayne, Leda
Quan Pham
Krishnan, Kapil
Peralta, Pedro
Luo, Sheng-Nian
Patterson, Brian M.
Greenfield, Scott
Byler, Darrin
McClellan, Kenneth J.
Koskelo, Aaron
Dickerson, Rob
Xiao, Xianghui
TI Microstructural Effects on Damage Nucleation in Shock-Loaded
Polycrystalline Copper
SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND
MATERIALS SCIENCE
LA English
DT Article; Proceedings Paper
CT 6th Dynamic Behavior of Materials
CY FEB 17-20, 2014
CL San Diego, CA
SP TMS ASM Mech Behav Mat Comm
ID GRAIN-BOUNDARIES; SPALL DAMAGE; STATISTICS; SIMULATION; STRENGTH;
TANTALUM; FRACTURE; FAILURE; LENGTH
AB Polycrystalline copper samples with varying thermomechanical histories were shock loaded to induce spall via laser-driven plate impacts at low shock stress (< 6 GPa). Electron backscattering diffraction was used to obtain statistics on grain boundary (GB) misorientations within the spall plane and at all GBs that contained damage. Specimens with pre-existing plastic deformation showed dominant intergranular damage at boundaries in the 25 to 50 deg misorientation range, while heat-treated samples had mixed trans- and intergranular damage with a lessened misorientation influence at damaged GBs. 3-D X-ray tomography data were used to analyze global volume statistics and qualitatively inspect the shape of voids present in samples of varying thermomechanical histories. It was found that annealed samples had a mixed mode of spherical- and sheet-like voids, indicative of trans- and intergranular damage, respectively, and the microstructure with the highest number of I 3 pound twin boundaries had the highest concentration of spherical voids. Data from a plastically pre-strained sample showed a dominance of needle- and sheet-like voids, indicating primarily intergranular damage due to the higher strength of the bulk material forcing the damage to nucleate at weaker defects, in this case GBs.
C1 [Brown, Andrew David; Wayne, Leda; Quan Pham; Krishnan, Kapil; Peralta, Pedro] Arizona State Univ, Ira A Fulton Sch Engn, Tempe, AZ 85287 USA.
[Luo, Sheng-Nian] Peac Inst Multiscale Sci, Chengdu, Peoples R China.
[Patterson, Brian M.; Greenfield, Scott; Byler, Darrin; McClellan, Kenneth J.; Koskelo, Aaron; Dickerson, Rob] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Xiao, Xianghui] Argonne Natl Lab, Argonne, IL 60439 USA.
EM adbrown8@asu.edu
RI Luo, Sheng-Nian /D-2257-2010;
OI Luo, Sheng-Nian /0000-0002-7538-0541; Brown, Andrew/0000-0001-7965-9294;
Patterson, Brian/0000-0001-9244-7376
FU LANL under LDRD [20060021DR]; Department of Energy; NNSA, under SSAA
[DE-FG52-06NA26169, DE-FG52-10NA29653, DE-NA000 2005]; APS General User
Proposal [35561]
FX This research work was funded by LANL under LDRD # 20060021DR, and by
the Department of Energy, NNSA, under SSAA Grants # DE-FG52-06NA26169,
DE-FG52-10NA29653., and DE-NA000 2005 and APS General User Proposal
35561. Eric Loomis, Pat Dickerson (LANL), Damian Swift (LLNL), David
Wright, and Dallas Kingsbury (ASU) are thanked for their help during the
various phases of the research work. Access to the TRIDENT Facility &
Electron Microscopy Laboratory at LANL, Pavel Shevchenko at APS 2-BM, as
well as the Center for High-Resolution Electron Microscopy and the
Mechanical Testing Laboratory at ASU is gratefully acknowledged.
NR 24
TC 3
Z9 3
U1 3
U2 13
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 OCT
PY 2015
VL 46A
IS 10
BP 4539
EP 4547
DI 10.1007/s11661-014-2482-z
PG 9
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CQ4EX
UT WOS:000360558200015
ER
PT J
AU Catalini, D
Kaoumi, D
Reynolds, AP
Grant, GJ
AF Catalini, David
Kaoumi, Djamel
Reynolds, Anthony P.
Grant, Glenn J.
TI Dispersoid Distribution and Microstructure in Fe-Cr-Al Ferritic Oxide
Dispersion-Strengthened Alloy Prepared by Friction Consolidation
SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND
MATERIALS SCIENCE
LA English
DT Article
ID FBR CORE APPLICATION; EXTRUSION PROCESS; IMPROVEMENT; EVOLUTION; STEELS
AB INCOLOYA (R) MA956 is a ferritic oxide dispersion-strengthened alloy manufactured by mechanical alloying followed by hot extrusion in vacuum-sealed cans or by degassing and hot isostatic pressing. This could be followed by a tailored heat treatment sequence in order to obtain a desired microstructure and to allow the oxide dispersion to precipitate. Three different oxides, responsible for the high-temperature mechanical strength, have been observed in this alloy: Y4Al2O9, YAlO3, and Y3Al5O12. Their sizes range from just a few to hundreds of nanometers. In this work, mechanically alloyed MA956 powder was consolidated via friction consolidation, a single-step and potentially cheaper processing alternative. Three fully dense compacts were produced. The compacts exhibited a refined, equiaxed grain structure with grain sizes smaller than 10 A mu m and the desired oxide dispersion. YAlO3 and Y3Al5O12 were identified by scanning electron microscopy, energy-dispersive X-ray spectroscopy (EDS), and X-ray diffraction. The size distribution of precipitates above 50 nm showed a direct proportionality between average precipitate size and grain size. The total energy input during processing was correlated with the relative amount of each of the oxides in the disks: the higher the total processing energy input, the higher the relative amount of Y3Al5O12 precipitates. The elemental composition of the oxide precipitates was also probed individually by EDS, showing an aluminum enrichment trend as precipitates grew in size.
C1 [Catalini, David; Grant, Glenn J.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Kaoumi, Djamel; Reynolds, Anthony P.] Univ S Carolina, Columbia, SC 29208 USA.
RP Catalini, D (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
EM kaoumi@engr.sc.edu
NR 33
TC 2
Z9 2
U1 2
U2 9
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 OCT
PY 2015
VL 46A
IS 10
BP 4730
EP 4739
DI 10.1007/s11661-015-3059-1
PG 10
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CQ4EX
UT WOS:000360558200034
ER
PT J
AU Beyerlein, IJ
Demkowicz, MJ
Misra, A
Uberuaga, BP
AF Beyerlein, I. J.
Demkowicz, M. J.
Misra, A.
Uberuaga, B. P.
TI Defect-interface interactions
SO PROGRESS IN MATERIALS SCIENCE
LA English
DT Review
DE Nanostructures; Nanocomposites; Interfaces; Atomic scale modeling;
Vacancies; Interstitials; Impurities; Dislocations; Twins; Mechanisms;
Stability
ID SEVERE PLASTIC-DEFORMATION; GRAIN-BOUNDARY STRUCTURE; TRANSMISSION
ELECTRON-MICROSCOPY; CU/NB NANOSCALE MULTILAYERS; MONTE-CARLO
SIMULATIONS; HEAVY-ION IRRADIATION; CU-NB MULTILAYERS;
MOLECULAR-DYNAMICS SIMULATION; RADIATION-INDUCED SEGREGATION; REACTOR
STRUCTURAL-MATERIALS
AB Nanostructured materials contain an extremely high density of interfaces. The properties of these materials when exposed to extreme conditions of radiation dose, stress, deformation, or temperature are largely determined by defect-interface interactions. In this article, we review the present understanding of defect-interface interactions in single-phase and two-phase metal and oxide nanocomposites, emphasizing how interface structure affects interactions with point, line, and planar defects. We also review the crystallographic, chemical, and morphological stability of interfaces in different extreme environments: irradiation and mechanical deformation. Our current understanding of these topics prompts new questions that will maintain interfaces in crystalline solids at the frontier of materials research for years to come. (C) 2015 Published by Elsevier Ltd.
C1 [Beyerlein, I. J.; Misra, A.; Uberuaga, B. P.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Demkowicz, M. J.] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA.
RP Beyerlein, IJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM Irene@lanl.gov; amitmis@umich.edu
RI Beyerlein, Irene/A-4676-2011
FU 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]
FX The authors gratefully acknowledge support 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 Award Number 2008LANL1026.
NR 473
TC 34
Z9 37
U1 36
U2 155
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0079-6425
J9 PROG MATER SCI
JI Prog. Mater. Sci.
PD OCT
PY 2015
VL 74
BP 125
EP 210
DI 10.1016/j.pmatsci.2015.02.001
PG 86
WC Materials Science, Multidisciplinary
SC Materials Science
GA CQ4SI
UT WOS:000360594500003
ER
PT J
AU Xu, W
Lai, CH
Sun, X
AF Xu, Wei
Lai, Canhai
Sun, Xin
TI Identify structural flaw location and type with an inverse a