FN Thomson Reuters Web of Science™
VR 1.0
PT S
AU Pan, YS
De Carlo, F
AF Pan, Yongsheng
De Carlo, Francesco
BE Nishikawa, RM
Whiting, BR
Hoeschen, C
TI A New Padding Scheme for Local Tomograpy in Tomographic Microscopy
SO MEDICAL IMAGING 2013: PHYSICS OF MEDICAL IMAGING
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Medical Imaging - Physics of Medical Imaging
CY FEB 11-14, 2013
CL Lake Buena Vista, FL
SP SPIE, Aeroflex Inc, Univ Cent Florida, CREOL Coll Opt & Photon, DQE Instruments Inc, Medtronic Inc, PIXELTEQ
DE Tomographic microscopy; local tomography; boundary-value padding;
zero-value padding
AB Tomographic microscopy using synchrotron radiation provides high-resolution structure details on the scale of microns. The field of view (FOV) of the microscopy system, however, is usually limited by the detector size. For example, a typical CCD camera used for data acquisition is of size 2048 by 2048. In many cases this CCD camera is not large enough to provide complete information required for accurate reconstruction, and the local tomography problem hereby arises. On the other hand, the huge dataset generated by tomographic microscopy asks for a highly efficient solution with no a priori information necessary. A new padding scheme is therefore proposed for the local tomography issue. It first pads the projection data using the boundary value inside the FOV, which is specified by the detector size, followed by a zero-value padding to 1.5 times the FOV length. The boundary-value padding removes the energy deposition and cupping artifact in reconstruction results from local tomography, while the zero-value padding reduces the drift of the intensity values caused by fully boundary padding. The combination of two padding schemes keeps advantages of fully zero-value padding and fully boundary-value padding, while avoiding their disadvantages. Quantitative analysis using synthetic data shows that the proposed method outperforms fully zero-value padding and fully boundary-value padding in terms of accuracy and ease for post processing. Experimental results for real data are also provided to demonstrate the effectiveness of the proposed method.
C1 [Pan, Yongsheng; De Carlo, Francesco] Argonne Natl Lab, Xray Sci Div, Adv Photon Source, Argonne, IL 60439 USA.
RP Pan, YS (reprint author), Argonne Natl Lab, Xray Sci Div, Adv Photon Source, 2-BM B,9700 South Cass Ave, Argonne, IL 60439 USA.
NR 2
TC 0
Z9 0
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9442-9
J9 PROC SPIE
PY 2013
VL 8668
AR 86683B
DI 10.1117/12.2001550
PG 6
WC Optics; Physics, Applied; Radiology, Nuclear Medicine & Medical Imaging
SC Optics; Physics; Radiology, Nuclear Medicine & Medical Imaging
GA BFZ77
UT WOS:000322002700112
ER
PT J
AU Wang, WC
Chen, SY
Glans, PA
Guo, JH
Chen, RJ
Fong, KW
Chen, CL
Gloter, A
Chang, CL
Chan, TS
Chen, JM
Lee, JF
Dong, CL
AF Wang, Wei-Cheng
Chen, Shih-Yun
Glans, Per-Anders
Guo, Jinghua
Chen, Ren-Jie
Fong, Kang-Wei
Chen, Chi-Liang
Gloter, Alexandre
Chang, Ching-Lin
Chan, Ting-Shan
Chen, Jin-Ming
Lee, Jyh-Fu
Dong, Chung-Li
TI Towards understanding the electronic structure of Fe-doped CeO2
nanoparticles with X-ray spectroscopy
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID ROOM-TEMPERATURE FERROMAGNETISM; CERIUM OXIDE; OXYGEN VACANCY;
OXIDATION; NANOSTRUCTURES; SEMICONDUCTORS; CHEMISTRY; STATES; MODEL
AB This study reports on the electronic structure of Fe-doped CeO2 nanoparticles (NPs), determined by coupled X-ray absorption spectroscopy and X-ray emission spectroscopy. A comparison of the local electronic structure around the Ce site with that around the Fe site indicates that the Fe substitutes for the Ce. The oxygen K-edge spectra that originated from the hybridization between cerium 4f and oxygen 2p states are sensitive to the oxidation state and depend strongly on the concentration of Fe doping. The Ce M-4,M-5-edges and the Fe L-2,L-3-edges reveal the variations of the charge states of Ce and Fe upon doping, respectively. The band gap is further obtained from the combined absorption-emission spectrum and decreased upon Fe doping, implying Fe doping introduces vacancies. The oxygen vacancies are induced by Fe doping and the spectrum reveals the charge transfer between Fe and Ce. Fe3+ doping has two major effects on the formation of ferromagnetism in CeO2 nanoparticles. The first, at an Fe content of below 5%, is that the formation of Fe3+-Vo-Ce3+ introduces oxygen deficiencies favoring ferromagnetism. The other, at an Fe content of over 5%, is the formation of Fe3+-Vo-Fe3+, which favors antiferromagnetism, reducing the Ms. The defect structures Fe3+-Vo-Ce3+ and Fe3+-Vo-Fe3+ are crucial to the magnetism in these NPs and the change in Ms can be described as the effect of competitive interactions of magnetic polarons and paired ions.
C1 [Wang, Wei-Cheng; Chang, Ching-Lin] Tamkang Univ, Dept Phys, Tamsui 25137, Taiwan.
[Wang, Wei-Cheng; Glans, Per-Anders; Guo, Jinghua] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Chen, Shih-Yun; Chen, Ren-Jie; Fong, Kang-Wei] Natl Taiwan Univ Sci & Technol, Dept Mat Sci & Engn, Taipei, Taiwan.
[Chen, Ren-Jie; Chan, Ting-Shan; Chen, Jin-Ming; Lee, Jyh-Fu; Dong, Chung-Li] Natl Synchrotron Radiat Res Ctr, Hsinchu 30076, Taiwan.
[Chen, Chi-Liang] Acad Sinica, Inst Phys, Taipei 11529, Taiwan.
[Gloter, Alexandre] Univ Paris 11, CNRS, Phys Solides Lab, UMR 8502, F-91405 Orsay, France.
RP Chang, CL (reprint author), Tamkang Univ, Dept Phys, Tamsui 25137, Taiwan.
EM clchang@mail.tku.edu.tw; dong.cl@nsrrc.org.tw
RI Glans, Per-Anders/G-8674-2016;
OI Gloter, Alexandre/0000-0002-4813-3799
FU National Science Council of Taiwan [NSC 100-2911-I-213-501-MY2, NSC
101-2112-M-213-004-MY3, NSC 100-2112-M-032-004]; Office of Science,
Office of Basic Energy Sciences, of the Department of Energy
[DE-AC02-05CH11231]
FX This work was supported by the National Science Council of Taiwan under
contracts NSC 100-2911-I-213-501-MY2 (C.L.D.), NSC
101-2112-M-213-004-MY3 (C.L.D.), and NSC 100-2112-M-032-004 (C.L.C.).
The wok at the ALS was supported by the Director, Office of Science,
Office of Basic Energy Sciences, of the Department of Energy under
Contract No. DE-AC02-05CH11231.
NR 41
TC 15
Z9 15
U1 4
U2 43
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 35
BP 14701
EP 14707
DI 10.1039/c3cp52054d
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 202EQ
UT WOS:000323196800017
PM 23900724
ER
PT J
AU Fu, Q
Yao, YX
Guo, XG
Wei, MM
Ning, YX
Liu, HY
Yang, F
Liu, Z
Bao, XH
AF Fu, Qiang
Yao, Yunxi
Guo, Xiaoguang
Wei, Mingming
Ning, Yanxiao
Liu, Hongyang
Yang, Fan
Liu, Zhi
Bao, Xinhe
TI Reversible structural transformation of FeOx nanostructures on Pt under
cycling redox conditions and its effect on oxidation catalysis
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID TEMPERATURE CO OXIDATION; OXIDE-FILMS; PHOTOELECTRON-SPECTROSCOPY;
FERROUS CENTERS; PT(111) SURFACE; IN-SITU; NANOPARTICLES; CHEMISTRY;
AU(111); GROWTH
AB Understanding dynamic changes of catalytically active nanostructures under reaction conditions is a pivotal challenge in catalysis research, which has been extensively addressed in metal nanoparticles but is less explored in supported oxide nanocatalysts. Here, structural changes of iron oxide (FeOx) nanostructures supported on Pt in a gaseous environment were examined by scanning tunneling microscopy, ambient pressure X-ray photoelectron spectroscopy, and in situ X-ray absorption spectroscopy using both model systems and real catalysts. O-Fe (FeO) bilayer nanostructures can be stabilized on Pt surfaces in reductive environments such as vacuum conditions and H-2-rich reaction gas, which are highly active for low temperature CO oxidation. In contrast, exposure to H-2-free oxidative gases produces a less active O-Fe-O (FeO2) trilayer structure. Reversible transformation between the FeO bilayer and FeO2 trilayer structures can be achieved under alternating reduction and oxidation conditions, leading to oscillation in the catalytic oxidation performance.
C1 [Fu, Qiang; Yao, Yunxi; Guo, Xiaoguang; Wei, Mingming; Ning, Yanxiao; Liu, Hongyang; Yang, Fan; Bao, Xinhe] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China.
[Liu, Hongyang] Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China.
[Liu, Zhi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Fu, Q (reprint author), Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China.
EM qfu@dicp.ac.cn; xhbao@dicp.ac.cn
RI Yao, Yunxi/F-3451-2013; li, haobo/P-5373-2014; Liu, Zhi/B-3642-2009; Fu,
Qiang/E-7109-2015; YANG, FAN/J-2706-2012
OI Yao, Yunxi/0000-0002-0814-6675; li, haobo/0000-0002-9215-3754; Liu,
Zhi/0000-0002-8973-6561; Fu, Qiang/0000-0001-5316-6758; YANG,
FAN/0000-0002-1406-9717
FU National Natural Science Foundation of China [21222305, 11079005,
20923001]; Ministry of Science and Technology of China [2011CBA00503,
2013CB933100]; Office of Science, Office of Basic Energy Sciences, of
the U.S. Department of Energy [DE-AC02-05CH11231]
FX This work was financially supported by the National Natural Science
Foundation of China (No. 21222305, 11079005, and 20923001), and Ministry
of Science and Technology of China (No. 2011CBA00503, and 2013CB933100).
We acknowledge the fruitful discussions with Prof. Ding Ma and Prof.
Weixue Li. 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 45
TC 20
Z9 20
U1 6
U2 97
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 35
BP 14708
EP 14714
DI 10.1039/c3cp52587b
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 202EQ
UT WOS:000323196800018
PM 23900259
ER
PT J
AU Pilli, SK
Janarthanan, R
Deutsch, TG
Furtak, TE
Brown, LD
Turner, JA
Herring, AM
AF Pilli, Satyananda Kishore
Janarthanan, Rajeswari
Deutsch, Todd G.
Furtak, Thomas E.
Brown, Logan D.
Turner, John A.
Herring, Andrew M.
TI Efficient photoelectrochemical water oxidation over cobalt-phosphate
(Co-Pi) catalyst modified BiVO4/1D-WO3 heterojunction electrodes
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID OXYGEN-EVOLVING CATALYST; TUNGSTEN TRIOXIDE; VISIBLE-LIGHT; ENERGY
FUTURE; SOLAR-ENERGY; HYDROGEN; WO3; FILMS; PHOTOANODES; NANORODS
AB We report the design, synthesis and photoelectrochemical characterization of cobalt phosphate (Co-Pi) oxygen evolution catalyst modified heterojunction photoelectrodes consisting of one-dimensional WO3 nanorods (1D-WO3) and highly porous BiVO4 layers. The 1D-WO3 nanorods were prepared by the decomposition of the tetrabutylammonium decatungstate precursor in the presence of poly(ethylene glycol) as a binding agent. The porous BiVO4 layers were spray deposited using a surfactant assisted metal-organic decomposition method. The Co-Pi oxygen evolution catalyst was deposited onto the BiVO4/1D-WO3/FTO heterojunction electrode using a photoassisted electrodeposition method. The Co-Pi catalyst modified heterojunction electrodes exhibited a sustained enhancement in the photocurrent compared to the unmodified BiVO4/1D-WO3/FTO heterojunction electrodes. The improved photoelectrochemical properties profited from the enhanced charge carrier separation achieved through the integration of highly porous BiVO4 layers on top of 1D-WO3 nanorods and from the superior kinetics due to the presence of the Co-Pi oxygen evolution catalyst on top of BiVO4/1D-WO3/FTO heterojunction electrodes.
C1 [Pilli, Satyananda Kishore; Janarthanan, Rajeswari; Brown, Logan D.; Herring, Andrew M.] Colorado Sch Mines, Dept Chem & Biol Engn, Golden, CO 80401 USA.
[Deutsch, Todd G.] Natl Renewable Energy Lab, Hydrogen Technol & Syst Ctr, Golden, CO 80401 USA.
[Furtak, Thomas E.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA.
[Turner, John A.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Herring, AM (reprint author), Colorado Sch Mines, Dept Chem & Biol Engn, Golden, CO 80401 USA.
EM spilli@mines.edu; aherring@mines.edu
OI Deutsch, Todd/0000-0001-6577-1226; Herring, Andrew/0000-0001-7318-5999
FU Center for Revolutionary Solar Photoconversion
FX We thank the Center for Revolutionary Solar Photoconversion for a seed
grant.
NR 40
TC 36
Z9 37
U1 9
U2 188
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 35
BP 14723
EP 14728
DI 10.1039/c3cp52401a
PG 6
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 202EQ
UT WOS:000323196800020
PM 23900229
ER
PT S
AU Benioff, P
AF Benioff, Paul
BE Donkor, E
Pirich, AR
Brandt, HE
TI Effects of gauge theory based number scaling on geometry
SO QUANTUM INFORMATION AND COMPUTATION XI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Quantum Information and Computation XI
CY MAY 02-03, 2013
CL Baltimore, MD
SP SPIE
DE Mathematics is local; Number scaling; Scalar boson field; Scaled path
lengths; Black and white scaling holes
ID COHERENT THEORY; MATHEMATICS; PHYSICS; UNIVERSE
AB Effects of local availability of mathematics (LAM) and space time dependent number scaling on physics and, especially, geometry are described. LAM assumes separate mathematical systems as structures at each space time point. Extension of gauge theories to include freedom of choice of scaling for number structures, and other structures based on numbers, results in a space time dependent scaling factor based on a scalar boson field. Scaling has no effect on comparison of experimental results with one another or with theory computations. With LAM all theory expressions are elements of mathematics at some reference point. Changing the reference point introduces (external) scaling. Theory expressions with integrals or derivatives over space or time include scaling factors (internal scaling) that cannot be removed by reference point change. Line elements and path lengths, as integrals over space and/or time, show the effect of scaling on geometry. In one example, the scaling factor goes to 0 as the time goes to 0, the big bang time. All path lengths, and values of physical quantities, are crushed to 0 as t goes to 0. Other examples have spherically symmetric scaling factors about some point, x. In one type, a black scaling hole, the scaling factor goes to infinity as the distance, d, between any point y and x goes to 0. For scaling white holes, the scaling factor goes to 0 as d goes to 0. For black scaling holes, path lengths from a reference point, z, to y become infinite as y approaches x. For white holes, path lengths approach a value much less than the unscaled distance from z to x.
C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA.
RP Benioff, P (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA.
EM pbenioff@anl.gov
NR 25
TC 0
Z9 0
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9540-2
J9 PROC SPIE
PY 2013
VL 8749
AR UNSP 87490F
DI 10.1117/12.2014360
PG 16
WC Computer Science, Interdisciplinary Applications; Optics
SC Computer Science; Optics
GA BGK64
UT WOS:000323339700009
ER
PT J
AU Dash, A
Knapp, FF
Pillai, MRA
AF Dash, Ashutosh
Knapp, F. F. (Russ), Jr.
Pillai, M. R. A.
TI Industrial radionuclide generators: a potential step towards
accelerating radiotracer investigations in industry
SO RSC ADVANCES
LA English
DT Review
ID INORGANIC-ION-EXCHANGERS; HIGH-LEVEL WASTE; AMMONIUM HETEROPOLYACID
SALTS; POSITRON-EMISSION-TOMOGRAPHY; ACIDIC NITRATE MEDIA; RADIOISOTOPE
GENERATOR; GE-68/GA-68 GENERATOR; SOLVENT-EXTRACTION; MACROCYCLIC
POLYETHERS; GE-68-GA-68 GENERATOR
AB The novel use of industrial radionuclide generators (IRG) ensures onsite availability of short-lived radionuclides and is expected to contribute significantly to industrial radiotracer investigations. While IRG technology is in its infancy, the use of generator-derived radioisotopes is expected to have broad potential impact on industrial radiotracer investigations. The optimal combination of suitable IRGs and appropriate radiotracer agents will form the basis of such industrial radiotracer investigations. Development of IRGs customized for specific applications is currently under development and the utility of such systems is expected to pave the way for a variety of industry related applications in the areas of residence time distribution (RTD) study, flow rate measurement, leak detection, etc. In this review, we discuss the principles of radionuclide generators, assess major parent/daughter pairs of interest for IRG, and identify the expected utility of potentially useful IRGs. Availability of the parent radionuclides required for IRG fabrication is an important criterion and hence their production is also reviewed. This overview outlines a critical assessment of recent developments, the contemporary status, and key challenges and apertures to the near future. Increase in the knowledge and use of IRGs utilizing available resources will encourage expanded use of these systems for expected future industrial radiotracer studies.
C1 [Dash, Ashutosh; Pillai, M. R. A.] Bhabha Atom Res Ctr, Radiopharmaceut Div, Bombay 400085, Maharashtra, India.
[Knapp, F. F. (Russ), Jr.] Oak Ridge Natl Lab, Isotope Dev Grp, Med Isotopes Program, Oak Ridge, TN 37831 USA.
RP Dash, A (reprint author), Bhabha Atom Res Ctr, Radiopharmaceut Div, Bombay 400085, Maharashtra, India.
EM adash@barc.gov.in
OI Dash, Ashutosh/0000-0001-7541-7298
FU US Department of Energy [DE-AC05-00OR22725]; UT-Battelle, LLC.
FX Research at the Bhabha Atomic Research Centre is part of the ongoing
activities of the Department of Atomic Energy, India and is fully
supported by government funding. Research at the Oak Ridge National
Laboratory is supported by the US Department of Energy under contract
DE-AC05-00OR22725 with UT-Battelle, LLC.
NR 154
TC 4
Z9 4
U1 2
U2 19
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2013
VL 3
IS 35
BP 14890
EP 14909
DI 10.1039/c3ra41639a
PG 20
WC Chemistry, Multidisciplinary
SC Chemistry
GA 201HU
UT WOS:000323132100002
ER
PT J
AU Wang, L
Fu, YB
Battaglia, VS
Liu, G
AF Wang, Lei
Fu, Yanbao
Battaglia, Vincent S.
Liu, Gao
TI SBR-PVDF based binder for the application of SLMP in graphite anodes
SO RSC ADVANCES
LA English
DT Article
ID LITHIUM-ION BATTERIES; ELECTRODES; PERFORMANCE; CELLS
AB A styrene butadiene rubber (SBR)-polyvinylidene difluoride (PVDF) based binder system has been developed for an electrochemical system that is not compatible with the conventional N-methyl pyrrolidinone (NMP) solvent used to cast most Li-ion electrode slurries. This polymer system's binding properties decouple the mechanical and ionic-transport properties. It demonstrates comparable mechanical properties to SBR-based electrodes and cell performance to traditional PVDF-based electrodes. This new binder design however enables the incorporation of stabilized lithium metal powder (SLMP) into a graphite anode to improve its first cycle coulombic efficiency.
C1 [Wang, Lei; Fu, Yanbao; Battaglia, Vincent S.; Liu, Gao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
RP Wang, L (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
EM wanglei@lbl.gov
RI Fu, Yanbao/F-9583-2011
OI Fu, Yanbao/0000-0001-7752-680X
FU Office of Vehicle Technologies of the U.S. Department of Energy as part
of the Industry-Laboratory Integrated Research Program out of the Office
of Vehicle Technologies [DE-AC03-76SF00098]
FX This research was funded by the Assistant Secretary for Energy
Efficiency, Office of Vehicle Technologies of the U.S. Department of
Energy under contract no. DE-AC03-76SF00098 as part of the
Industry-Laboratory Integrated Research Program out of the Office of
Vehicle Technologies. FMC-Lithium Inc. is a partner on this project.
NR 19
TC 16
Z9 16
U1 10
U2 62
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2013
VL 3
IS 35
BP 15022
EP 15027
DI 10.1039/c3ra42773k
PG 6
WC Chemistry, Multidisciplinary
SC Chemistry
GA 201HU
UT WOS:000323132100022
ER
PT J
AU Rosales, AM
Segalman, RA
Zuckermann, RN
AF Rosales, Adrianne M.
Segalman, Rachel A.
Zuckermann, Ronald N.
TI Polypeptoids: a model system to study the effect of monomer sequence on
polymer properties and self-assembly
SO SOFT MATTER
LA English
DT Review
ID GENETICALLY DIRECTED SYNTHESES; SELECTIVE RADICAL-ADDITION; BLOCK-RANDOM
COPOLYMERS; TO-GLOBULE TRANSITION; SOLID-PHASE SYNTHESIS; AROMATIC
SIDE-CHAINS; PEPTOID OLIGOMERS; MULTIBLOCK COPOLYMERS; PERIODIC
POLYPEPTIDES; GRADIENT COPOLYMERS
AB As the ability to control the monomer sequence of synthetic polymers increases, new relationships between sequence, polymer structure, and functional properties are being discovered. Recent advances in the sequence control of traditional copolymers, such as polyethylenes and polystyrenes, have led to well controlled primary structures ranging from periodic to more precise sequences. As a result, this unprecedented control in the chemical structure of the polymer has necessitated a reexamination of the role of monomer sequence on polymer properties, such as crystallization and self-assembly. In this review, we summarize the developments in establishing a relationship between a polymer's sequence and its properties, and we focus on one sequence-specific polymer system in particular: N-substituted glycines, or polypeptoids. Polypeptoid self-assembly has demonstrated remarkably tunable, hierarchical structures, and through this lens, we look to the future "designability" of sequence-specific polymers in general.
C1 [Rosales, Adrianne M.; Segalman, Rachel A.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA.
[Segalman, Rachel A.; Zuckermann, Ronald N.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA USA.
[Zuckermann, Ronald N.] Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA USA.
RP Rosales, AM (reprint author), Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA.
EM adrianne.rosales@gmail.com
RI Zuckermann, Ronald/A-7606-2014; Foundry, Molecular/G-9968-2014;
OI Zuckermann, Ronald/0000-0002-3055-8860; Segalman,
Rachel/0000-0002-4292-5103
FU Office of Naval Research (ONR); Molecular Foundry, a Lawrence Berkeley
National Laboratory user facility; Office of Science, Office of Basic
Energy Sciences, U.S. Department of Energy [DE-AC02-05CH11231]
FX This work was supported by the Office of Naval Research (ONR) in the
form of a Presidential Early Career Award (PECASE) in Science and
Engineering for R. A. S. This work was also supported by the Molecular
Foundry, a Lawrence Berkeley National Laboratory user facility supported
by the Office of Science, Office of Basic Energy Sciences, U.S.
Department of Energy, under Contract DE-AC02-05CH11231.
NR 150
TC 40
Z9 40
U1 9
U2 123
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1744-683X
J9 SOFT MATTER
JI Soft Matter
PY 2013
VL 9
IS 35
BP 8400
EP 8414
DI 10.1039/c3sm51421h
PG 15
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA 203DB
UT WOS:000323269400001
ER
PT J
AU Phillips, CL
Voth, GA
AF Phillips, Carolyn L.
Voth, Gregory A.
TI Discovering crystals using shape matching and machine learning
SO SOFT MATTER
LA English
DT Article
ID BINARY NANOPARTICLE SUPERLATTICES; PARTICLES; ORDER; CRYSTALLIZATION;
STATISTICS; HISTOGRAMS; NUCLEATION; DISTANCE; LATTICE; DESIGN
AB As the rate at which data can be amassed through computational simulation or experimental techniques accelerates, the pace of discovery becomes limited by the rate at which data can be analyzed. In this paper, a method is introduced by which new types of crystalline structures can be automatically identified from large data sets of coordinates. By deploying a hierarchy of pattern analysis techniques using shape matching and machine learning algorithms, local structures are extracted, classified, and then used to partition a data set into groups of common crystals. This method requires no a priori knowledge of what might be present in the data set. The method is applied to two data sets that contain both simple and complex crystals, including quasicrystals. We show how phase diagrams can be automatically generated and identify a crystal phase missed in prior analyses. By integrating shape matching and machine learning techniques to analyze rapidly produced databases, the discovery of new crystal structures and materials can be accelerated. This method is especially applicable to soft matter systems, where particle interactions can be exquisitely tuned and designed to drive the self-assembly of mesoscale materials with exotic structures.
C1 [Phillips, Carolyn L.; Voth, Gregory A.] Argonne Natl Lab, Computat Inst, Argonne, IL 60439 USA.
[Voth, Gregory A.] Univ Chicago, Dept Chem, James Franck Inst, Inst Biophys Dynam, Chicago, IL 60637 USA.
[Voth, Gregory A.] Univ Chicago, Computat Inst, Chicago, IL 60637 USA.
RP Phillips, CL (reprint author), Argonne Natl Lab, Computat Inst, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM cphillips@anl.gov
FU Office of Naval Research; U.S. Department of Energy, Office of Science
[DE-AC02-06CH11357]; Office of the Director through the Named
Postdoctoral Fellowship Program (Aneesur Rahman Postdoctoral
Fellowship), Argonne National Laboratory
FX This research was supported in part by a grant from the Office of Naval
Research and in part by the U.S. Department of Energy, Office of
Science, under Contract DE-AC02-06CH11357. C. L. P. was funded by the
Office of the Director through the Named Postdoctoral Fellowship Program
(Aneesur Rahman Postdoctoral Fellowship), Argonne National Laboratory.
We acknowledge numerous useful discussions with Michael Engel, Aaron
Keys, and Jens Kleinjung. We thank Michael Engel for providing the
Injavis so. ware package, Aaron Keys for the SMAC so. ware package, and
Jens Kleinjung for providing the OPTICS code.
NR 58
TC 9
Z9 9
U1 2
U2 18
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1744-683X
EI 1744-6848
J9 SOFT MATTER
JI Soft Matter
PY 2013
VL 9
IS 35
BP 8552
EP 8568
DI 10.1039/c3sm51449h
PG 17
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA 203DB
UT WOS:000323269400018
ER
PT J
AU Stackebrandt, E
Zeytun, A
Lapidus, A
Nolan, M
Lucas, S
Hammon, N
Deshpande, S
Cheng, JF
Tapia, R
Goodwin, LA
Pitluck, S
Liolios, K
Pagani, I
Ivanova, N
Mavromatis, K
Mikhailova, N
Huntemann, M
Pati, A
Chen, A
Palaniappan, K
Chang, YJ
Land, M
Hauser, L
Rohde, M
Pukall, R
Goker, M
Detter, JC
Woyke, T
Bristow, J
Eisen, JA
Markowitz, V
Hugenholtz, P
Kyrpides, NC
Klenk, HP
AF Stackebrandt, Erko
Zeytun, Ahmet
Lapidus, Alla
Nolan, Matt
Lucas, Susan
Hammon, Nancy
Deshpande, Shweta
Cheng, Jan-Fang
Tapia, Roxanne
Goodwin, Lynne A.
Pitluck, Sam
Liolios, Konstantinos
Pagani, Ioanna
Ivanova, Natalia
Mavromatis, Konstantinos
Mikhailova, Natalia
Huntemann, Marcel
Pati, Amrita
Chen, Amy
Palaniappan, Krishna
Chang, Yun-juan
Land, Miriam
Hauser, Loren
Rohde, Manfred
Pukall, Ruediger
Goeker, Markus
Detter, John C.
Woyke, Tanja
Bristow, James
Eisen, Jonathan A.
Markowitz, Victor
Hugenholtz, Philip
Kyrpides, Nikos C.
Klenk, Hans-Peter
TI Complete genome sequence of Coriobacterium glomerans type strain
(PW2(T)) from the midgut of Pyrrhocoris apterus L. (red soldier bug)
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE Gram-positive; non-motile; non-sporulating; obligatory anaerobic;
chemoorganotroph; mesophile; endosymbiont; insect intestinal tract;
Coriobacteriaceae; Actinobacteria; GEBA
ID PROPOSAL; BACTERIA; ARCHAEA; SYSTEM; NOV; ACTINOBACTERIA;
CLASSIFICATION; ATOPOBIUM; DATABASE; GRAPHS
AB Coriobacterium glomerans Haas and Konig 1988, is the only species of the genus Coriobacterium, family Coriobacteriaceae, order Coriobacteriales, phylum Actinobacteria. The bacterium thrives as an endosymbiont of pyrrhocorid bugs, i.e. the red fire bug Pyrrhocoris apterus L. The rationale for sequencing the genome of strain PW2(T) is its endosymbiotic life style which is rare among members of Actinobacteria. Here we describe the features of this symbiont, together with the complete genome sequence and its annotation. This is the first complete genome sequence of a member of the genus Coriobacterium and the sixth member of the order Coriobacteriales for which complete genome sequences are now available. The 2,115,681 bp long single replicon genome with its 1,804 protein-coding and 54 RNA genes is part of the Genomic Encyclopedia of Bacteria and Archaea project.
C1 [Stackebrandt, Erko; Goeker, Markus; Klenk, Hans-Peter] Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
[Zeytun, Ahmet; Tapia, Roxanne; Goodwin, Lynne A.; Detter, John C.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Zeytun, Ahmet; Lapidus, Alla; Nolan, Matt; Lucas, Susan; Hammon, Nancy; Deshpande, Shweta; Cheng, Jan-Fang; Tapia, Roxanne; Goodwin, Lynne A.; Pitluck, Sam; Liolios, Konstantinos; Pagani, Ioanna; Ivanova, Natalia; Mavromatis, Konstantinos; Mikhailova, Natalia; Huntemann, Marcel; Pati, Amrita; Chang, Yun-juan; Land, Miriam; Hauser, Loren; Woyke, Tanja; Bristow, James; Eisen, Jonathan A.; Hugenholtz, Philip; Kyrpides, Nikos C.] DOE Joint Genome Inst, Walnut Creek, CA USA.
[Chen, Amy; Palaniappan, Krishna; Markowitz, Victor] Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA USA.
[Chang, Yun-juan; Land, Miriam; Hauser, Loren] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Rohde, Manfred] HZI Helmholtz Ctr Infect Res, Braunschweig, Germany.
[Eisen, Jonathan A.] Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA.
[Hugenholtz, Philip] Univ Queensland, Sch Chem & Mol Biosci, Australian Ctr Ecogen, Brisbane, Qld, Australia.
RP Klenk, HP (reprint author), Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
RI Land, Miriam/A-6200-2011; Kyrpides, Nikos/A-6305-2014; Lapidus,
Alla/I-4348-2013;
OI Land, Miriam/0000-0001-7102-0031; Kyrpides, Nikos/0000-0002-6131-0462;
Lapidus, Alla/0000-0003-0427-8731; Eisen, Jonathan
A./0000-0002-0159-2197
FU US Department of Energy Office of Science, Biological and Environmental
Research Program; University of California, Lawrence Berkeley National
Laboratory [DE-AC02-05CH11231]; University of California, Lawrence
Livermore National Laboratory [DE-AC52-07NA27344]; University of
California, Los Alamos National Laboratory [DE-AC02-06NA25396];
UT-Battelle and Oak Ridge National Laboratory [DE-AC05-00OR22725]
FX We would like to gratefully acknowledge the help of Gabriele
Gehrich-Schroter for growing C. glomerans cultures, and Susanne
Schneider for DNA extraction and quality control (both at DSMZ). This
work was performed under the auspices of the US Department of Energy
Office of Science, Biological and Environmental Research Program, and by
the University of California, Lawrence Berkeley National Laboratory
under contract No. DE-AC02-05CH11231, Lawrence Livermore National
Laboratory under Contract No. DE-AC52-07NA27344, and Los Alamos National
Laboratory under contract No. DE-AC02-06NA25396, UT-Battelle and Oak
Ridge National Laboratory under contract DE-AC05-00OR22725.
NR 47
TC 2
Z9 3
U1 0
U2 7
PU GENOMIC STAND CONSORT
PI EAST LANSING
PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS
SCI BLDG, EAST LANSING, MI 48824 USA
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2013
VL 8
IS 1
BP 15
EP 25
DI 10.4056/sigs.3507020
PG 11
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA 203WP
UT WOS:000323325500002
PM 23961308
ER
PT J
AU Mavromatis, K
Stackebrandt, E
Munk, C
Lapidus, A
Nolan, M
Lucas, S
Hammon, N
Deshpande, S
Cheng, JF
Tapia, R
Goodwin, LA
Pitluck, S
Liolios, K
Pagani, I
Ivanova, N
Mikhailova, N
Huntemann, M
Pati, A
Chen, A
Palaniappan, K
Land, M
Hauser, L
Rohde, M
Gronow, S
Gooker, M
Detter, JC
Bristow, J
Eisen, JA
Markowitz, V
Hugenholtz, P
Kyrpides, NC
Klenk, HP
Woyke, T
AF Mavromatis, Konstantinos
Stackebrandt, Erko
Munk, Christine
Lapidus, Alla
Nolan, Matt
Lucas, Susan
Hammon, Nancy
Deshpande, Shweta
Cheng, Jan-Fang
Tapia, Roxanne
Goodwin, Lynne A.
Pitluck, Sam
Liolios, Konstantinos
Pagani, Ioanna
Ivanova, Natalia
Mikhailova, Natalia
Huntemann, Marcel
Pati, Amrita
Chen, Amy
Palaniappan, Krishna
Land, Miriam
Hauser, Loren
Rohde, Manfred
Gronow, Sabine
Goeker, Markus
Detter, John C.
Bristow, James
Eisen, Jonathan A.
Markowitz, Victor
Hugenholtz, Philip
Kyrpides, Nikos C.
Klenk, Hans-Peter
Woyke, Tanja
TI Complete genome sequence of the bile-resistant pigment-producing
anaerobe Alistipes finegoldii type strain (AHN2437(T))
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE Gram-negative; rod-shaped; non-sporulating; non-motile; mesophile;
strictly anaerobic; chemoorganotrophic; Rikenellaceae; GEBA
ID SP-NOV.; BACTERIA; ARCHAEA; RECLASSIFICATION; ALGORITHM; DATABASE;
SYSTEM; GRAPHS; TOOL
AB Alistipes finegoldii Rautio et al. 2003 is one of five species of Alistipes with a validly published name: family Rikenellaceae, order Bacteroidetes, class Bacteroidia, phylum Bacteroidetes. This rod-shaped and strictly anaerobic organism has been isolated mostly from human tissues. Here we describe the features of the type strain of this species, together with the complete genome sequence, and annotation. A. finegoldii is the first member of the genus Alistipes for which the complete genome sequence of its type strain is now available. The 3,734,239 bp long single replicon genome with its 3,302 protein-coding and 68 RNA genes is part of the Genomic Encyclopedia of Bacteria and Archaea project.
C1 [Mavromatis, Konstantinos; Munk, Christine; Lapidus, Alla; Nolan, Matt; Lucas, Susan; Hammon, Nancy; Deshpande, Shweta; Cheng, Jan-Fang; Tapia, Roxanne; Goodwin, Lynne A.; Pitluck, Sam; Liolios, Konstantinos; Pagani, Ioanna; Ivanova, Natalia; Mikhailova, Natalia; Huntemann, Marcel; Pati, Amrita; Land, Miriam; Hauser, Loren; Bristow, James; Eisen, Jonathan A.; Hugenholtz, Philip; Kyrpides, Nikos C.; Woyke, Tanja] DOE Joint Genome Inst, Walnut Creek, CA USA.
[Stackebrandt, Erko; Gronow, Sabine; Klenk, Hans-Peter] Leibniz Inst DSMZ German Collect Microorganisms, Braunschweig, Germany.
[Munk, Christine; Hammon, Nancy; Deshpande, Shweta; Tapia, Roxanne; Goodwin, Lynne A.; Detter, John C.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Chen, Amy; Palaniappan, Krishna; Markowitz, Victor] Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA USA.
[Land, Miriam; Hauser, Loren] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Rohde, Manfred] HZI Helmholtz Ctr Infect Res, Braunschweig, Germany.
[Eisen, Jonathan A.] Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA.
[Hugenholtz, Philip] Univ Queensland, Sch Chem & Mol Biosci, Australian Ctr Ecogen, Brisbane, Qld, Australia.
RP Klenk, HP (reprint author), Leibniz Inst DSMZ German Collect Microorganisms, Braunschweig, Germany.
RI Land, Miriam/A-6200-2011; Kyrpides, Nikos/A-6305-2014; Lapidus,
Alla/I-4348-2013;
OI Land, Miriam/0000-0001-7102-0031; Kyrpides, Nikos/0000-0002-6131-0462;
Lapidus, Alla/0000-0003-0427-8731; Eisen, Jonathan
A./0000-0002-0159-2197
FU US Department of Energy Office of Science, Biological and Environmental
Research Program; University of California, Lawrence Berkeley National
Laboratory [DE-AC02-05CH11231]; University of California, Lawrence
Livermore National Laboratory [DE-AC52-07NA27344]; University of
California, Los Alamos National Laboratory [DE-AC02-06NA25396];
UT-Battelle and Oak Ridge National Laboratory [DE-AC05-00OR22725]
FX We would like to gratefully acknowledge the help of Sabine Welnitz for
growing A. finegoldii cultures, and Evelyne-Marie Brambilla for DNA
extraction and quality control (both at DSMZ). This work was performed
under the auspices of the US Department of Energy Office of Science,
Biological and Environmental Research Program, and by the University of
California, Lawrence Berkeley National Laboratory under contract No.
DE-AC02-05CH11231, Lawrence Livermore National Laboratory under Contract
No. DE-AC52-07NA27344, and Los Alamos National Laboratory under contract
No. DE-AC02-06NA25396, UT-Battelle and Oak Ridge National Laboratory
under contract DE-AC05-00OR22725.
NR 41
TC 2
Z9 2
U1 1
U2 6
PU GENOMIC STAND CONSORT
PI EAST LANSING
PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS
SCI BLDG, EAST LANSING, MI 48824 USA
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2013
VL 8
IS 1
BP 26
EP 36
DI 10.4056/sigs.3527032
PG 11
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA 203WP
UT WOS:000323325500003
PM 23961309
ER
PT J
AU Stackebrandt, E
Chertkov, O
Lapidus, A
Nolan, M
Lucas, S
Han, C
Cheng, JF
Tapia, R
Goodwin, LA
Bruce, D
Pitluck, S
Liolios, K
Mavromatis, K
Pagani, I
Ivanova, N
Mikhailova, N
Huntemann, M
Pati, A
Chen, A
Palaniappan, K
Rohde, M
Tindall, BJ
Goker, M
Woyke, T
Detter, JC
Bristow, J
Eisen, JA
Markowitz, V
Hugenholtz, P
Klenk, HP
Kyrpides, NC
AF Stackebrandt, Erko
Chertkov, Olga
Lapidus, Alla
Nolan, Matt
Lucas, Susan
Han, Cliff
Cheng, Jan-Fang
Tapia, Roxanne
Goodwin, Lynne A.
Bruce, David
Pitluck, Sam
Liolios, Konstantinos
Mavromatis, Konstantinos
Pagani, Ioanna
Ivanova, Natalia
Mikhailova, Natalia
Huntemann, Marcel
Pati, Amrita
Chen, Amy
Palaniappan, Krishna
Rohde, Manfred
Tindall, Brian J.
Goeker, Markus
Woyke, Tanja
Detter, John C.
Bristow, James
Eisen, Jonathan A.
Markowitz, Victor
Hugenholtz, Philip
Klenk, Hans-Peter
Kyrpides, Nikos C.
TI High-quality-draft genome sequence of the yellow-pigmented
flavobacterium Joostella marina type strain (En5(T))
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE Gram-negative; non-motile; aerobic; mesophile; Flavobacteriaceae;
Bacteroidetes; GEBA
ID FAMILY FLAVOBACTERIACEAE; SP-NOV.; EMENDED DESCRIPTION; BACTERIA;
ARCHAEA; MEMBER; CLASSIFICATION; ALGORITHM; DATABASE; PROPOSAL
AB At present, Joostella marina Quan et al. 2008 is the sole species with a validly published name in the genus Joostella, family Flavobacteriacae, phylum Bacteriodetes. It is a yellow-pigmented, aerobic, marine organism about which little has been reported other than the chemotaxonomic features required for initial taxonomic description. The genome of J. marina strain En5(T) complements a list of 16 Flavobacteriaceae strains for which complete genomes and draft genomes are currently available. Here we describe the features of this bacterium, together with the complete genome sequence, and annotation. This is the first member of the genus Joostella for which a complete genome sequence becomes available. The 4,508,243 bp long single replicon genome with its 3,944 protein-coding and 60 RNA genes is part of the Genomic Encyclopedia of Bacteria and Archaea project.
C1 [Stackebrandt, Erko; Tindall, Brian J.; Goeker, Markus; Klenk, Hans-Peter] Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
[Chertkov, Olga; Lapidus, Alla; Nolan, Matt; Lucas, Susan; Han, Cliff; Cheng, Jan-Fang; Tapia, Roxanne; Goodwin, Lynne A.; Bruce, David; Pitluck, Sam; Liolios, Konstantinos; Mavromatis, Konstantinos; Pagani, Ioanna; Ivanova, Natalia; Mikhailova, Natalia; Huntemann, Marcel; Pati, Amrita; Woyke, Tanja; Bristow, James; Eisen, Jonathan A.; Hugenholtz, Philip; Kyrpides, Nikos C.] DOE Joint Genome Inst, Walnut Creek, CA USA.
[Chertkov, Olga; Han, Cliff; Tapia, Roxanne; Goodwin, Lynne A.; Bruce, David; Detter, John C.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Chen, Amy; Palaniappan, Krishna; Markowitz, Victor] Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA USA.
[Rohde, Manfred] HZI Helmholtz Ctr Infect Res, Braunschweig, Germany.
[Eisen, Jonathan A.] Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA.
[Hugenholtz, Philip] Univ Queensland, Sch Chem & Mol Biosci, Australian Ctr Ecogen, Brisbane, Qld, Australia.
RP Klenk, HP (reprint author), Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
RI Kyrpides, Nikos/A-6305-2014; Lapidus, Alla/I-4348-2013;
OI Kyrpides, Nikos/0000-0002-6131-0462; Lapidus, Alla/0000-0003-0427-8731;
Eisen, Jonathan A./0000-0002-0159-2197
FU US Department of Energy Office of Science, Biological and Environmental
Research Program; University of California, Lawrence Berkeley National
Laboratory [DE-AC02-05CH11231]; University of California, Lawrence
Livermore National Laboratory [DE-AC52-07NA27344]; University of
California, Los Alamos National Laboratory [DE-AC02-06NA25396];
UT-Battelle and Oak Ridge National Laboratory [DE-AC05-00OR22725]
FX We would like to gratefully acknowledge the help of Helga Pomrenke for
growing J. marina cultures, and Evelyne-Marie Brambilla for DNA
extraction and quality control (both at DSMZ). This work was performed
under the auspices of the US Department of Energy Office of Science,
Biological and Environmental Research Program, and by the University of
California, Lawrence Berkeley National Laboratory under contract No.
DE-AC02-05CH11231, Lawrence Livermore National Laboratory under Contract
No. DE-AC52-07NA27344, and Los Alamos National Laboratory under contract
No. DE-AC02-06NA25396, UT-Battelle and Oak Ridge National Laboratory
under contract DE-AC05-00OR22725.
NR 46
TC 2
Z9 2
U1 1
U2 6
PU GENOMIC STAND CONSORT
PI EAST LANSING
PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS
SCI BLDG, EAST LANSING, MI 48824 USA
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2013
VL 8
IS 1
BP 37
EP 46
DI 10.4056/sigs.3537045
PG 10
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA 203WP
UT WOS:000323325500004
PM 23961310
ER
PT J
AU Mavromatis, K
Stackebrandt, E
Held, B
Lapidus, A
Nolan, M
Lucas, S
Hammon, N
Deshpande, S
Cheng, JF
Tapia, R
Goodwin, LA
Pitluck, S
Liolios, K
Pagani, I
Ivanova, N
Mikhailova, N
Huntemann, M
Pati, A
Chen, A
Palaniappan, K
Land, M
Rohde, M
Spring, S
Goker, M
Woyke, T
Detter, JC
Bristow, J
Eisen, JA
Markowitz, V
Hugenholtz, P
Klenk, HP
Kyrpides, NC
AF Mavromatis, Konstantinos
Stackebrandt, Erko
Held, Brittany
Lapidus, Alla
Nolan, Matt
Lucas, Susan
Hammon, Nancy
Deshpande, Shweta
Cheng, Jan-Fang
Tapia, Roxanne
Goodwin, Lynne A.
Pitluck, Sam
Liolios, Konstantinos
Pagani, Ioanna
Ivanova, Natalia
Mikhailova, Natalia
Huntemann, Marcel
Pati, Amrita
Chen, Amy
Palaniappan, Krishna
Land, Miriam
Rohde, Manfred
Spring, Stefan
Goeker, Markus
Woyke, Tanja
Detter, John C.
Bristow, James
Eisen, Jonathan A.
Markowitz, Victor
Hugenholtz, Philip
Klenk, Hans-Peter
Kyrpides, Nikos C.
TI Complete genome sequence of the moderate thermophile Anaerobaculum
mobile type strain (NGA(T))
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE Gram-negative; rod-shaped; motile; flagellum; non-spore forming;
anaerobic; chemoorganotrophic; crotonate-reducer; Synergistetes;
Synergistaceae; GEBA
ID EMENDED DESCRIPTION; GENUS ANAEROBACULUM; SP NOV.; BACTERIUM; ARCHAEA;
ALGORITHM; DATABASE; GLUCOSE; SYSTEM; GRAPHS
AB Anaerobaculum mobile Menes and Muxi 2002 is one of three described species of the genus Anaerobaculum, family Synergistaceae, phylum Synergistetes. This anaerobic and motile bacterium ferments a range of carbohydrates and mono- and dicarboxylic acids with acetate, hydrogen and CO2 as end products. A. mobile NGA(T) is the first member of the genus Anaerobaculum and the sixth member of the phylum Synergistetes with a completely sequenced genome. Here we describe the features of this bacterium, together with the complete genome sequence, and annotation. The 2,160,700 bp long single replicon genome with its 2,053 protein-coding and 56 RNA genes is part of the Genomic Encyclopedia of Bacteria and Archaea project.
C1 [Mavromatis, Konstantinos; Held, Brittany; Lapidus, Alla; Nolan, Matt; Lucas, Susan; Hammon, Nancy; Deshpande, Shweta; Cheng, Jan-Fang; Tapia, Roxanne; Goodwin, Lynne A.; Pitluck, Sam; Liolios, Konstantinos; Pagani, Ioanna; Ivanova, Natalia; Mikhailova, Natalia; Huntemann, Marcel; Pati, Amrita; Land, Miriam; Woyke, Tanja; Bristow, James; Eisen, Jonathan A.; Hugenholtz, Philip; Kyrpides, Nikos C.] DOE Joint Genome Inst, Walnut Creek, CA USA.
[Stackebrandt, Erko; Spring, Stefan; Goeker, Markus; Klenk, Hans-Peter] Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
[Held, Brittany; Hammon, Nancy; Deshpande, Shweta; Tapia, Roxanne; Goodwin, Lynne A.; Detter, John C.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Chen, Amy; Palaniappan, Krishna] Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA USA.
[Land, Miriam] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Rohde, Manfred] HZI Helmholtz Ctr Infect Res, Braunschweig, Germany.
[Eisen, Jonathan A.] Univ Calif Davis, Genome Ctr, Davis, CA USA.
[Hugenholtz, Philip] Univ Queensland, Sch Chem & Mol Biosci, Australian Ctr Ecogen, Brisbane, Qld, Australia.
RP Klenk, HP (reprint author), Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
RI Spring, Stefan/N-6933-2013; Land, Miriam/A-6200-2011; Kyrpides,
Nikos/A-6305-2014; Lapidus, Alla/I-4348-2013;
OI Spring, Stefan/0000-0001-6247-0938; Land, Miriam/0000-0001-7102-0031;
Kyrpides, Nikos/0000-0002-6131-0462; Lapidus, Alla/0000-0003-0427-8731;
Eisen, Jonathan A./0000-0002-0159-2197
FU US Department of Energy Office of Science, Biological and Environmental
Research Program; University of California, Lawrence Berkeley National
Laboratory [DE-AC02-05CH11231]; University of California, Lawrence
Livermore National Laboratory [DE-AC52-07NA27344]; University of
California, Los Alamos National Laboratory [DE-AC02-06NA25396];
UT-Battelle and Oak Ridge National Laboratory [DE-AC05-00OR22725]
FX We would like to gratefully acknowledge the help of Maren Schroder for
growing A. mobile cultures, Evelyne-Marie Brambilla for DNA extraction
and quality control, and Cathrin Sproer and Rudiger Pukall for helpful
comments (all at DSMZ). This work was performed under the auspices of
the US Department of Energy Office of Science, Biological and
Environmental Research Program, and by the University of California,
Lawrence Berkeley National Laboratory under contract No.
DE-AC02-05CH11231, Lawrence Livermore National Laboratory under Contract
No. DE-AC52-07NA27344, and Los Alamos National Laboratory under contract
No. DE-AC02-06NA25396, UT-Battelle and Oak Ridge National Laboratory
under contract DE-AC05-00OR22725.
NR 38
TC 6
Z9 7
U1 0
U2 4
PU GENOMIC STAND CONSORT
PI EAST LANSING
PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS
SCI BLDG, EAST LANSING, MI 48824 USA
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2013
VL 8
IS 1
BP 47
EP 57
DI 10.4056/sigs.3547050
PG 11
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA 203WP
UT WOS:000323325500005
PM 23961311
ER
PT J
AU Visser, M
Worm, P
Muyzer, G
Pereira, IAC
Schaap, PJ
Plugge, CM
Kuever, J
Parshina, SN
Nazina, TN
Ivanova, AE
Bernier-Latmani, R
Goodwin, LA
Kyrpides, NC
Woyke, T
Chain, P
Davenport, KW
Spring, S
Klenk, HP
Stams, AJM
AF Visser, Michael
Worm, Petra
Muyzer, Gerard
Pereira, Ines A. C.
Schaap, Peter J.
Plugge, Caroline M.
Kuever, Jan
Parshina, Sofiya N.
Nazina, Tamara N.
Ivanova, Anna E.
Bernier-Latmani, Rizlan
Goodwin, Lynne A.
Kyrpides, Nikos C.
Woyke, Tanja
Chain, Patrick
Davenport, Karen W.
Spring, Stefan
Klenk, Hans-Peter
Stams, Alfons J. M.
TI Genome analysis of Desulfotomaculum kuznetsovii strain 17(T) reveals a
physiological similarity with Pelotomaculum thermopropionicum strain SIT
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE Thermophilic spore-forming anaerobes; sulfate reduction; autotrophic;
methylotrophic; Peptococcaceae; Clostridiales
ID SULFATE-REDUCING BACTERIA; CLOSTRIDIUM-THERMOACETICUM; CARBON-MONOXIDE;
GEN. NOV.; SEQUENCE; PREDICTION; BIOSYNTHESIS; OXIDATION; METHANOL;
ENZYMES
AB Desulfotomaculum kuznetsovii is a moderately thermophilic member of the polyphyletic spore-forming genus Desulfotomaculum in the family Peptococcaceae. This species is of interest because it originates from deep subsurface thermal mineral water at a depth of about 3,000 m. D. kuznetsovii is a rather versatile bacterium as it can grow with a large variety of organic substrates, including short-chain and long-chain fatty acids, which are degraded completely to carbon dioxide coupled to the reduction of sulfate. It can grow methylotrophically with methanol and sulfate and autotrophically with H-2 + CO2 and sulfate. For growth it does not require any vitamins. Here, we describe the features of D. kuznetsovii together with the genome sequence and annotation. The chromosome has 3,601,386 bp organized in one contig. A total of 3,567 candidate protein-encoding genes and 58 RNA genes were identified. Genes of the acetyl-CoA pathway, possibly involved in heterotrophic growth with acetate and methanol, and in CO2 fixation during autotrophic growth are present. Genomic comparison revealed that D. kuznetsovii shows a high similarity with Pelotomaculum thermopropionicum. Genes involved in propionate metabolism of these two strains show a strong similarity. However, main differences are found in genes involved in the electron acceptor metabolism.
C1 [Visser, Michael; Worm, Petra; Plugge, Caroline M.; Stams, Alfons J. M.] Wageningen Univ, Microbiol Lab, NL-6700 AP Wageningen, Netherlands.
[Muyzer, Gerard] Univ Amsterdam, Inst Biodivers & Ecosyst Dynam, Dept Aquat Microbiol, Amsterdam, Netherlands.
[Pereira, Ines A. C.] Univ Nova Lisboa, Inst Tecnol Quim & Biol, Oeiras, Portugal.
[Schaap, Peter J.] Wageningen Univ, Lab Syst & Synthet Biol, NL-6700 AP Wageningen, Netherlands.
[Kuever, Jan] Bremen Inst Mat Testing, Dept Microbiol, Bremen, Germany.
[Parshina, Sofiya N.; Nazina, Tamara N.; Ivanova, Anna E.] Russian Acad Sci, Winogradsky Inst Microbiol, Moscow, Russia.
[Bernier-Latmani, Rizlan] Ecole Polytech Fed Lausanne, Lausanne, Switzerland.
[Goodwin, Lynne A.; Kyrpides, Nikos C.; Woyke, Tanja; Chain, Patrick; Davenport, Karen W.] DOE Joint Genome Inst, Walnut Creek, CA USA.
[Goodwin, Lynne A.; Chain, Patrick; Davenport, Karen W.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Spring, Stefan; Klenk, Hans-Peter] Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
[Stams, Alfons J. M.] Univ Minho, Ctr Biol Engn, Braga, Portugal.
RP Visser, M (reprint author), Wageningen Univ, Microbiol Lab, NL-6700 AP Wageningen, Netherlands.
RI Bernier-Latmani, Rizlan/E-4398-2011; Spring, Stefan/N-6933-2013;
Pereira, Ines/C-2748-2009; Kyrpides, Nikos/A-6305-2014; Stams,
Alfons/C-8167-2014;
OI Bernier-Latmani, Rizlan/0000-0001-6547-722X; Spring,
Stefan/0000-0001-6247-0938; Chain, Patrick/0000-0003-3949-3634; Pereira,
Ines/0000-0003-3283-4520; Kyrpides, Nikos/0000-0002-6131-0462; Stams,
Alfons/0000-0001-7840-6500; Muyzer, Gerard/0000-0002-2422-0732
FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231];
Netherlands Science Foundation (NWO) [CW-TOP 700.55.343, ALW
819.02.014]; European Research Council [323009]
FX The work conducted by the U.S. Department of Energy Joint Genome
Institute is supported by the Office of Science of the U.S. Department
of Energy under Contract No. DE-AC02-05CH11231, and was also supported
by grants CW-TOP 700.55.343 and ALW 819.02.014 of the Netherlands
Science Foundation (NWO) and grant 323009 of the European Research
Council.
NR 52
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U2 13
PU GENOMIC STAND CONSORT
PI EAST LANSING
PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS
SCI BLDG, EAST LANSING, MI 48824 USA
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2013
VL 8
IS 1
BP 69
EP 87
DI 10.4056/sigs.3627141
PG 19
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA 203WP
UT WOS:000323325500007
PM 23961313
ER
PT J
AU Abt, B
Goker, M
Scheuner, C
Han, C
Lu, MG
Misra, M
Lapidus, A
Nolan, M
Lucas, S
Hammon, N
Deshpande, S
Cheng, JF
Tapia, R
Goodwin, LA
Pitluck, S
Liolios, K
Pagani, I
Ivanova, N
Mavromatis, K
Mikhailova, N
Huntemann, M
Pati, A
Chen, A
Palaniappan, K
Land, M
Hauser, L
Jeffries, CD
Rohde, M
Spring, S
Gronow, S
Detter, JC
Bristow, J
Eisen, JA
Markowitz, V
Hugenholtz, P
Kyrpides, NC
Woyke, T
Klenk, HP
AF Abt, Birte
Goeker, Markus
Scheuner, Carmen
Han, Cliff
Lu, Megan
Misra, Monica
Lapidus, Alla
Nolan, Matt
Lucas, Susan
Hammon, Nancy
Deshpande, Shweta
Cheng, Jan-Fang
Tapia, Roxanne
Goodwin, Lynne A.
Pitluck, Sam
Liolios, Konstantinos
Pagani, Ioanna
Ivanova, Natalia
Mavromatis, Konstantinos
Mikhailova, Natalia
Huntemann, Marcel
Pati, Amrita
Chen, Amy
Palaniappan, Krishna
Land, Miriam
Hauser, Loren
Jeffries, Cynthia D.
Rohde, Manfred
Spring, Stefan
Gronow, Sabine
Detter, John C.
Bristow, James
Eisen, Jonathan A.
Markowitz, Victor
Hugenholtz, Philip
Kyrpides, Nikos C.
Woyke, Tanja
Klenk, Hans-Peter
TI Genome sequence of the thermophilic fresh-water bacterium Spirochaeta
caldaria type strain (H1(T)), reclassification of Spirochaeta caldaria,
Spirochaeta stenostrepta, and Spirochaeta zuelzerae in the genus
Treponema as Treponema caldaria comb. nov., Treponema stenostrepta comb.
nov., and Treponema zuelzerae comb. nov., and emendation of the genus
Treponema
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE obligately anaerobic; thermophilic; spiral-shaped; motile; periplasmic
flagella; Gram-negative; chemoorganotrophic; Spirochaetaceae;
Spirochaeta; Treponema; GEBA
ID STANDARD OPERATING PROCEDURE; CLASSIFICATION; ARCHAEA; SYSTEM; NAMES;
PERIODONTITIS; NOMENCLATURE; PHYLOGENY; ALGORITHM; DATABASE
AB Spirochaeta caldaria Pohlschroeder et al. 1995 is an obligately anaerobic, spiral-shaped bacterium that is motile via periplasmic flagella. The type strain, H1(T), was isolated in 1990 from cyanobacterial mat samples collected at a freshwater hot spring in Oregon, USA, and is of interest because it enhances the degradation of cellulose when grown in co-culture with Clostridium thermocellum. Here we provide a taxonomic re-evaluation for S. caldaria based on phylogenetic analyses of 16S rRNA sequences and whole genomes, and propose the reclassification of S. caldaria and two other Spirochaeta species as members of the emended genus Treponema. Whereas genera such as Borrelia and Sphaerochaeta possess well-distinguished genomic features related to their divergent lifestyles, the physiological and functional genomic characteristics of Spirochaeta and Treponema appear to be intermixed and are of little taxonomic value. The 3,239,340 bp long genome of strain H1(T) with its 2,869 protein-coding and 59 RNA genes is a part of the Genomic Encyclopedia of Bacteria and Archaea project.
C1 [Abt, Birte; Goeker, Markus; Scheuner, Carmen; Spring, Stefan; Gronow, Sabine; Klenk, Hans-Peter] Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
[Han, Cliff; Lu, Megan; Misra, Monica; Lapidus, Alla; Nolan, Matt; Lucas, Susan; Hammon, Nancy; Deshpande, Shweta; Cheng, Jan-Fang; Tapia, Roxanne; Goodwin, Lynne A.; Pitluck, Sam; Liolios, Konstantinos; Pagani, Ioanna; Ivanova, Natalia; Mavromatis, Konstantinos; Mikhailova, Natalia; Huntemann, Marcel; Pati, Amrita; Land, Miriam; Hauser, Loren; Jeffries, Cynthia D.; Bristow, James; Eisen, Jonathan A.; Hugenholtz, Philip; Kyrpides, Nikos C.; Woyke, Tanja] DOE Joint Genome Inst, Walnut Creek, CA USA.
[Han, Cliff; Lu, Megan; Misra, Monica; Tapia, Roxanne; Goodwin, Lynne A.; Detter, John C.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Chen, Amy; Palaniappan, Krishna; Markowitz, Victor] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA.
[Land, Miriam; Hauser, Loren; Jeffries, Cynthia D.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Rohde, Manfred] HZI Helmholtz Ctr Infect Res, Braunschweig, Germany.
[Eisen, Jonathan A.] Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA.
[Hugenholtz, Philip] Univ Queensland, Sch Chem & Mol Biosci, Australian Ctr Ecogenom, Brisbane, Qld, Australia.
RP Woyke, T (reprint author), DOE Joint Genome Inst, Walnut Creek, CA USA.
EM T_Woyke@lbl.gov; hpk@dsmz.de
RI Kyrpides, Nikos/A-6305-2014; Lapidus, Alla/I-4348-2013; Spring,
Stefan/N-6933-2013; Land, Miriam/A-6200-2011
OI Kyrpides, Nikos/0000-0002-6131-0462; Lapidus, Alla/0000-0003-0427-8731;
Spring, Stefan/0000-0001-6247-0938; Land, Miriam/0000-0001-7102-0031
FU US Department of Energy Office of Science, Biological and Environmental
Research Program; University of California, Lawrence Berkeley National
Laboratory [DE-AC02-05CH11231]; University of California, Lawrence
Livermore National Laboratory [DE-AC52-07NA27344]; University of
California, Los Alamos National Laboratory [DE-AC02-06NA25396];
UT-Battelle and Oak Ridge National Laboratory [DE-AC05-00OR22725];
German Research Foundation (DFG) [INST 599/1-2]
FX We would like to gratefully acknowledge the help of Maren Schroder for
growing S. caldaria cultures and Evelyne-Marie Bramilla for DNA
extraction and quality control (both at DSMZ). This work was performed
under the auspices of the US Department of Energy Office of Science,
Biological and Environmental Research Program, and by the University of
California, Lawrence Berkeley National Laboratory under contract No.
DE-AC02-05CH11231, Lawrence Livermore National Laboratory under Contract
No. DE-AC52-07NA27344, and Los Alamos National Laboratory under contract
No. DE-AC02-06NA25396, UT-Battelle and Oak Ridge National Laboratory
under contract DE-AC05-00OR22725, as well as German Research Foundation
(DFG) INST 599/1-2.
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PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2013
VL 8
IS 1
BP 88
EP 105
DI 10.4056/sigs.3096473
PG 18
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA 203WP
UT WOS:000323325500008
PM 23961314
ER
PT J
AU Smith, D
Alverdy, J
An, G
Coleman, M
Garcia-Houchins, S
Green, J
Keegan, K
Kelley, ST
Kirkup, BC
Kociolek, L
Levin, H
Landon, E
Olsiewski, P
Knight, R
Siegel, J
Weber, S
Gilbert, J
AF Smith, Daniel
Alverdy, John
An, Gary
Coleman, Maureen
Garcia-Houchins, Sylvia
Green, Jessica
Keegan, Kevin
Kelley, Scott T.
Kirkup, Benjamin C.
Kociolek, Larry
Levin, Hal
Landon, Emily
Olsiewski, Paula
Knight, Rob
Siegel, Jeffrey
Weber, Stephen
Gilbert, Jack
TI The Hospital Microbiome Project: Meeting Report for the 1st Hospital
Microbiome Project Workshop on sampling design and building science
measurements, Chicago, USA, June 7th-8th 2012
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
AB This report details the outcome of the 1st Hospital Microbiome Project workshop held on June 7th-8th, 2012 at the University of Chicago, USA. The workshop was arranged to determine the most appropriate sampling strategy and approach to building science measurement to characterize the development of a microbial community within a new hospital pavilion being built at the University of Chicago Medical Center. The workshop made several recommendations and led to the development of a full proposal to the Alfred P. Sloan Foundation as well as to the creation of the Hospital Microbiome Consortium.
C1 [Smith, Daniel; Keegan, Kevin; Gilbert, Jack] Argonne Natl Lab, Argonne, IL 60439 USA.
[Alverdy, John; An, Gary] Univ Chicago, Dept Surg, Chicago, IL 60637 USA.
[Coleman, Maureen] Univ Chicago, Dept Geophys Sci, Chicago, IL 60637 USA.
[Garcia-Houchins, Sylvia; Weber, Stephen] Univ Chicago UCMC Infect Control, Chicago, IL 60637 USA.
[Green, Jessica] Univ Oregon, Inst Ecol & Evolut, Eugene, OR 97403 USA.
[Kelley, Scott T.] San Diego State Univ, Dept Biol, San Diego, CA 92182 USA.
[Kirkup, Benjamin C.] Walter Reed Army Inst Res, Dept Wound Infect, Silver Spring, MD 20910 USA.
[Kirkup, Benjamin C.] Uniformed Serv Univ Hlth Sci, F Edward Hebert Sch Med, Bethesda, MD 20814 USA.
[Kociolek, Larry] Ann & Robert H Lurie Childrens Hosp Chicago, Div Infect Dis, Dept Pediat, Chicago, IL 60611 USA.
[Levin, Hal] Bldg Ecol Res Grp, Santa Cruz, CA 95060 USA.
[Landon, Emily] Univ Chicago, Med Ctr, Chicago, IL 60637 USA.
[Olsiewski, Paula] Alfred P Sloan Fdn, New York, NY 10111 USA.
[Knight, Rob] Univ Colorado, Howard Hughes Med Inst, Boulder, CO 80309 USA.
[Knight, Rob] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
[Siegel, Jeffrey] Univ Texas Austin, Civil Archectural & Environm Engn Dept, Austin, TX 78712 USA.
[Gilbert, Jack] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA.
RP Smith, D (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
RI Kirkup, Benjamin/C-3610-2009; Knight, Rob/D-1299-2010;
OI Kirkup, Benjamin/0000-0002-8722-6218; Kociolek,
Larry/0000-0002-8756-3417; An, Gary/0000-0003-4549-9004
FU APSF; US Dept. of Energy [DE-AC02-06CH11357]; Argonne, a US Department
of Energy Office of Science laboratory [DE-AC02-06CH11357]
FX We acknowledge the APSF for funding this workshop. This work was
supported in part by the US Dept. of Energy under Contract
DE-AC02-06CH11357. The submitted manuscript has been created in part by
UChicago Argonne, LLC, Operator of Argonne National Laboratory
("Argonne"). Argonne, a US Department of Energy Office of Science
laboratory, is operated under Contract No. DE-AC02-06CH11357. The US
Government retains for itself, and others acting on its behalf, a
paid-up non-exclusive, 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.
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SCI BLDG, EAST LANSING, MI 48824 USA
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2013
VL 8
IS 1
BP 112
EP 117
DI 10.4056/sigs.3717348
PG 6
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA 203WP
UT WOS:000323325500010
PM 23961316
ER
PT J
AU Bates, ST
Ahrendt, S
Bik, HM
Bruns, TD
Caporaso, JG
Cole, J
Dwan, M
Fierer, N
Gu, D
Houston, S
Knight, R
Leff, J
Lewis, C
Maestre, JP
McDonald, D
Nilsson, RH
Porras-Alfaro, A
Robert, V
Schoch, C
Scott, J
Taylor, DL
Parfrey, LW
Stajich, JE
AF Bates, Scott T.
Ahrendt, Steven
Bik, Holly M.
Bruns, Thomas D.
Caporaso, J. Gregory
Cole, James
Dwan, Michael
Fierer, Noah
Gu, Dai
Houston, Shawn
Knight, Rob
Leff, Jon
Lewis, Christopher
Maestre, Juan P.
McDonald, Daniel
Nilsson, R. Henrik
Porras-Alfaro, Andrea
Robert, Vincent
Schoch, Conrad
Scott, James
Taylor, D. Lee
Parfrey, Laura Wegener
Stajich, Jason E.
TI Meeting Report: Fungal ITS Workshop (October 2012)
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
ID DATABASE; CLASSIFICATION; SEQUENCES
C1 [Bates, Scott T.; Fierer, Noah; Leff, Jon] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA.
[Ahrendt, Steven; Gu, Dai; Stajich, Jason E.] Univ Calif Riverside, Dept Plant Pathol & Microbiol, Riverside, CA 92521 USA.
[Bik, Holly M.] Univ Calif Davis, UC Davis Genome Ctr, Davis, CA 95616 USA.
[Bruns, Thomas D.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.
[Caporaso, J. Gregory] No Arizona Univ, Dept Comp Sci, Flagstaff, AZ 86011 USA.
[Caporaso, J. Gregory] Argonne Natl Labs, Argonne, IL USA.
[Cole, James] Michigan State Univ, Dept Microbiol & Mol Genetet, E Lansing, MI 48824 USA.
[Dwan, Michael] TGen North, Ctr Microbi & Human Hlth, Flagstaff, AZ USA.
[Houston, Shawn] Univ Minnesota, Minnesota Supercomp Inst, Minneapolis, MN USA.
[Knight, Rob; McDonald, Daniel] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
[Knight, Rob; Parfrey, Laura Wegener] Univ Colorado, Howard Hughes Med Inst, Boulder, CO 80309 USA.
[Lewis, Christopher] Agr & Agri Food Canada, Eastern Cereals & Oilseed Res Ctr, Ottawa, ON, Canada.
[Maestre, Juan P.] Univ Texas Austin, Dept Civil Architecture & Environm Engn, Austin, TX 78712 USA.
[McDonald, Daniel] Univ Colorado, Biofrontiers Inst, Boulder, CO 80309 USA.
[Nilsson, R. Henrik] Univ Gothenburg, Dept Biol & Environm Sci, Gothenburg, Sweden.
[Porras-Alfaro, Andrea] Western Illinois Univ, Dept Biol Sci, Macomb, IL 61455 USA.
[Robert, Vincent] Royal Netherlands Acad Arts & Sci, Cent Bureau Schimmelcultures, Utrecht, Netherlands.
[Schoch, Conrad] NIH, Natl Ctr Biotechnol Informat, Natl Lib Med, Bethesda, MD 20892 USA.
[Scott, James] Univ Toronto, Dalla Lana Sch Publ Hlth, Div Occupat & Environm Hlth, Toronto, ON, Canada.
[Taylor, D. Lee] Univ Alaska, Inst Arctic Biol, Fairbanks, AK 99775 USA.
RP Bates, ST (reprint author), Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA.
RI Scott, James/A-8598-2011; Stajich, Jason/C-7297-2008; Knight,
Rob/D-1299-2010;
OI Scott, James/0000-0002-5073-0832; Stajich, Jason/0000-0002-7591-0020;
Taylor, Donald/0000-0002-5985-9210; Porras-Alfaro,
Andrea/0000-0002-9053-7973; Nilsson, Henrik/0000-0002-8052-0107
FU Paula Olsiewski; Alfred P. Sloan Foundation
FX The workshop would not have been possible without the intellectual and
financial support of Paula Olsiewski and the Alfred P. Sloan Foundation.
We thank Jason Stajich, for organizing the meeting, as well as all the
workshop participants for their valuable contributions.
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SCI BLDG, EAST LANSING, MI 48824 USA
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2013
VL 8
IS 1
BP 118
EP 123
PG 6
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA 203WP
UT WOS:000323325500011
PM 23961317
ER
PT J
AU DeAngelis, KM
D'Haeseleer, P
Chivian, D
Simmons, B
Arkin, AP
Mavromatis, K
Malfatti, S
Tringe, S
Hazen, TC
AF DeAngelis, Kristen M.
D'Haeseleer, Patrik
Chivian, Dylan
Simmons, Blake
Arkin, Adam P.
Mavromatis, Konstantinos
Malfatti, Stephanie
Tringe, Susannah
Hazen, Terry C.
TI Metagenomes of tropical soil-derived anaerobic switchgrass-adapted
consortia with and without iron
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE Anaerobic decomposition; switchgrass; Panicum virgatum; tropical forest
soil; feedstock-adapted consortia; bacteria; archaea; metagenomics
ID MICROBIAL COMMUNITIES; GENOME SEQUENCE; REDUCTION; DATABASE;
MICROORGANISMS; IDENTIFICATION; ENVIRONMENTS; RECOGNITION; STRATEGIES;
PATTERNS
AB Tropical forest soils decompose litter rapidly with frequent episodes of anoxia, making it likely that bacteria using alternate terminal electron acceptors (TEAs) such as iron play a large role in supporting decomposition under these conditions. The prevalence of many types of metabolism in litter deconstruction makes these soils useful templates for improving biofuel production. To investigate how iron availability affects decomposition, we cultivated feedstock-adapted consortia (FACs) derived from iron-rich tropical forest soils accustomed to experiencing frequent episodes of anaerobic conditions and frequently fluctuating redox. One consortium was propagated under fermenting conditions, with switchgrass as the sole carbon source in minimal media (SG only FACs), and the other consortium was treated the same way but received poorly crystalline iron as an additional terminal electron acceptor (SG + Fe FACs). We sequenced the metagenomes of both consortia to a depth of about 150 Mb each, resulting in a coverage of 26x for the more diverse SG + Fe FACs, and 81 x for the relatively less diverse SG only FACs. Both consortia were able to quickly grow on switchgrass, and the iron-amended consortium exhibited significantly higher microbial diversity than the unamended consortium. We found evidence of higher stress in the unamended FACs and increased sugar transport and utilization in the iron-amended FACs. This work provides metagenomic evidence that supplementation of alternative TEAs may improve feedstock deconstruction in biofuel production.
C1 [DeAngelis, Kristen M.] Univ Massachusetts, Dept Microbiol, Amherst, MA 01003 USA.
[DeAngelis, Kristen M.; D'Haeseleer, Patrik; Simmons, Blake; Hazen, Terry C.] Joint BioEnergy Inst, Deconstruct Div, Microbial Communities Grp, Emeryville, CA USA.
[D'Haeseleer, Patrik] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Chivian, Dylan; Arkin, Adam P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Chivian, Dylan; Arkin, Adam P.] Joint BioEnergy Inst, Div Technol, Emeryville, CA USA.
[Simmons, Blake] Sandia Natl Labs, Livermore, CA USA.
[Mavromatis, Konstantinos; Malfatti, Stephanie; Tringe, Susannah] Joint Genome Inst, Dept Energy, Walnut Creek, CA USA.
[Hazen, Terry C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Dept Ecol, Berkeley, CA 94720 USA.
[Hazen, Terry C.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN USA.
[Hazen, Terry C.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA.
RP DeAngelis, KM (reprint author), Univ Massachusetts, Dept Microbiol, Amherst, MA 01003 USA.
EM kristen@post.harvard.edu
RI Arkin, Adam/A-6751-2008; Hazen, Terry/C-1076-2012;
OI Arkin, Adam/0000-0002-4999-2931; Hazen, Terry/0000-0002-2536-9993;
Simmons, Blake/0000-0002-1332-1810
FU US Department of Energy, Office of Science, Office of Biological and
Environmental Research [DE-AC02-05CH11231]
FX The work conducted in part by the US Department of Energy Joint Genome
Institute and in part by the Joint BioEnergy Institute
(http://www.jbei.org) supported by the US Department of Energy, Office
of Science, Office of Biological and Environmental Research, under
Contract No. DE-AC02-05CH11231. We would like to thank Dr. Ken Vogel
(USDA, ARS, Lincoln, NE) for providing samples of switchgrass (MPV 2
cultivar) for use in these studies. We are also grateful to Albert
Barberan for guidance in constructing the community networks.
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SCI BLDG, EAST LANSING, MI 48824 USA
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2013
VL 7
IS 3
BP 382
EP 398
DI 10.4056/sigs.3377516
PG 17
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA 203VY
UT WOS:000323323500004
PM 24019987
ER
PT J
AU Murugapiran, SK
Huntemann, M
Wei, CL
Han, J
Detter, JC
Han, C
Erkkila, TH
Teshima, H
Chen, A
Kyrpides, N
Mavrommatis, K
Markowitz, V
Szeto, E
Ivanova, N
Pagani, I
Pati, A
Goodwin, L
Peters, L
Pitluck, S
Lam, J
McDonald, AI
Dodsworth, JA
Woyke, T
Hedlund, BP
AF Murugapiran, Senthil K.
Huntemann, Marcel
Wei, Chia-Lin
Han, James
Detter, J. C.
Han, Cliff
Erkkila, Tracy H.
Teshima, Hazuki
Chen, Amy
Kyrpides, Nikos
Mavrommatis, Konstantinos
Markowitz, Victor
Szeto, Ernest
Ivanova, Natalia
Pagani, Ioanna
Pati, Amrita
Goodwin, Lynne
Peters, Lin
Pitluck, Sam
Lam, Jenny
McDonald, Austin I.
Dodsworth, Jeremy A.
Woyke, Tanja
Hedlund, Brian P.
TI Thermus oshimai JL-2 and T. thermophilus JL-18 genome analysis
illuminates pathways for carbon, nitrogen, and sulfur cycling
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE Thermus; Thermus oshimai; Thermus thermophilus; thermophiles; hot
springs; denitrification; nitrous oxide; Great Basin
ID HOT-SPRINGS; NITRATE RESPIRATION; EXTREME THERMOPHILE; GREAT-BASIN;
DISSIMILATORY REDUCTION; WOLINELLA-SUCCINOGENES; ELECTRON-ACCEPTORS;
NITRITE REDUCTASE; DNA TRANSPORT; COMB-NOV
AB The complete genomes of Thermus oshimai JL-2 and T. thermophilus JL-18 each consist of a circular chromosome, 2.07 Mb and 1.9 Mb, respectively, and two plasmids ranging from 0.27 Mb to 57.2 kb. Comparison of the T. thermophilus JL-18 chromosome with those from other strains of T. thermophilus revealed a high degree of synteny, whereas the megaplasmids from the same strains were highly plastic. The T. oshimai JL-2 chromosome and megaplasmids shared little or no synteny with other sequenced Thermus strains. Phylogenomic analyses using a concatenated set of conserved proteins confirmed the phylogenetic and taxonomic assignments based on 16S rRNA phylogenetics. Both chromosomes encode a complete glycolysis, tricarboxylic acid (TCA) cycle, and pentose phosphate pathway plus glucosidases, glycosidases, proteases, and peptidases, highlighting highly versatile heterotrophic capabilities. Megaplasmids of both strains contained a gene cluster encoding enzymes predicted to catalyze the sequential reduction of nitrate to nitrous oxide; however, the nitrous oxide reductase required for the terminal step in denitrification was absent, consistent with their incomplete denitrification phenotypes. A sox gene cluster was identified in both chromosomes, suggesting a mode of chemolithotrophy. In addition, nrf and psr gene clusters in T. oshmai JL-2 suggest respiratory nitrite ammonification and polysulfide reduction as possible modes of anaerobic respiration.
C1 [Murugapiran, Senthil K.; Lam, Jenny; McDonald, Austin I.; Dodsworth, Jeremy A.; Hedlund, Brian P.] Univ Nevada Las Vegas, Sch Life Sci, Las Vegas, NV 89154 USA.
[Huntemann, Marcel; Wei, Chia-Lin; Han, James; Chen, Amy; Kyrpides, Nikos; Mavrommatis, Konstantinos; Markowitz, Victor; Szeto, Ernest; Ivanova, Natalia; Pagani, Ioanna; Pati, Amrita; Peters, Lin; Pitluck, Sam; Woyke, Tanja] Joint Genome Inst, Dept Energy, Walnut Creek, CA USA.
[Detter, J. C.; Han, Cliff; Erkkila, Tracy H.; Teshima, Hazuki; Goodwin, Lynne] Los Alamos Natl Lab, Los Alamos, NM USA.
RP Murugapiran, SK (reprint author), Univ Nevada Las Vegas, Sch Life Sci, Las Vegas, NV 89154 USA.
RI Kyrpides, Nikos/A-6305-2014
OI Kyrpides, Nikos/0000-0002-6131-0462
FU Office of Science of the US Department of Energy [DE-AC02-05CH11231];
NSF [MCB-0546865, EPS-9977809]; Greg Fullmer through the UNLV Foundation
FX The work conducted by the US Department of Energy Joint Genome Institute
is supported by the Office of Science of the US Department of Energy
under Contract No. DE-AC02-05CH11231. Additional support was supported
by NSF Grant Numbers MCB-0546865 and EPS-9977809. We are also grateful
for support from Greg Fullmer through the UNLV Foundation.
NR 72
TC 9
Z9 9
U1 3
U2 14
PU GENOMIC STAND CONSORT
PI EAST LANSING
PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS
SCI BLDG, EAST LANSING, MI 48824 USA
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2013
VL 7
IS 3
BP 449
EP 468
DI 10.4056/sigs.3667269
PG 20
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA 203VY
UT WOS:000323323500009
PM 24019992
ER
PT J
AU Bollmann, A
Sedlacek, CJ
Norton, J
Laanbroek, HJ
Suwa, Y
Stein, LY
Klotz, MG
Arp, D
Sayavedra-Soto, L
Lu, M
Bruce, D
Detter, C
Tapia, R
Han, J
Woyke, T
Lucas, SM
Pitluck, S
Pennacchio, L
Nolan, M
Land, ML
Huntemann, M
Deshpande, S
Han, C
Chen, A
Kyrpides, N
Mavromatis, K
Markowitz, V
Szeto, E
Ivanova, N
Mikhailova, N
Pagani, I
Pati, A
Peters, L
Ovchinnikova, G
Goodwin, LA
AF Bollmann, Annette
Sedlacek, Christopher J.
Norton, Jeanette
Laanbroek, Hendrikus J.
Suwa, Yuichi
Stein, Lisa Y.
Klotz, Martin G.
Arp, Daniel
Sayavedra-Soto, Luis
Lu, Megan
Bruce, David
Detter, Chris
Tapia, Roxanne
Han, James
Woyke, Tanja
Lucas, Susan M.
Pitluck, Sam
Pennacchio, Len
Nolan, Matt
Land, Miriam L.
Huntemann, Marcel
Deshpande, Shweta
Han, Cliff
Chen, Amy
Kyrpides, Nikos
Mavromatis, Konstantinos
Markowitz, Victor
Szeto, Ernest
Ivanova, Natalia
Mikhailova, Natalia
Pagani, Ioanna
Pati, Amrita
Peters, Lin
Ovchinnikova, Galina
Goodwin, Lynne A.
TI Complete genome sequence of Nitrosomonas sp. Is79, an ammonia oxidizing
bacterium adapted to low ammonium concentrations
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE Nitrosomonas; Ammonia-oxidizing bacteria; Ammonia oxidation;
nitrification; nitrogen cycle; freshwater; oligotrophic
ID DIFFERENT SENSITIVITIES; KDP-ATPASE; RNA GENES; NOV-SP; EUROPAEA; NICHE;
MODEL; PROTEOBACTERIA; MULTIFORMIS; EXPRESSION
AB Nitrosomonas sp. Is79 is a chemolithoautotrophic ammonia-oxidizing bacterium that belongs to the family Nitrosomonadaceae within the phylum Proteobacteria. Ammonia oxidation is the first step of nitrification, an important process in the global nitrogen cycle ultimately resulting in the production of nitrate. Nitrosomonas sp. Is79 is an ammonia oxidizer of high interest because it is adapted to low ammonium and can be found in freshwater environments around the world. The 3,783,444-bp chromosome with a total of 3,553 protein coding genes and 44 RNA genes was sequenced by the DOE-Joint Genome Institute Program CSP 2006.
C1 [Bollmann, Annette; Sedlacek, Christopher J.] Miami Univ, Oxford, OH 45056 USA.
[Norton, Jeanette] Utah State Univ, Logan, UT 84322 USA.
[Laanbroek, Hendrikus J.] Netherlands Inst Ecol, Wageningen, Netherlands.
[Suwa, Yuichi] Chuo Univ, Tokyo 112, Japan.
[Stein, Lisa Y.] Univ Alberta, Edmonton, AB, Canada.
[Klotz, Martin G.] Univ N Carolina, Charlotte, NC 28223 USA.
[Arp, Daniel; Sayavedra-Soto, Luis] Oregon State Univ, Corvallis, OR 97331 USA.
[Lu, Megan; Bruce, David; Detter, Chris; Tapia, Roxanne; Han, Cliff; Goodwin, Lynne A.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Han, James; Woyke, Tanja; Lucas, Susan M.; Pitluck, Sam; Pennacchio, Len; Nolan, Matt; Huntemann, Marcel; Deshpande, Shweta; Chen, Amy; Kyrpides, Nikos; Mavromatis, Konstantinos; Markowitz, Victor; Szeto, Ernest; Ivanova, Natalia; Mikhailova, Natalia; Pagani, Ioanna; Pati, Amrita; Peters, Lin; Ovchinnikova, Galina] DOE Joint Genome Inst, Walnut Creek, CA USA.
[Land, Miriam L.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Bollmann, A (reprint author), Miami Univ, Oxford, OH 45056 USA.
RI Norton, Jeanette/G-2633-2011; Land, Miriam/A-6200-2011; Klotz,
Martin/D-2091-2009; Laanbroek, Hendrikus J./C-3830-2008; Stein,
Lisa/E-6374-2016; Kyrpides, Nikos/A-6305-2014;
OI Norton, Jeanette/0000-0002-6596-8691; Land, Miriam/0000-0001-7102-0031;
Klotz, Martin/0000-0002-1783-375X; Laanbroek, Hendrikus
J./0000-0003-2400-3399; Stein, Lisa/0000-0001-5095-5022; Kyrpides,
Nikos/0000-0002-6131-0462; Sedlacek, Christopher/0000-0002-6002-4982
FU Department of Energy Joint Genome Institute (DOE-JGI) Community
Sequencing Program; Office of Science of the U.S. Department of Energy
[DE-AC02-05CH11231]; NSF Research Coordination Network grant
(Nitrification Network) [0541797]
FX This research was funded by a grant of the Department of Energy Joint
Genome Institute (DOE-JGI) Community Sequencing Program 2006 to JMN. The
work conducted by the U.S. Department of Energy Joint Genome Institute
is supported by the Office of Science of the U.S. Department of Energy
under Contract No. DE-AC02-05CH11231. The collaborative project was
supported by NSF Research Coordination Network grant 0541797
(Nitrification Network).
NR 66
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U2 46
PU GENOMIC STAND CONSORT
PI EAST LANSING
PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS
SCI BLDG, EAST LANSING, MI 48824 USA
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2013
VL 7
IS 3
BP 469
EP 482
DI 10.4056/sigs.3517166
PG 14
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA 203VY
UT WOS:000323323500010
PM 24019993
ER
PT S
AU Torrontegui, E
Ibanez, S
Martinez-Garaot, S
Modugno, M
del Campo, A
Guery-Odelin, D
Ruschhaupt, A
Chen, X
Muga, JG
AF Torrontegui, Erik
Ibanez, Sara
Martinez-Garaot, Sofia
Modugno, Michele
del Campo, Adolfo
Guery-Odelin, David
Ruschhaupt, Andreas
Chen, Xi
Gonzalo Muga, Juan
BE Arimondo, E
Berman, PR
Lin, CC
TI Shortcuts to Adiabaticity
SO ADVANCES IN ATOMIC, MOLECULAR, AND OPTICAL PHYSICS, VOL 62
SE Advances In Atomic Molecular and Optical Physics
LA English
DT Review; Book Chapter
ID BOSE-EINSTEIN CONDENSATE; MULTIMODE WAVE-GUIDES; TIME-DEPENDENT TRAPS;
POPULATION TRANSFER; MODE CONVERSION; GEOMETRIC PHASE; WIGNER FUNCTION;
HARMONIC TRAPS; QUANTUM STATES; DYNAMICS
AB Quantum adiabatic processes that keep constant the populations in the instantaneous eigenbasis of a time-dependent Hamiltonian are very useful to prepare and manipulate states, but take typically a long time. This is often problematic because decoherence and noise may spoil the desired final state, or because some applications require many repetitions. "Shortcuts to adiabaticity" are alternative fast processes which reproduce the same final populations, or even the same final state, as the adiabatic process in a finite, shorter time. Since adiabatic processes are ubiquitous, the shortcuts span a broad range of applications in atomic, molecular, and optical physics, such as fast transport of ions or neutral atoms, internal population control, and state preparation (for nuclear magnetic resonance or quantum information), cold atom expansions and other manipulations, cooling cycles, wavepacket splitting, and many-body state engineering or correlations microscopy. Shortcuts are also relevant to clarify fundamental questions such as a precise quantification of the third principle of thermodynamics and quantum speed limits. We review different theoretical techniques proposed to engineer the shortcuts, the experimental results, and the prospects.
C1 [Torrontegui, Erik; Ibanez, Sara; Martinez-Garaot, Sofia; Chen, Xi; Gonzalo Muga, Juan] Univ Basque Country, Dept Quim Fis, Euskal Herriko Unibertsitatea, E-48080 Bilbao, Spain.
[Modugno, Michele] Univ Basque Country, Dept Fis Teor & Hist Ciencia, Euskal Herriko Unibertsitatea, E-48080 Bilbao, Spain.
[Modugno, Michele] Basque Fdn Sci, IKERBASQUE, Bilbao 48011, Spain.
[del Campo, Adolfo] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA.
[del Campo, Adolfo] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
[Guery-Odelin, David] Univ Toulouse 3, Lab Collis Agregats React, CNRS UMR 5589, IRSAMC, F-31062 Toulouse 4, France.
[Ruschhaupt, Andreas] Natl Univ Ireland Univ Coll Cork, Dept Phys, Cork, Ireland.
[Chen, Xi; Gonzalo Muga, Juan] Shanghai Univ, Dept Phys, Shanghai 200444, Peoples R China.
RP Torrontegui, E (reprint author), Univ Basque Country, Dept Quim Fis, Euskal Herriko Unibertsitatea, Apdo 644, E-48080 Bilbao, Spain.
RI Guery-Odelin, David/G-6311-2012; del Campo, Adolfo/B-8439-2009; Modugno,
Michele/A-6218-2009
OI del Campo, Adolfo/0000-0003-2219-2851; Modugno,
Michele/0000-0002-0532-1423
NR 167
TC 174
Z9 175
U1 11
U2 68
PU ELSEVIER ACADEMIC PRESS INC
PI SAN DIEGO
PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA
SN 1049-250X
BN 978-0-12-408090-4
J9 ADV ATOM MOL OPT PHY
JI Adv. Atom. Mol. Opt. Phys.
PY 2013
VL 62
BP 117
EP 169
DI 10.1016/B978-0-12-408090-4.00002-5
PG 53
WC Optics; Physics, Atomic, Molecular & Chemical
SC Optics; Physics
GA BGI23
UT WOS:000323088400003
ER
PT S
AU Young, AL
Kemme, SA
Wendt, JR
Carter, TR
Samora, S
AF Young, A. L.
Kemme, S. A.
Wendt, J. R.
Carter, T. R.
Samora, S.
BE Hasan, ZU
Hemmer, PR
Lee, H
Santori, CM
TI High Numerical Aperture Diffractive Optical Elements for Neutral Atom
Quantum Computing
SO ADVANCES IN PHOTONICS OF QUANTUM COMPUTING, MEMORY, AND COMMUNICATION VI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Photonics of Quantum Computing, Memory, and
Communication VI
CY FEB 04-07, 2013
CL San Francisco, CA
SP SPIE
DE diffractive optical elements; large numerical aperture; quantum
computing; quantum information processing; neutral atom trapping;
scalability
ID MICROSCOPIC DIPOLE TRAP; BOTTLE BEAM TRAP; SINGLE ATOMS; ARRAYS
AB The viability of neutral atom based quantum computers is dependent upon scalability to large numbers of qubits. Diffractive optical elements (DOEs) offer the possibility to scale up to many qubit systems by enabling the manipulation of light to collect signal or deliver a tailored spatial trapping pattern. DOEs have an advantage over refractive micro-optics since they do not have measurable surface sag, making significantly larger numerical apertures (NA) accessible with a smaller optical component. The smaller physical size of a DOE allows the micro-lenses to be placed in vacuum with the atoms, reducing aberration effects that would otherwise be introduced by the cell walls of the vacuum chamber. The larger collection angle accessible with DOEs enable faster quantum computation speeds.
We have designed a set of DOEs for collecting the 852 nm fluorescence from the D2 transition in trapped cesium atoms, and compare these DOEs to several commercially available refractive micro-lenses. The largest DOE is able to collect over 20% of the atom's radiating sphere whereas the refractive micro-optic is able to collect just 8% of the atom's radiating sphere.
C1 [Young, A. L.; Kemme, S. A.; Wendt, J. R.; Carter, T. R.; Samora, S.] Sandia Natl Labs, Albuquerque, NM 87111 USA.
RP Young, AL (reprint author), Sandia Natl Labs, Albuquerque, NM 87111 USA.
NR 25
TC 0
Z9 0
U1 1
U2 8
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9404-7
J9 PROC SPIE
PY 2013
VL 8635
AR 86350L
DI 10.1117/12.2005388
PG 12
WC Optics; Physics, Multidisciplinary
SC Optics; Physics
GA BGH35
UT WOS:000322965700009
ER
PT J
AU Hsieh, WC
Collins, WD
Liu, Y
Chiang, JCH
Shie, CL
Caldeira, K
Cao, L
AF Hsieh, W. -C.
Collins, W. D.
Liu, Y.
Chiang, J. C. H.
Shie, C. -L.
Caldeira, K.
Cao, L.
TI Climate response due to carbonaceous aerosols and aerosol-induced SST
effects in NCAR community atmospheric model CAM3.5
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID CIRCULATION; MONSOON; SATELLITE; IMPACTS; CLOUDS; CYCLE
AB This study used the Community Atmospheric Model 3.5 (CAM3.5) to investigate the effects of carbonaceous aerosols on climate. The simulations include control runs with 3 times the mass of carbonaceous aerosols as compared to the model's default carbonaceous aerosol mass, as well as no-carbon runs in which carbonaceous aerosols were removed. The slab ocean model (SOM) and the fixed sea surface temperature (SST) were used to examine effects of ocean boundary conditions. Throughout this study, climate response induced by aerosol forcing was mainly analyzed in the following three terms: (1) aerosol radiative effects under fixed SST, (2) effects of aerosol-induced SST feedbacks, and (3) total effects including effects of aerosol forcing and SST feedbacks. The change of SST induced by aerosols has large impacts on distribution of climate response; the magnitudes in response patterns such as temperature, precipitation, zonal winds, mean meridional circulation, radiative fluxes, and cloud coverage are different between the SOM and fixed SST runs. Moreover, different spatial responses between the SOM and fixed SST runs can also be seen in some local areas. This implies the importance of SST feedbacks on simulated climate response. The aerosol dimming effects cause a cooling predicted at low layers near the surface in most carbonaceous aerosol source regions. The temperature response shows a warming (cooling) predicted in the north (south) high latitudes, suggesting that aerosol forcing can cause climate change in regions far away from its origins. Our simulation results show that direct and semidirect radiative forcing due to carbonaceous aerosols decreases rainfall in the tropics. This implies that carbonaceous aerosols have possibly strong influence on weakening of the tropical circulation. Most changes in precipitation are negatively correlated with changes of radiative fluxes at the top of model. The changes in radiative fluxes at top of model are physically consistent with the response patterns in cloud fields. On global average, low-level cloud coverage increases, and mid-and high-level cloud coverage decreases in response to changes in radiative energy induced by aerosol forcing. An approximated moisture budget equation was analyzed in order to understand physical mechanism of precipitation changes induced by carbonaceous aerosols. Our results show that changes in tropical precipitation are mainly dominated are mainly dominated by the dynamic effect (i.e., vertical moisture transport carried by the perturbed flow).
C1 [Hsieh, W. -C.; Collins, W. D.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.
[Collins, W. D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Liu, Y.; Chiang, J. C. H.] Univ Calif Berkeley, Dept Geog, Berkeley, CA 94720 USA.
[Liu, Y.; Chiang, J. C. H.] Univ Calif Berkeley, Berkeley Atmospher Sci Ctr, Berkeley, CA 94720 USA.
[Shie, C. -L.] Univ Maryland Baltimore Cty, Joint Ctr Earth Syst Technol, Baltimore, MD 21228 USA.
[Caldeira, K.] Carnegie Inst Sci, Dept Global Ecol, Stanford, CA 94305 USA.
[Cao, L.] Zhejiang Univ, Dept Earth Sci, Hangzhou 310027, Zhejiang, Peoples R China.
RP Hsieh, WC (reprint author), Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.
EM hsiehweichun@gmail.com
RI Collins, William/J-3147-2014; Caldeira, Ken/E-7914-2011
OI Collins, William/0000-0002-4463-9848;
FU Contractor Supporting Research (CSR); Berkeley Lab; Office of Science,
of the US Department of Energy [DE-AC02-05CH11231]; National Science
Foundation Science and Technology Center for Multiscale Modeling of
Atmospheric Processes, CMMAP [ATM-0425247]; NSF
FX This work was supported by Contractor Supporting Research (CSR) funding
from Berkeley Lab, provided by the director, Office of Science, of the
US Department of Energy under contract no. DE-AC02-05CH11231. This
material is also supported by the National Science Foundation Science
and Technology Center for Multiscale Modeling of Atmospheric Processes,
CMMAP, managed by Colorado State University under cooperative agreement
no. ATM-0425247. The National Center for Atmospheric Research is
sponsored by the NSF. We would also like to acknowledge support for
high-performance computing provided by NCAR's Computational and
Information Systems Laboratory, sponsored by the NSF. We thank the
editors for their comments and the reviewers for their suggestions,
which largely improved the content of this paper.
NR 30
TC 7
Z9 7
U1 3
U2 12
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2013
VL 13
IS 15
BP 7489
EP 7510
DI 10.5194/acp-13-7489-2013
PG 22
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 200XE
UT WOS:000323103900015
ER
PT J
AU Takahashi, Y
Furukawa, T
Kanai, Y
Uematsu, M
Zheng, G
Marcus, MA
AF Takahashi, Y.
Furukawa, T.
Kanai, Y.
Uematsu, M.
Zheng, G.
Marcus, M. A.
TI Seasonal changes in Fe species and soluble Fe concentration in the
atmosphere in the Northwest Pacific region based on the analysis of
aerosols collected in Tsukuba, Japan
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID IRON SOLUBILITY; CHEMICAL-CHARACTERIZATION; ANTHROPOGENIC SOURCES;
STABILITY-CONSTANTS; FINE PARTICLES; MINERAL DUST; SPECIATION;
TRANSPORT; OCEAN; SPECTROSCOPY
AB Atmospheric iron (Fe) can be a significant source of nutrition for phytoplankton inhabiting remote oceans, which in turn has a large influence on the Earth's climate. The bioavailability of Fe in aerosols depends mainly on the fraction of soluble Fe (=[Fe-Sol]/[Fe-Total], where [FeSol] and [FeTotal] are the atmospheric concentrations of soluble and total Fe, respectively). However, the numerous factors affecting the soluble Fe fraction have not been fully understood. In this study, the Fe species, chemical composition, and soluble Fe concentrations in aerosols collected in Tsukuba, Japan were investigated over a year (nine samples from December 2002 to October 2003) to identify the factors affecting the amount of soluble Fe supplied into the ocean. The soluble Fe concentration in aerosols is correlated with those of sulfate and oxalate originated from anthropogenic sources, suggesting that soluble Fe is mainly derived from anthropogenic sources. Moreover, the soluble Fe concentration is also correlated with the enrichment factors of vanadium and nickel emitted by fossil fuel combustion. These results suggest that the degree of Fe dissolution is influenced by the magnitude of anthropogenic activity, such as fossil fuel combustion.
X-ray absorption fine structure (XAFS) spectroscopy was performed in order to identify the Fe species in aerosols. Fitting of XAFS spectra coupled with micro X-ray fluorescence analysis (mu-XRF) showed the main Fe species in aerosols in Tsukuba to be illite, ferrihydrite, hornblende, and Fe(III) sulfate. Moreover, the soluble Fe fraction in each sample measured by leaching experiments is closely correlated with the Fe(III) sulfate fraction determined by the XAFS spectrum fitting, suggesting that Fe(III) sulfate is the main soluble Fe in the ocean. Another possible factor that can control the amount of soluble Fe supplied into the ocean is the total Fe(III) concentration in the atmosphere, which was high in spring due to the high mineral dust concentrations during spring in East Asia. However, this factor does not contribute to the amount of soluble Fe to a larger degree than the effect of Fe speciation, or more strictly speaking the presence of Fe(III) sulfate. Therefore, based on these results, the most significant factor influencing the amount of soluble Fe in the North Pacific region is the concentration of anthropogenic Fe species such as Fe(III) sulfate that can be emitted from megacities in Eastern Asia.
C1 [Takahashi, Y.; Furukawa, T.] Hiroshima Univ, Grad Sch Sci, Dept Earth & Planetary Syst Sci, Hiroshima 7398526, Japan.
[Takahashi, Y.; Uematsu, M.] Univ Tokyo, Atmosphere & Ocean Res Inst, Kashiwa, Chiba 2778564, Japan.
[Takahashi, Y.; Zheng, G.] Chinese Acad Sci, Key Lab Petr Resources, Lanzhou 730000, Peoples R China.
[Kanai, Y.] Natl Inst Adv Ind Sci & Technol, Geol Survey Japan, Tsukuba, Ibaraki 3058567, Japan.
[Marcus, M. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Takahashi, Y (reprint author), Hiroshima Univ, Grad Sch Sci, Dept Earth & Planetary Syst Sci, Hiroshima 7398526, Japan.
EM ytakaha@hiroshima-u.ac.jp
RI Takahashi, Yoshio/F-6733-2011
FU Director of the Office of Science, Office of Basic Energy Sciences, US
Department of Energy [DE-AC02-05CH11231]; Chinese Academy of Sciences
Visiting Professorship for Senior International Scientists
[2012T1Z0035]; National Natural Science Foundation of China [41273112]
FX We are grateful to H. Kamioka, S. Yabuki, and A. Ohta for collecting the
aerosol samples for the ADEC project. This research was supported by a
Grant-in-Aid for Scientific Research in Priority Areas, "Western Pacific
Air-Sea Interaction Study (W-PASS)." This work was performed with the
approval of KEK-PF (2011G197, 2011G644, and 2012G111) and SPring-8
(2012A1240 and 2002B1428). This research is a contribution to the
Surface Ocean Lower Atmosphere Study (SOLAS). The operations of the
Advanced Light Source at the Lawrence Berkeley National Laboratory are
supported by the Director of the Office of Science, Office of Basic
Energy Sciences, US Department of Energy under contract number
DE-AC02-05CH11231. This study was also partially supported by Chinese
Academy of Sciences Visiting Professorship for Senior International
Scientists (Grant No. 2012T1Z0035) and National Natural Science
Foundation of China (No. 41273112).
NR 66
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U1 6
U2 37
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2013
VL 13
IS 15
BP 7695
EP 7710
DI 10.5194/acp-13-7695-2013
PG 16
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 200XE
UT WOS:000323103900027
ER
PT J
AU Jin, HJ
Daly, DS
Marks, JR
Zangar, RC
AF Jin, Hongjun
Daly, Don S.
Marks, Jeffrey R.
Zangar, Richard C.
TI Oxidatively modified proteins as plasma biomarkers in breast cancer
SO CANCER BIOMARKERS
LA English
DT Article
DE Breast cancer; biomarkers; reactive oxygen species; protein adducts;
hydroxynonenal; glutathione; plasma
ID MAMMARY EPITHELIAL-CELLS; GROWTH-FACTOR RECEPTOR; CARCINOGENESIS;
MICROARRAYS; AUTOCRINE; OXIDANTS; PROMAT; TOOL
AB BACKGROUND: Post-translational protein modifications (PTMs) are increased in breast tumors.
OBJECTIVE: We explored whether PTMs on proteins secreted by the breast could be detected in plasma and potentially used for the early detection of breast cancer.
METHODS: We used a custom ELISA microarray platform to measure 4-hydroxynonenal (HNE), glutathione (GSH), nitrotyrosine and halotyrosine adducts in 27 secreted proteins, for a total of 108 candidate biomarkers. Two independent sets of human plasma samples were measured, for a total of 160 samples. The results were analyzed for consistent cancer-associated changes across the two sample sets. Plasma samples for both cases and benign controls were collected at the time of tissue diagnosis after referral from a positive screen (such as mammography). The results from both studies were evaluated using ANOVA and t-tests or receiver operator curves (ROC).
RESULTS: Levels of GSH-modified ceruloplasmin and HNE-modified PDGF were significantly altered in plasma samples from cancer patients relative to benign controls. Healthy controls, which were only included in the first set of samples, were similar to the benign controls for both of these markers. A combination of three glutathionylated proteins produced the best area under the ROC curve, with a value of 76%.
CONCLUSIONS: Specific PTMs in individual proteins may be useful for distinguishing between women with breast cancer and those with benign breast disease. These oxidative changes in plasma proteins may reflect redox changes in breast cancer. Additional studies on oxidative modifications in individual proteins are warranted.
C1 [Jin, Hongjun; Daly, Don S.; Zangar, Richard C.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Jin, Hongjun] Washington Univ, Sch Med, Div Radiol Sci, St Louis, MO USA.
[Marks, Jeffrey R.] Duke Univ, Med Ctr, Dept Surg, Durham, NC 27710 USA.
RP Zangar, RC (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA.
EM richard.zangar@pnnl.gov
FU NIH [U01 CA117378, UO1 CA084955]; US Department of Defense BCRP
Postdoctoral Fellowship [W81XWH-10-1-0031]
FX This research was supported by NIH U01 CA117378 (RCZ), NIH UO1 CA084955
(JRM), and a US Department of Defense BCRP Postdoctoral Fellowship
W81XWH-10-1-0031 (HJ).
NR 31
TC 3
Z9 3
U1 0
U2 2
PU IOS PRESS
PI AMSTERDAM
PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS
SN 1574-0153
EI 1875-8592
J9 CANCER BIOMARK
JI Cancer Biomark.
PY 2013
VL 13
IS 3
BP 193
EP 200
DI 10.3233/CBM-130349
PG 8
WC Oncology
SC Oncology
GA 195QQ
UT WOS:000322719100008
PM 23912491
ER
PT J
AU Britt, D
AF Britt, David
TI Comment on "Nickel nanoparticles catalyse reversible hydration of carbon
dioxide for mineralization carbon capture and storage" by G. Bhaduri and
L. Siller, Catal. Sci. Technol., 2013, 3, 1234
SO CATALYSIS SCIENCE & TECHNOLOGY
LA English
DT Editorial Material
C1 Lawrence Berkeley Natl Lab, Berkeley, CA 94530 USA.
RP Britt, D (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94530 USA.
EM DavidKBritt@gmail.com
NR 2
TC 3
Z9 3
U1 5
U2 28
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2044-4753
J9 CATAL SCI TECHNOL
JI Catal. Sci. Technol.
PY 2013
VL 3
IS 9
BP 2195
EP 2196
DI 10.1039/c3cy00142c
PG 2
WC Chemistry, Physical
SC Chemistry
GA 196MR
UT WOS:000322780200003
ER
PT J
AU Lu, J
Martinez-Macias, C
Aydin, C
Browning, ND
Gates, BC
AF Lu, Jing
Martinez-Macias, Claudia
Aydin, Ceren
Browning, Nigel D.
Gates, Bruce C.
TI Zeolite-supported bimetallic catalyst: controlling selectivity of
rhodium complexes by nearby iridium complexes
SO CATALYSIS SCIENCE & TECHNOLOGY
LA English
DT Article
ID DEALUMINATED Y-ZEOLITE; CHEMISTRY; HYDROGENATION; ISOMERIZATION;
SPECTROSCOPY; SPILLOVER; STRATEGY; CLUSTERS; ALUMINA; MGO
AB Rh(C2H4)(2) complexes supported on HY zeolite selectively catalyze ethylene dimerization in the presence of H-2, but iridium complexes anchored near the rhodium alter the selectivity by spilling over hydrogen that limits the adsorption of ethylene on Al-OH sites that act in concert with the rhodium sites, thereby triggering the rhodium complexes to operate as hydrogenation rather than dimerization catalysts.
C1 [Lu, Jing; Martinez-Macias, Claudia; Aydin, Ceren; Browning, Nigel D.; Gates, Bruce C.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA.
[Browning, Nigel D.] Pacific NW Natl Lab, Fundamental & Computat Sci Div, Richland, WA 99352 USA.
RP Lu, J (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA.
EM bcgates@ucdavis.edu
RI ID, MRCAT/G-7586-2011;
OI Browning, Nigel/0000-0003-0491-251X
FU Department of Energy (DOE), Office of Science, Basic Energy Sciences
[DE-FG02-04ER15513, DE-FG02-03ER46057]; University of California Lab Fee
Program; UC MEXUS-CONACYT doctoral fellowship program
FX This work was supported by the Department of Energy (DOE), Office of
Science, Basic Energy Sciences, Grant Nos. DE-FG02-04ER15513 (J.L. and
C.M.M.) and DE-FG02-03ER46057 (C.A.), and the University of California
Lab Fee Program. C.M.M was partially supported by the UC MEXUS-CONACYT
doctoral fellowship program. We acknowledge beam time and the support of
the DOE Division of Materials Sciences for its role in the operation and
development of beamline MR-CAT at the Advanced Photon Source at Argonne
National Laboratory. We thank the beamline staff for valuable support.
NR 36
TC 5
Z9 5
U1 1
U2 17
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2044-4753
J9 CATAL SCI TECHNOL
JI Catal. Sci. Technol.
PY 2013
VL 3
IS 9
BP 2199
EP 2203
DI 10.1039/c3cy00113j
PG 5
WC Chemistry, Physical
SC Chemistry
GA 196MR
UT WOS:000322780200005
ER
PT J
AU Hoffert, WA
Roberts, JAS
Bullock, RM
Helm, ML
AF Hoffert, Wesley A.
Roberts, John A. S.
Bullock, R. Morris
Helm, Monte L.
TI Production of H-2 at fast rates using a nickel electrocatalyst in
water-acetonitrile solutions
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID HYDROGEN-PRODUCTION; CATALYTIC RATES; PENDANT AMINES; ACTIVE-SITE;
COMPLEXES; COBALT; OXIDATION; GENERATION; REDUCTION
AB We report a synthetic nickel complex containing proton relays, [Ni((P2N2C6H4OH)-N-Ph)(2)](BF4)(2) ((P2N2C6H4OH)-N-Ph = 1,5-bis(p-hydroxyphenyl)-3,7- diphenyl-1,5-diaza-3,7-diphosphacyclo-octane), that catalyzes the production of H-2 in aqueous acetonitrile with turnover frequencies of 750-170 000 s(-1) at experimentally determined overpotentials of 310-470 mV.
C1 [Hoffert, Wesley A.; Roberts, John A. S.; Bullock, R. Morris; Helm, Monte L.] Pacific NW Natl Lab, Div Phys Sci, Ctr Mol Electrocatalysis, Richland, WA 99352 USA.
RP Helm, ML (reprint author), Pacific NW Natl Lab, Div Phys Sci, Ctr Mol Electrocatalysis, POB 999K2-57, Richland, WA 99352 USA.
EM Monte.Helm@pnnl.gov
RI Bullock, R. Morris/L-6802-2016
OI Bullock, R. Morris/0000-0001-6306-4851
FU Center for Molecular Electrocatalysis, an Energy Frontier Research
Center; U.S. Department of Energy, Office of Science, Office of Basic
Energy Sciences
FX We thank Dr Jonathan M. Darmon and Dr Charles J. Weiss for their
assistance with the graphical abstract. This research was supported as
part of the Center for Molecular Electrocatalysis, an Energy Frontier
Research Center funded by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences. Pacific Northwest National
Laboratory is operated by Battelle for the U.S. Department of Energy.
NR 31
TC 38
Z9 38
U1 2
U2 37
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
EI 1364-548X
J9 CHEM COMMUN
JI Chem. Commun.
PY 2013
VL 49
IS 71
BP 7767
EP 7769
DI 10.1039/c3cc43203c
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 198IF
UT WOS:000322915200001
PM 23743801
ER
PT J
AU Grubbs, RB
Sun, Z
AF Grubbs, Robert B.
Sun, Zhe
TI Shape-changing polymer assemblies
SO CHEMICAL SOCIETY REVIEWS
LA English
DT Review
ID SPHERE-TO-ROD; AMPHIPHILIC BLOCK-COPOLYMERS; TRIBLOCK COPOLYMER;
AQUEOUS-SOLUTIONS; MICELLE TRANSITION; WORMLIKE MICELLES; MEMORY
POLYMERS; CANCER-THERAPY; OXIDE) BLOCK; NANOPARTICLES
AB A panoply of stimuli-sensitive polymorphic polymer assemblies has been constructed through the intentional synthesis of amphiphilic block copolymers comprising hydrophilic, stimulus-responsive, and hydrophobic blocks. Transformations among canonical micellar forms of polymer assemblies-spherical micelles, wormlike micelles, and vesicles (polymersomes)-have been demonstrated with a number of synthetic systems. This review discusses recent progress in the development and understanding of these systems with a focus on open questions about kinetics of shape change, effects of block copolymer architecture on the rate and nature of the transformation, and potential applications.
C1 [Grubbs, Robert B.; Sun, Zhe] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
[Grubbs, Robert B.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
RP Grubbs, RB (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
EM robert.grubbs@stonybrook.edu
FU NSF [DMR-1105622]
FX The NSF (DMR-1105622) is acknowledged for partial financial support of
the work from our group described in this review.
NR 69
TC 31
Z9 31
U1 5
U2 150
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0306-0012
EI 1460-4744
J9 CHEM SOC REV
JI Chem. Soc. Rev.
PY 2013
VL 42
IS 17
BP 7436
EP 7445
DI 10.1039/c3cs60079c
PG 10
WC Chemistry, Multidisciplinary
SC Chemistry
GA 196NQ
UT WOS:000322782700022
PM 23801143
ER
PT J
AU Rumberger, EMW
Ahn, HS
Bell, AT
Tilley, TD
AF Rumberger, Evan M. W.
Ahn, Hyun S.
Bell, Alexis T.
Tilley, T. Don
TI Water oxidation catalysis via immobilization of the dimanganese complex
[Mn-2(mu-O)(2)Cl(mu-O2CCH3)-(bpy)(2)(H2O)](NO3)(2) onto silica
SO DALTON TRANSACTIONS
LA English
DT Article
ID OXYGEN-EVOLVING COMPLEX; SOLAR-ENERGY CONVERSION; O BOND FORMATION;
PHOTOSYSTEM-II; ELECTRONIC-STRUCTURE; MANGANESE CATALASE;
FUNCTIONAL-MODEL; ARTIFICIAL PHOTOSYNTHESIS; RENEWABLE ENERGY; CLAY
COMPOUNDS
AB Adsorption of a dinuclear mu-oxo bridged Mn complex onto mesoporous silica was observed when SBA15 was treated with an acetonitrile solution of [Mn-2(mu-O)(2)Cl(mu-O2CCH3)(H2O)(bpy)(2)](NO3)(2) (1). This complex was immobilized via the displacement of NO3- into solution, and characterization by spectroscopic (DRIFTS and DRUV-vis) and magnetic data indicates that the intact dication is electrostatically bound to the silica surface. Loadings of up to 4.1% by weight of [Mn-2(mu-O)(2)Cl(mu-O2CCH3)(H2O)(bpy)(2)](2+) were achieved. TEM images of the grafted material revealed retention of the mesoporous structure of SBA15, and no clusters of manganese greater than ca. 10 nm were observed. The SBA15-supported dimanganese complex functions as a catalyst for the oxidation of H2O with (NH4)(2)Ce(NO3)(6) as stoichiometric oxidant. In contrast, homogenous aqueous solutions of 1 do not evolve oxygen upon treatment with (NH4)(2)Ce(NO3)(6). Labeling studies with (H2O)-O-18 confirm that the oxygen formed in this catalysis is derived from water. Monitoring the O-2 evolution allowed determination of an initial rate for the catalysis (TOFi = 1.1 x 10(-3) s(-1)). These studies also reveal a first order dependence on manganese surface concentration, and a zero order rate dependence for (NH4)Ce(NO3)(6). Spectroscopic investigations were employed to investigate the difference in activities between dissolved and supported dimanganese complexes.
C1 [Rumberger, Evan M. W.; Ahn, Hyun S.; Bell, Alexis T.; Tilley, T. Don] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Rumberger, Evan M. W.; Ahn, Hyun S.; Bell, Alexis T.; Tilley, T. Don] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA.
[Rumberger, Evan M. W.; Ahn, Hyun S.; Bell, Alexis T.; Tilley, T. Don] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Bell, AT (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM bell@cchem.berkeley.edu; tdtilley@berkeley.edu
FU Office of Basic Energy Sciences of the US Department of Energy
[DE-AC02-05CH11231]
FX This work was supported by the Director, Office of Science, Office of
Basic Energy Sciences of the US Department of Energy under contract no.
DE-AC02-05CH11231 .
NR 71
TC 6
Z9 6
U1 2
U2 32
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2013
VL 42
IS 34
BP 12238
EP 12247
DI 10.1039/c3dt51472b
PG 10
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 196MP
UT WOS:000322780000023
PM 23861177
ER
PT J
AU Garsany, Y
Epshteyn, A
More, KL
Swider-Lyons, KE
AF Garsany, Yannick
Epshteyn, Albert
More, Karren L.
Swider-Lyons, Karen E.
TI Oxygen Electroreduction on Nanoscale Pt/[TaOPO4/VC] and Pt/[Ta2O5/VC] in
Alkaline Electrolyte
SO ECS ELECTROCHEMISTRY LETTERS
LA English
DT Article
ID ROTATING-DISC ELECTRODE; TANTALUM OXYPHOSPHATE; PLATINUM-ELECTRODES;
REDUCTION ACTIVITY; ELECTROCATALYSIS; CATALYSTS; NANOPARTICLES;
SURFACES; CARBON; MEDIA
AB The ORR on Pt in an alkaline electrolyte is studied for the impact of support effects. Platinum nanoparticles are supported on nanoscale tantalum oxyphosphate or tantalum oxide films on Vulcan carbon (VC) to make either Pt/[TaOPO4/VC] or Pt/[Ta2O5/VC] electrocatalysts, which were then characterized with BF-STEM. Their ORR activity was determined by RDE methodology in 0.10 M KOH electrolyte. The Pt mass activities of the Pt/[TaOPO4/VC] and Pt/[Ta2O5/VC] electrocatalysts are both approximately 250 mA mg(Pt)(-1) at 0.925 V, or about 2 x greater than that of a commercial Pt/VC electrocatalyst (120 mA mg(Pt)(-1)), implying a substantial effect of the Ta-based support films. (c) 2013 The Electrochemical Society. All rights reserved.
C1 [Garsany, Yannick] Excet Inc, Springfield, VA 22151 USA.
[Garsany, Yannick; Epshteyn, Albert; Swider-Lyons, Karen E.] US Naval Res Lab, Washington, DC 20375 USA.
[More, Karren L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Garsany, Y (reprint author), Excet Inc, Springfield, VA 22151 USA.
EM yannick.garsany.ctr.fr@nrl.navy.mil
RI More, Karren/A-8097-2016
OI More, Karren/0000-0001-5223-9097
FU Office of Naval Research; Oak Ridge National Laboratory's Shared
Research Equipment (ShaRE) User Facility; Office of Basic Energy
Sciences, the U.S. Department of Energy
FX The authors are grateful to the Office of Naval Research for financial
support of this project. Electron microscopy was supported by Oak Ridge
National Laboratory's Shared Research Equipment (ShaRE) User Facility,
which is sponsored by the Office of Basic Energy Sciences, the U.S.
Department of Energy.
NR 20
TC 2
Z9 2
U1 3
U2 12
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 2162-8726
J9 ECS ELECTROCHEM LETT
JI ECS Electrochem. Lett.
PY 2013
VL 2
IS 10
BP H46
EP H50
DI 10.1149/2.012310eel
PG 5
WC Electrochemistry; Materials Science, Multidisciplinary
SC Electrochemistry; Materials Science
GA 199JW
UT WOS:000322991800012
ER
PT S
AU Peters, DW
Boye, RR
Kemme, SA
AF Peters, David W.
Boye, Robert R.
Kemme, Shanalyn A.
BE ChangHasnain, CJ
Koyama, F
Willner, AE
Zhou, W
TI Angular sensitivity of guided mode resonant filters in classical and
conical mounts
SO HIGH CONTRAST METASTRUCTURES II
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on High Contrast Metastructures II
CY FEB 05-07, 2013
CL San Francisco, CA
SP SPIE
DE guided mode resonance; subwavelength; filter
ID SUBWAVELENGTH GRATINGS; NARROW-BAND; BIOSENSORS
AB The angular sensitivity of guided mode resonant filters (GMRF) is well known. While at times useful for angle tuning of the response, this sensitivity can also be a major detriment as angular changes of tenths of a degree can shift the wavelength response in a narrow bandwidth device by an amount greater than the width of the resonance peak. We identify geometries where the resonance is more angularly stable, demonstrating high reflectivity at the design wavelength for several degrees in both azimuth and inclination angular directions with virtually no change in lineshape of the response.
The investigation of GMRFs in both classical and conical mounts through simulation using rigorous coupled wave analysis reveals that there are preferred mounts for greater angular tolerance. We simulate a grating at telecom wavelengths using a design that we have previously fabricated. The identical grating placed in different mounts can exhibit angular tolerances that differ by well over an order of magnitude (60x). The most commonly used classical mount has a much more sensitive angular tolerance than does the conical mount. The lineshape of the resonant response shows only negligible changes across the angular band. The angular band for the sample grating is simulated to be several degrees in the conical mount as opposed to a tenth of a degree in the classical mount. We could thus expand the application space for narrow-band GMRFs into areas where angular tolerance cannot be controlled to the degree that we have believed required in the past.
C1 [Peters, David W.; Boye, Robert R.; Kemme, Shanalyn A.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Peters, DW (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
NR 16
TC 3
Z9 3
U1 0
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9402-3
J9 PROC SPIE
PY 2013
VL 8633
AR 86330W
DI 10.1117/12.2005122
PG 6
WC Optics; Physics, Multidisciplinary
SC Optics; Physics
GA BGH39
UT WOS:000322969400021
ER
PT S
AU Bingham, P
Polsky, Y
Anovitz, L
AF Bingham, Philip
Polsky, Yarom
Anovitz, Lawrence
BE Bingham, PR
Lam, EY
TI Neutron imaging for geothermal energy systems
SO IMAGE PROCESSING: MACHINE VISION APPLICATIONS VI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Image Processing - Machine Vision Applications VI
CY FEB 05-06, 2013
CL Burlingame, CA
SP Soc Imaging Sci & Technol (IS&T), SPIE, Qualcomm Inc
DE Neutron radiography; Geothermal Energy
ID RADIOGRAPHY
AB Geothermal systems extract heat energy from the interior of the earth using a working fluid, typically water. Three components are required for a commercially viable geothermal system: heat, fluid, and permeability. Current commercial electricity production using geothermal energy occurs where the three main components exist naturally. These are called hydrothermal systems. In the US, there is an estimated 30 GW of base load electrical power potential for hydrothermal sites. Next generation geothermal systems, named Enhanced Geothermal Systems (EGS), have an estimated potential of 4500 GW. EGSs lack in-situ fluid, permeability or both. As such, the heat exchange system must be developed or "engineered" within the rock. The envisioned method for producing permeability in the EGS reservoir is hydraulic fracturing, which is rarely practiced in the geothermal industry, and not well understood for the rocks typically present in geothermal reservoirs. High costs associated with trial and error learning in the field have led to an effort to characterize fluid flow and fracturing mechanisms in the laboratory to better understand how to design and manage EGS reservoirs. Neutron radiography has been investigated for potential use in this characterization. An environmental chamber has been developed that is suitable for reproduction of EGS pressures and temperatures and has been tested for both flow and precipitations studies with success for air/liquid interface imaging and 3D reconstruction of precipitation within the core.
C1 [Bingham, Philip; Polsky, Yarom; Anovitz, Lawrence] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Bingham, P (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RI Anovitz, Lawrence/P-3144-2016;
OI Anovitz, Lawrence/0000-0002-2609-8750; Bingham,
Philip/0000-0003-4616-6084
NR 4
TC 0
Z9 0
U1 0
U2 7
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9434-4
J9 PROC SPIE
PY 2013
VL 8661
AR 86610K
DI 10.1117/12.2004617
PG 8
WC Computer Science, Artificial Intelligence; Computer Science,
Cybernetics; Optics; Imaging Science & Photographic Technology
SC Computer Science; Optics; Imaging Science & Photographic Technology
GA BFX76
UT WOS:000321820300018
ER
PT S
AU Dillard, SE
Henry, MJ
Bohn, S
Gosink, LJ
AF Dillard, Scott E.
Henry, Michael J.
Bohn, Shawn
Gosink, Luke J.
BE Bingham, PR
Lam, EY
TI Coherent Image Layout using an Adaptive Visual Vocabulary
SO IMAGE PROCESSING: MACHINE VISION APPLICATIONS VI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Image Processing - Machine Vision Applications VI
CY FEB 05-06, 2013
CL Burlingame, CA
SP Soc Imaging Sci & Technol (IS&T), SPIE, Qualcomm Inc
DE Image Browsing; Hierarchical Clustering; Bag of Features
AB When querying a huge image database containing millions of images, the result of the query may still contain many thousands of images that need to be presented to the user. We consider the problem of arranging such a large set of images into a visually coherent layout, one that places similar images next to each other. Image similarity is determined using a bag-of-features model, and the layout is constructed from a hierarchical clustering of the image set by mapping an in-order traversal of the hierarchy tree into a space-filling curve. This layout method provides strong locality guarantees so we are able to quantitatively evaluate performance using standard image retrieval benchmarks. Performance of the bag-of-features method is best when the vocabulary is learned on the image set being clustered. Because learning a large, discriminative vocabulary is a computationally demanding task, we present a novel method for efficiently adapting a generic visual vocabulary to a particular dataset. We evaluate our clustering and vocabulary adaptation methods on a variety of image datasets and show that adapting a generic vocabulary to a particular set of images improves performance on both hierarchical clustering and image retrieval tasks.
C1 [Dillard, Scott E.; Henry, Michael J.; Bohn, Shawn; Gosink, Luke J.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Henry, MJ (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
EM michael.j.henry@pnnl.gov
NR 33
TC 0
Z9 0
U1 1
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9434-4
J9 PROC SPIE
PY 2013
VL 8661
AR 86610Q
DI 10.1117/12.2004733
PG 14
WC Computer Science, Artificial Intelligence; Computer Science,
Cybernetics; Optics; Imaging Science & Photographic Technology
SC Computer Science; Optics; Imaging Science & Photographic Technology
GA BFX76
UT WOS:000321820300024
ER
PT S
AU Karakaya, M
Barstow, D
Santos-Villalobos, H
Boehnen, C
AF Karakaya, Mahmut
Barstow, Del
Santos-Villalobos, Hector
Boehnen, Christopher
BE Bingham, PR
Lam, EY
TI An Iris Segmentation Algorithm based on Edge Orientation for Off-angle
Iris Recognition
SO IMAGE PROCESSING: MACHINE VISION APPLICATIONS VI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Image Processing - Machine Vision Applications VI
CY FEB 05-06, 2013
CL Burlingame, CA
SP Soc Imaging Sci & Technol (IS&T), SPIE, Qualcomm Inc
DE Iris recognition; segmentation; biometrics; off-angle iris; edge
orientation map; elliptical boundary
AB Iris recognition is known as one of the most accurate and reliable biometrics. However, the accuracy of iris recognition systems depends on the quality of data capture and is negatively affected by several factors such as angle, occlusion, and dilation. In this paper, we present a segmentation algorithm for off-angle iris images that uses edge detection, edge elimination, edge classification, and ellipse fitting techniques. In our approach, we first detect all candidate edges in the iris image by using the canny edge detector; this collection contains edges from the iris and pupil boundaries as well as eyelash, eyelids, iris texture etc. Edge orientation is used to eliminate the edges that cannot be part of the iris or pupil. Then, we classify the remaining edge points into two sets as pupil edges and iris edges. Finally, we randomly generate subsets of iris and pupil edge points, fit ellipses for each subset, select ellipses with similar parameters, and average to form the resultant ellipses. Based on the results from real experiments, the proposed method shows effectiveness in segmentation for off-angle iris images.
C1 [Karakaya, Mahmut; Barstow, Del; Santos-Villalobos, Hector; Boehnen, Christopher] Oak Ridge Natl Lab, Imaging Signals & Machine Learning Grp, Oak Ridge, TN 37831 USA.
RP Karakaya, M (reprint author), Oak Ridge Natl Lab, Imaging Signals & Machine Learning Grp, Oak Ridge, TN 37831 USA.
EM karakayam@ornl.gov
NR 19
TC 0
Z9 0
U1 0
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9434-4
J9 PROC SPIE
PY 2013
VL 8661
AR 866108
DI 10.1117/12.2004444
PG 13
WC Computer Science, Artificial Intelligence; Computer Science,
Cybernetics; Optics; Imaging Science & Photographic Technology
SC Computer Science; Optics; Imaging Science & Photographic Technology
GA BFX76
UT WOS:000321820300007
ER
PT J
AU Gundlach-Graham, A
Dennis, EA
Ray, SJ
Enke, CG
Barinaga, CJ
Koppenaal, DW
Hieftje, GM
AF Gundlach-Graham, Alexander
Dennis, Elise A.
Ray, Steven J.
Enke, Christie G.
Barinaga, Charles J.
Koppenaal, David W.
Hieftje, Gary M.
TI First inductively coupled plasma-distance-of-flight mass spectrometer:
instrument performance with a microchannel plate/phosphor imaging
detector
SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY
LA English
DT Article
ID CONSTANT MOMENTUM ACCELERATION; ION KINETIC ENERGIES; ISOTOPE RATIO;
ELEMENTAL ANALYSIS; ICP-MS; SPECTROGRAPH; RESOLUTION; GEOMETRY;
SENSITIVITY; CYTOMETRY
AB Here we describe the first combination of a Distance-of-Flight Mass Spectrometry (DOFMS) instrument and an inductively coupled plasma (ICP) ion source. DOFMS is a velocity-based MS technique in which ions of a range of mass-to-charge (m/z) values are detected simultaneously along the length of a spatially selective detector. As a relative of time-of-flight (TOF) MS, DOFMS leverages benefits from both TOFMS and spatially dispersive MS. The simultaneous detection of groups of m/z values improves dynamic range by spreading ion signal across many detector elements and reduces correlated noise by signal ratioing. To ascertain the performance characteristics of the ICP-DOFMS instrument, we have employed a microchannel-plate/phosphor detection assembly with a scientific CCD to capture images of the phosphor plate. With this simple (and commercially available) detection scheme, elemental detection limits from 2-30 ng L-1 and a linear dynamic range of 5 orders of magnitude (10-10(6) ng L-1) have been demonstrated. Additionally, a competitive isotope-ratio precision of 0.1% RSD has been achieved with only a 6 s signal integration period. In addition to first figures of merit, this paper outlines technical considerations for the design of the ICP-DOFMS.
C1 [Gundlach-Graham, Alexander; Dennis, Elise A.; Ray, Steven J.; Hieftje, Gary M.] Indiana Univ, Dept Chem, Bloomington, IN 47405 USA.
[Enke, Christie G.] Univ New Mexico, Dept Chem, Albuquerque, NM 87131 USA.
[Barinaga, Charles J.; Koppenaal, David W.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Hieftje, GM (reprint author), Indiana Univ, Dept Chem, 800 E Kirkwood Ave, Bloomington, IN 47405 USA.
EM alexgrah@indiana.edu
RI Gundlach-Graham, Alexander/B-6069-2011;
OI Gundlach-Graham, Alexander/0000-0003-4806-6255; Ray,
Steven/0000-0001-5675-1258
FU Division of Analytical Chemistry (DAC) of the American Chemistry
Society; Agilent Technologies; National Science Foundation
[DBI-1062846]; US DOE by Battelle Memorial Institute
[DE-AC06-76RLO-1830op]; U.S. Department of Energy [DE-FG02-09ER14980]
FX The authors thank the instrument makers of the Edward Bair Mechanical
Instrument Services at Indiana University for the construction of the
DOFMS instrument. One author (A. G.-G.) also thanks the Division of
Analytical Chemistry (DAC) of the American Chemistry Society and Agilent
Technologies for sponsoring him with a DAC graduate-research fellowship.
This research was supported in part by the National Science Foundation
through Grant DBI-1062846 and performed in collaboration with Pacific
Northwest National Laboratory, operated for the US DOE by Battelle
Memorial Institute under Contract DE-AC06-76RLO-1830op. Partial salary
support provided by the U.S. Department of Energy through grant
DE-FG02-09ER14980.
NR 63
TC 8
Z9 9
U1 1
U2 17
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0267-9477
J9 J ANAL ATOM SPECTROM
JI J. Anal. At. Spectrom.
PY 2013
VL 28
IS 9
BP 1385
EP 1395
DI 10.1039/c3ja50122a
PG 11
WC Chemistry, Analytical; Spectroscopy
SC Chemistry; Spectroscopy
GA 198KS
UT WOS:000322922300004
ER
PT J
AU Steeb, JL
Graczyk, DG
Tsai, Y
Mertz, CJ
Essling, AM
Sullivan, VS
Carney, KP
Finck, MR
Giglio, JJ
Chamberlain, DB
AF Steeb, J. L.
Graczyk, D. G.
Tsai, Y.
Mertz, C. J.
Essling, A. M.
Sullivan, V. S.
Carney, K. P.
Finck, M. R.
Giglio, J. J.
Chamberlain, D. B.
TI Application of mass spectrometric isotope dilution methodology for Sr-90
age-dating with measurements by thermal-ionization and inductively
coupled-plasma mass spectrometry
SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY
LA English
DT Article
ID DEAD-TIME; ICP-MS; RATIO MEASUREMENTS; BIAS; UNCERTAINTY; MODELS
AB Application of an isotope-dilution method for determining Zr-90 and Sr-90 in a Sr-90 source material spiked with Sr-86 and Zr-92 is described. A miniature gas pressurized extraction chromatography (GPEC) system with a column containing Eichrom Sr Resin (TM) was used for separating the elements so isobaric isotopes could be measured by mass spectrometry. Zirconium was rinsed through the column with 3 M HNO3/trace HF and strontium was eluted with 1% acetic acid. Two mass spectrometric techniques, inductively coupled plasma mass spectrometry (ICP-MS) and thermal ionization mass spectrometry (TIMS), were used for measuring isotope ratios. Data were obtained with Sr-90 from a blood-irradiator source. Results from the TIMS measurements gave a decay time of 45.16 +/- 0.26 years, and those from the ICP-MS gave 45.24 +/- 0.20 years (uncertainties are expanded uncertainty, k = 2). Quadrupole ICP-MS is preferable to TIMS in this application if the ICP-MS data are suitably corrected for non-linearity and mass discrimination.
C1 [Steeb, J. L.; Graczyk, D. G.; Tsai, Y.; Mertz, C. J.; Essling, A. M.; Sullivan, V. S.; Chamberlain, D. B.] Argonne Natl Lab, Lemont, IL USA.
[Carney, K. P.; Finck, M. R.; Giglio, J. J.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Steeb, JL (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Lemont, IL USA.
EM steeb@anl.gov; kevin.carney@inl.gov
OI Giglio, Jeffrey/0000-0002-0877-927X
FU U.S. Department of Energy, Nuclear Energy Research and Development
Program [W-31-109-ENG-38]; U.S. Department of Energy [DE-AC07-05ID14517,
DE-AC02-06CH11357]
FX The authors acknowledge the U.S. Department of Energy, Nuclear Energy
Research and Development Program under Contract no. W-31-109-ENG-38 for
funding. This manuscript has been authored by by UChicago Argonne, LLC,
and Battelle Energy Alliance, LLC, under Contracts no. DE-AC07-05ID14517
and DE-AC02-06CH11357 with the U.S. Department of Energy. The United
States Government retains a nonexclusive, paid-up, irrevocable,
world-wide license to publish or reproduce the published form of this
manuscript, or allow others to do so, for United States Government
purposes. We would like to thank ORNL for providing the image of the
Sr-90 blood irradiator.
NR 25
TC 5
Z9 5
U1 1
U2 12
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0267-9477
J9 J ANAL ATOM SPECTROM
JI J. Anal. At. Spectrom.
PY 2013
VL 28
IS 9
BP 1493
EP 1507
DI 10.1039/c3ja50136a
PG 15
WC Chemistry, Analytical; Spectroscopy
SC Chemistry; Spectroscopy
GA 198KS
UT WOS:000322922300017
ER
PT J
AU Wolpert, DH
Bono, JW
AF Wolpert, David H.
Bono, James W.
TI Predicting Behavior in Unstructured Bargaining with a Probability
Distribution
SO JOURNAL OF ARTIFICIAL INTELLIGENCE RESEARCH
LA English
DT Article
ID NONCONVEX PROBLEMS; EXTENSION; ALTERNATIVES; FINITE
AB In experimental tests of human behavior in unstructured bargaining games, typically many joint utility outcomes are found to occur, not just one. This suggests we predict the outcome of such a game as a probability distribution. This is in contrast to what is conventionally done (e.g, in the Nash bargaining solution), which is predict a single outcome. We show how to translate Nash's bargaining axioms to provide a distribution over outcomes rather than a single outcome. We then prove that a subset of those axioms forces the distribution over utility outcomes to be a power-law distribution. Unlike Nash's original result, our result holds even if the feasible set is finite. When the feasible set is convex and comprehensive, the mode of the power law distribution is the Harsanyi bargaining solution, and if we require symmetry it is the Nash bargaining solution. However, in general these modes of the joint utility distribution are not the experimentalist's Bayes-optimal predictions for the joint utility. Nor are the bargains corresponding to the modes of those joint utility distributions the modes of the distribution over bargains in general, since more than one bargain may result in the same joint utility. After introducing distributional bargaining solution concepts, we show how an external regulator can use them to optimally design an unstructured bargaining scenario. Throughout we demonstrate our analysis in computational experiments involving flight rerouting negotiations in the National Airspace System. We emphasize that while our results are formulated for unstructured bargaining, they can also be used to make predictions for noncooperative games where the modeler knows the utility functions of the players over possible outcomes of the game, but does not know the move spaces the players use to determine those outcomes.
C1 [Wolpert, David H.] Santa Fe Inst, Santa Fe, NM 87501 USA.
[Wolpert, David H.] Los Alamos Natl Lab, Informat Sci Grp, Los Alamos, NM 87545 USA.
RP Wolpert, DH (reprint author), Santa Fe Inst, 1399 Hyde Pk Rd, Santa Fe, NM 87501 USA.
EM DAVID.H.WOLPERT@GMAIL.COM; jwbono@gmail.com
NR 38
TC 0
Z9 0
U1 0
U2 1
PU AI ACCESS FOUNDATION
PI MARINA DEL REY
PA USC INFORMATION SCIENCES INST, 4676 ADMIRALITY WAY, MARINA DEL REY, CA
90292-6695 USA
SN 1076-9757
J9 J ARTIF INTELL RES
JI J. Artif. Intell. Res.
PY 2013
VL 46
BP 579
EP 605
PG 27
WC Computer Science, Artificial Intelligence
SC Computer Science
GA 199CZ
UT WOS:000322973400001
ER
PT J
AU Pattyn, F
Perichon, L
Durand, G
Favier, L
Gagliardini, O
Hindmarsh, RCA
Zwinger, T
Albrecht, T
Cornford, S
Docquier, D
Furst, JJ
Goldberg, D
Gudmundsson, GH
Humbert, A
Hutten, M
Huybrechts, P
Jouvet, G
Kleiner, T
Larour, E
Martin, D
Morlighem, M
Payne, AJ
Pollard, D
Ruckamp, M
Rybak, O
Seroussi, H
Thoma, M
Wilkens, N
AF Pattyn, Frank
Perichon, Laura
Durand, Gael
Favier, Lionel
Gagliardini, Olivier
Hindmarsh, Richard C. A.
Zwinger, Thomas
Albrecht, Torsten
Cornford, Stephen
Docquier, David
Furst, Johannes J.
Goldberg, Daniel
Gudmundsson, G. Hilmar
Humbert, Angelika
Huetten, Moritz
Huybrechts, Philippe
Jouvet, Guillaume
Kleiner, Thomas
Larour, Eric
Martin, Daniel
Morlighem, Mathieu
Payne, Anthony J.
Pollard, David
Rueckamp, Martin
Rybak, Oleg
Seroussi, Helene
Thoma, Malte
Wilkens, Nina
TI Grounding-line migration in plan-view marine ice-sheet models: results
of the ice2sea MISMIP3d intercomparison
SO JOURNAL OF GLACIOLOGY
LA English
DT Article
ID HIGHER-ORDER; PART 1; FLOW; DYNAMICS; SHELF; SENSITIVITY; ANTARCTICA;
STABILITY
AB Predictions of marine ice-sheet behaviour require models able to simulate grounding-line migration. We present results of an intercomparison experiment for plan-view marine ice-sheet models. Verification is effected by comparison with approximate analytical solutions for flux across the grounding line using simplified geometrical configurations (no lateral variations, no buttressing effects from lateral drag). Perturbation experiments specifying spatial variation in basal sliding parameters permitted the evolution of curved grounding lines, generating buttressing effects. The experiments showed regions of compression and extensional flow across the grounding line, thereby invalidating the boundary layer theory. Steady-state grounding-line positions were found to be dependent on the level of physical model approximation. Resolving grounding lines requires inclusion of membrane stresses, a sufficiently small grid size (<500 m), or subgrid interpolation of the grounding line. The latter still requires nominal grid sizes of <5 km. For larger grid spacings, appropriate parameterizations for ice flux may be imposed at the grounding line, but the short-time transient behaviour is then incorrect and different from models that do not incorporate grounding-line parameterizations. The numerical error associated with predicting grounding-line motion can be reduced significantly below the errors associated with parameter ignorance and uncertainties in future scenarios.
C1 [Pattyn, Frank; Perichon, Laura; Docquier, David] Univ Libre Bruxelles, Lab Glaciol, Brussels, Belgium.
[Durand, Gael; Favier, Lionel; Gagliardini, Olivier] UJF Grenoble I, CNRS, LGGE, Grenoble, France.
[Gagliardini, Olivier] Inst Univ France, Paris, France.
[Hindmarsh, Richard C. A.; Gudmundsson, G. Hilmar] British Antarctic Survey, Nat Environm Res Council, Cambridge CB3 0ET, England.
[Zwinger, Thomas] CSC IT Ctr Sci Ltd, Espoo, Finland.
[Albrecht, Torsten; Huetten, Moritz] Potsdam Inst Climate Impact Res, Potsdam, Germany.
[Albrecht, Torsten; Huetten, Moritz] Univ Potsdam, Inst Phys, Potsdam, Germany.
[Cornford, Stephen; Payne, Anthony J.] Univ Bristol, Sch Geog Sci, Bristol Glaciol Ctr, Bristol, Avon, England.
[Furst, Johannes J.; Huybrechts, Philippe; Rybak, Oleg] Vrije Univ Brussel, Brussels, Belgium.
[Furst, Johannes J.; Huybrechts, Philippe; Rybak, Oleg] Vrije Univ Brussel, Dept Geog, Brussels, Belgium.
[Goldberg, Daniel] MIT, Dept Earth Atmospher & Planetary Sci, Cambridge, MA USA.
[Humbert, Angelika; Rueckamp, Martin; Wilkens, Nina] Univ Hamburg, Inst Geophys IfG, Hamburg, Germany.
[Humbert, Angelika; Kleiner, Thomas; Thoma, Malte] Alfred Wegener Inst Polar & Marine Res, Bremerhaven, Germany.
[Jouvet, Guillaume] Free Univ Berlin, Inst Math, Berlin, Germany.
[Larour, Eric; Seroussi, Helene] CALTECH, Jet Prop Lab, Pasadena, CA USA.
[Martin, Daniel] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Morlighem, Mathieu] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA USA.
[Pollard, David] Penn State Univ, Earth & Environm Syst Inst, University Pk, PA 16802 USA.
RP Pattyn, F (reprint author), Univ Libre Bruxelles, Lab Glaciol, Brussels, Belgium.
EM fpattyn@ulb.ac.be
RI payne, antony/A-8916-2008; Rybak, Oleg/B-7308-2014; Hindmarsh,
Richard/C-1405-2012; Morlighem, Mathieu/O-9942-2014; Kleiner,
Thomas/F-6821-2015;
OI Gudmundsson, Gudmundur Hilmar/0000-0003-4236-5369; payne,
antony/0000-0001-8825-8425; Rybak, Oleg/0000-0003-3923-7163; Hindmarsh,
Richard/0000-0003-1633-2416; Zwinger, Thomas/0000-0003-3360-4401;
Morlighem, Mathieu/0000-0001-5219-1310; Kleiner,
Thomas/0000-0001-7825-5765; Cornford, Stephen/0000-0002-2461-1645;
Thoma, Malte/0000-0002-4033-3905; Cornford, Stephen/0000-0003-1844-274X;
Pattyn, Frank/0000-0003-4805-5636
FU ice2sea project from the European Union 7th Framework Programme
[226375]; NASA Cryospheric Sciences Program; NASA Modeling Analysis and
Prediction Program; NASA
FX This work was supported by funding from the ice2sea project from the
European Union 7th Framework Programme, grant No. 226375. This is
ice2sea contribution No. 112. LGGE was granted access to the
high-performance computing resources of CINES (Centre Informatique
National de l'Enseignement Superieur, France) under allocations
2011-016066 and 2012-016066 made by GENCI (Grand Equipement National de
Calcul Intensif) to perform the Elmer/Ice simulations. E. Larour and M.
Morlighem are supported by the NASA Cryospheric Sciences and Modeling
Analysis and Prediction Programs. H. Seroussi was supported by an
appointment to the NASA Postdoctoral Program at the Jet Propulsion
Laboratory, administered by Oak Ridge Associated Universities through a
contract with NASA. We wish to acknowledge the helpful comments of J.
Johnson and F. Saito, as well as the Scientific Editor R. Greve.
NR 52
TC 60
Z9 61
U1 1
U2 33
PU CAMBRIDGE UNIV PRESS
PI CAMBRIDGE
PA EDINBURGH BLDG, SHAFTESBURY RD, CB2 8RU CAMBRIDGE, ENGLAND
SN 0022-1430
EI 1727-5652
J9 J GLACIOL
JI J. Glaciol.
PY 2013
VL 59
IS 215
BP 410
EP 422
DI 10.3189/2013JoG12J129
PG 13
WC Geography, Physical; Geosciences, Multidisciplinary
SC Physical Geography; Geology
GA 202BX
UT WOS:000323189600002
ER
PT J
AU Liu, XF
Majzoub, EH
Stavila, V
Bhakta, RK
Allendorf, MD
Shane, DT
Conradi, MS
Verdal, N
Udovic, TJ
Hwang, SJ
AF Liu, Xiangfeng
Majzoub, Eric H.
Stavila, Vitalie
Bhakta, Raghunandan K.
Allendorf, Mark D.
Shane, David T.
Conradi, Mark S.
Verdal, Nina
Udovic, Terrence J.
Hwang, Son-Jong
TI Probing the unusual anion mobility of LiBH4 confined in highly ordered
nanoporous carbon frameworks via solid state NMR and quasielastic
neutron scattering
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID HYDROGEN STORAGE PROPERTIES; COMPLEX HYDRIDES; RECENT PROGRESS;
THERMODYNAMICS; DECOMPOSITION; NANOPARTICLES; NAALH4; SPECTROMETER;
DYNAMICS; KINETICS
AB Particle size and particle-framework interactions have profound effects on the kinetics, reaction pathways, and even thermodynamics of complex hydrides incorporated in frameworks possessing nanoscale features. Tuning these properties may hold the key to the utilization of complex hydrides in practical applications for hydrogen storage. Using carefully synthesized, highly-ordered, nanoporous carbons (NPCs), we have previously shown quantitative differences in the kinetics and reaction pathways of LiBH4 when incorporated into the frameworks. In this paper, we probe the anion mobility of LiBH4 confined in NPC frameworks by a combination of solid state NMR and quasielastic neutron scattering (QENS) and present some new insights into the nanoconfinement effect. NMR and QENS spectra of LiBH4 confined in a 4 nm pore NPC suggest that the BH4- anions nearer the LiBH4-carbon pore interface exhibit much more rapid translational and reorientational motions compared to those in the LiBH4 interior. Moreover, an overly broadened BH4- torsional vibration band reveals a disorder-induced array of BH4- rotational potentials. XRD results are consistent with a lack of LiBH4 long-range order in the pores. Consistent with differential scanning calorimetry measurements, neither NMR nor QENS detects a clear solid-solid phase transition as observed in the bulk, indicating that borohydride-framework interactions and/or nanosize effects have large roles in confined LiBH4.
C1 [Liu, Xiangfeng; Majzoub, Eric H.] Univ Missouri, Dept Phys & Astron, Ctr Nanosci, St Louis, MO 63121 USA.
[Liu, Xiangfeng] Univ Chinese Acad Sci, Coll Mat Sci & Optoelect Technol, Beijing 10049, Peoples R China.
[Stavila, Vitalie; Bhakta, Raghunandan K.; Allendorf, Mark D.] Sandia Natl Labs, Livermore, CA 94551 USA.
[Shane, David T.; Conradi, Mark S.] Washington Univ, Dept Phys, St Louis, MO 63130 USA.
[Verdal, Nina; Udovic, Terrence J.] NIST, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA.
[Hwang, Son-Jong] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA.
RP Majzoub, EH (reprint author), Univ Missouri, Dept Phys & Astron, Ctr Nanosci, St Louis, MO 63121 USA.
EM liuxf@ucas.ac.cn; majzoube@umsl.edu
FU U.S. Department of Energy in the Hydrogen, Fuel Cells, and
Infrastructure Technologies Program through the office Energy Efficiency
and Renewable Energy; DOE-EERE [DE-EE0002978]; DOE Basic Energy Sciences
[DE-FG02-05ER46256]; National Science Foundation (NSF) [DMR-0944772,
9724240]; MRSEC Program of the NSF [DMR-520565]; Hundred Talents
Project; National Basic Research Program of China (973 Program)
[2010CB833101]
FX This work was funded by the U.S. Department of Energy in the Hydrogen,
Fuel Cells, and Infrastructure Technologies Program through the office
Energy Efficiency and Renewable Energy. This work utilized facilities
supported in part by the National Science Foundation under Agreement
DMR-0944772. This work was partially supported by DOE-EERE under
Agreement no. DE-EE0002978. The work at Washington University was
supported by DOE Basic Energy Sciences grant DE-FG02-05ER46256. The NMR
facility at Caltech was supported by the National Science Foundation
(NSF) under Grant Number 9724240 and partially supported by the MRSEC
Program of the NSF under Award Number DMR-520565. The work at University
of Chinese Academy of Sciences was supported by "Hundred Talents
Project" and the National Basic Research Program of China (973 Program,
2010CB833101).
NR 52
TC 17
Z9 17
U1 3
U2 43
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
EI 2050-7496
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 34
BP 9935
EP 9941
DI 10.1039/c3ta12051a
PG 7
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 196RJ
UT WOS:000322792900050
ER
PT J
AU Ding, WW
Lin, JP
Yao, KJ
Mays, JW
Ramanathan, M
Hong, KL
AF Ding, Weiwei
Lin, Jiaping
Yao, Kejian
Mays, Jimmy W.
Ramanathan, Muruganathan
Hong, Kunlun
TI Building triangular nanoprisms from the bottom-up: a polyelectrolyte
micellar approach
SO JOURNAL OF MATERIALS CHEMISTRY B
LA English
DT Article
ID KINETICALLY CONTROLLED SYNTHESIS; POLY(VINYL PYRROLIDONE); LANGEVIN
DYNAMICS; SHAPE EVOLUTION; CRYSTALLIZATION; NANOSTRUCTURES;
MINERALIZATION; NANOPARTICLES; AGGREGATION; TEMPLATE
AB Charge-regulated synthesis of triangular prisms in aqueous solution using self-assembled polyelectrolyte micelles as templates is described in detail. Micelles formed from amphiphilic polystyrene-block-sulfonated poly(1,3-cyclohexadiene) (PS-b-sPCHD) serve as templates to direct the formation of novel triangular prisms of CuCl2 single crystals. We demonstrate that the edge lengths of these triangular prisms can be easily tailored at room temperature from the nanoscale to the mesoscale by simply adjusting the ratio of charged micelles to protons in the solution. This approach can be extended to the preparation of different ordered crystal structures with a precision hard to achieve via other approaches.
C1 [Ding, Weiwei; Lin, Jiaping; Yao, Kejian] E China Univ Sci & Technol, Sch Mat Sci & Engn, State Key Lab Bioreactor Engn,Key Lab Ultrafine M, Minist Educ,Shanghai Key Lab Adv Polymer Mat, Shanghai 200237, Peoples R China.
[Mays, Jimmy W.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Mays, Jimmy W.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Ramanathan, Muruganathan; Hong, Kunlun] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Lin, JP (reprint author), E China Univ Sci & Technol, Sch Mat Sci & Engn, State Key Lab Bioreactor Engn,Key Lab Ultrafine M, Minist Educ,Shanghai Key Lab Adv Polymer Mat, Shanghai 200237, Peoples R China.
EM jlin@ecust.edu.cn; hongkq@ornl.gov
RI Yao, Kejian/A-7486-2014; LIN, Jiaping/A-8734-2012; Hong,
Kunlun/E-9787-2015
OI Hong, Kunlun/0000-0002-2852-5111
FU National Science Foundation of China [50673026, 20574018]; Doctoral
Foundation of Education Ministry of China [20050251008]; Projects of
Shanghai Municipality [B502, 06SU07002, 0652nm021, 082231]; Oak Ridge
National Laboratory by the Scientific User Facilities Division, Office
of Basic Energy Sciences, U.S. Department of Energy
FX This work was supported by the National Science Foundation of China
(50673026, 20574018) and Doctoral Foundation of Education Ministry of
China (Grant no. 20050251008), and Projects of Shanghai Municipality
(B502, 06SU07002, 0652nm021, and 082231) are also acknowledged. A
portion of 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.
NR 29
TC 7
Z9 7
U1 0
U2 26
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-750X
J9 J MATER CHEM B
JI J. Mat. Chem. B
PY 2013
VL 1
IS 34
BP 4212
EP 4216
DI 10.1039/c3tb20765j
PG 5
WC Materials Science, Biomaterials
SC Materials Science
GA 198IP
UT WOS:000322916400002
ER
PT J
AU Lin, LQ
Crew, E
Yan, H
Shan, SY
Skeete, Z
Mott, D
Krentsel, T
Yin, J
Chernova, NA
Luo, J
Engelhard, MH
Wang, CM
Li, QB
Zhong, CJ
AF Lin, Liqin
Crew, Elizabeth
Yan, Hong
Shan, Shiyao
Skeete, Zakiya
Mott, Derrick
Krentsel, Tatiana
Yin, Jun
Chernova, Natasha A.
Luo, Jin
Engelhard, Mark H.
Wang, Chongmin
Li, Qingbiao
Zhong, Chuan-Jian
TI Bifunctional nanoparticles for SERS monitoring and magnetic intervention
of assembly and enzyme cutting of DNAs
SO JOURNAL OF MATERIALS CHEMISTRY B
LA English
DT Article
ID ENHANCED RAMAN-SCATTERING; CORE-SHELL NANOPARTICLES; IRON-OXIDE
NANOPARTICLES; GOLD NANOPARTICLES; SILVER NANOPARTICLES; SEPARATION;
NANOPROBES; PATHOGENS; PROTEIN; PROBES
AB The ability to harness the nanoscale structural properties is essential for the exploration of functional properties of nanomaterials. This report demonstrates a novel strategy exploring bifunctional nanoparticles for spectroscopic detection and magnetic intervention of DNA assembly, disassembly, and enzyme cutting processes in a solution phase. In contrast to existing single-function based approaches, this strategy exploits magnetic MnZn ferrite nanoparticles decorated with gold or silver on the surface to retain adequate magnetization while producing sufficient plasmonic resonance features to impart surface-enhanced Raman scattering (SERS) functions. The decoration of MnZn ferrite nanoparticles with Au or Ag (MZF/Au or MZF/Ag) was achieved by thermally activated deposition of Au or Ag atoms/nanoparticles on MZF nanoparticles. Upon interparticle double-stranded DNA linkage of the MZF/Au (or MZF/Ag) nanoparticles with gold nanoparticles labeled with a Raman reporter, the resulting interparticle "hot spots" are shown to enable real time SERS monitoring of the DNA assembly, disassembly, or enzyme cutting processes, where the magnetic component provides an effective means for intervention of the biomolecular processes in the solution. The unique bifunctional combination of the SERS "hot spots" and the magnetic separation capability serves as the first example of bifunctional nanoprobes for biomolecular recognition and intervention.
C1 [Lin, Liqin; Crew, Elizabeth; Yan, Hong; Shan, Shiyao; Skeete, Zakiya; Krentsel, Tatiana; Yin, Jun; Chernova, Natasha A.; Luo, Jin; Zhong, Chuan-Jian] SUNY Binghamton, Dept Chem, Binghamton, NY 13902 USA.
[Lin, Liqin; Li, Qingbiao] Xiamen Univ, Coll Environm & Ecol, Environm Sci Res Ctr, Xiamen 361005, Peoples R China.
[Mott, Derrick] Japan Adv Inst Sci & Technol, Sch Mat Sci, Nomi, Ishikawa 9231292, Japan.
[Engelhard, Mark H.; Wang, Chongmin] Pacific NW Natl Lab, EMSL, Richland, WA 99352 USA.
RP Lin, LQ (reprint author), SUNY Binghamton, Dept Chem, Binghamton, NY 13902 USA.
EM cjzhong@binghamton.edu
RI Li, QB/G-4616-2010; Yan, Hong/D-1937-2014; Zhong, Chuan-Jian/D-3394-2013
OI Engelhard, Mark/0000-0002-5543-0812;
FU National Science Foundation [CHE 0848701, CMMI 1100736]; National
Natural Science Foundation of China [21036004]; DOE
FX This work is supported by the National Science Foundation (CHE 0848701,
CMMI 1100736) and in part by the National Natural Science Foundation of
China (no. 21036004). The XPS and part of TEM measurements were
performed using EMSL, a national scientific user facility sponsored by
the DOE and located at PNNL.
NR 53
TC 13
Z9 13
U1 3
U2 49
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-750X
J9 J MATER CHEM B
JI J. Mat. Chem. B
PY 2013
VL 1
IS 34
BP 4320
EP 4330
DI 10.1039/c3tb20446d
PG 11
WC Materials Science, Biomaterials
SC Materials Science
GA 198IP
UT WOS:000322916400016
ER
PT J
AU Hellerich, ES
Intemann, JJ
Cai, M
Liu, R
Ewan, MD
Tlach, BC
Jeffries-EL, M
Shinar, R
Shinar, J
AF Hellerich, Emily S.
Intemann, Jeremy J.
Cai, Min
Liu, Rui
Ewan, Monique D.
Tlach, Brian C.
Jeffries-EL, Malika
Shinar, Ruth
Shinar, Joseph
TI Fluorescent polymer guest:small molecule host solution-processed OLEDs
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID LIGHT-EMITTING-DIODES; HIGH-EFFICIENCY; ELECTROPHOSPHORESCENT DEVICES;
TRANSPORTING MATERIALS; ENERGY-TRANSFER; PERFORMANCE; SINGLE; LAYER;
MOBILITY
AB Solution-processed OLEDs with polymer hosts and polymer or small-molecule guests have been studied extensively. More recently, efficient solution-processed OLEDs with small molecule hosts and small molecule guests were also reported. However, small molecule hosts of polymer guests in solution-processed fluorescent OLEDs have not been investigated. In this work guest: host systems consisting of the small molecule 4,4'-bis(9-carbazolyl)-biphenyl (CBP) as host to polymer guests such as novel benzobisoxazole (BBO)-containing copolymers and well-known poly(2-methoxy-5-(2'-ethyl-hexyloxy)1,4-phenylene vinylene) (MEH-PPV) are compared to those with poly(N-vinyl carbazole) (PVK) host, which previously yielded highly efficient phosphorescent OLEDs. In the case of MEH-PPV, guest: host OLEDs are also compared to those with a neat MEH-PPV emitting layer. It is found that replacing the polymer host PVK with the small molecule host CBP improves efficiencies by up to 100%. A blue emissive BBO-polymer: CBP device reaches a luminous efficiency (eta(L,max)) of 3.4 cd A(-1) (external quantum efficiency eta(ext) = 2.4%), while the PVK-based device exhibits eta(L,max) 1.7 cd A(-1) (eta(ext) = 1.2%). A green emissive BBO:CBP OLED exhibits eta(L,max) = 5.7 cd A(-1) (eta(ext) = 2.1%), while that in the PVK host is 3.1 cd A(-1) (eta(ext) = 1.1%). For MEH-PPV: CBP these values are 3.7 cd A(-1) (eta(ext) = 1.4%), compared to 2.9 cd A(-1) (eta(ext) = 1.0%) for MEH-PPV:PVK and 0.7 cd A(-1) (eta(ext) = 0.4%) for the neat MEH-PPV device. Possible origins of the improvement are discussed, including increased charge mobility, smoother film morphology, and the potential effect of multiple non-coiling host small molecules (in contrast to the likely coiled PVK) surrounding a polymer guest.
C1 [Hellerich, Emily S.; Cai, Min; Liu, Rui; Shinar, Joseph] US DOE, Ames Lab, Ames, IA 50011 USA.
[Hellerich, Emily S.; Cai, Min; Liu, Rui; Shinar, Joseph] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
[Intemann, Jeremy J.; Ewan, Monique D.; Tlach, Brian C.; Jeffries-EL, Malika] Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
[Shinar, Ruth] Iowa State Univ, Microelect Res Ctr, Ames, IA 50011 USA.
[Shinar, Ruth] Iowa State Univ, Dept Elect & Comp Engn, Ames, IA 50011 USA.
RP Shinar, J (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA.
EM rshinar@iastate.edu; jshinar@iastate.edu
RI Cai, Min/A-2678-2014
FU US Department of Energy (USDOE) [DE-AC 02-07CH11358]; Basic Energy
Sciences, Division of Materials Science and Engineering, USDOE; National
Science Foundation [DMR-0846607]
FX Ames Laboratory is operated by Iowa State University for the US
Department of Energy (USDOE) under Contract no. DE-AC 02-07CH11358. The
research was partially supported by Basic Energy Sciences, Division of
Materials Science and Engineering, USDOE. JJI, MDE, BCT and MJE thank
the National Science Foundation (DMR-0846607) for partial support of
this work.
NR 35
TC 12
Z9 12
U1 4
U2 62
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7526
J9 J MATER CHEM C
JI J. Mater. Chem. C
PY 2013
VL 1
IS 34
BP 5191
EP 5199
DI 10.1039/c3tc31019a
PG 9
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA 198HB
UT WOS:000322911900002
ER
PT J
AU Kim, Y
Kim, Y
Han, H
Jesse, S
Hyun, S
Lee, W
Kalinin, SV
Kim, JK
AF Kim, Youngsuk
Kim, Yunseok
Han, Hee
Jesse, Stephen
Hyun, Seung
Lee, Woo
Kalinin, Sergei V.
Kim, Jin Kon
TI Towards the limit of ferroelectric nanostructures: switchable sub-10 nm
nanoisland arrays
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID BLOCK-COPOLYMER MICELLES; ULTRAHIGH-DENSITY ARRAY; THIN-FILMS; ULTRAFINE
PARTICLES; DOMAIN-STRUCTURE; POLARIZATION; PBTIO3; SIZE; NANOPARTICLES;
FABRICATION
AB Ultrahigh density arrays of ferroelectric PbTiO3 (PTO) nanoislands with various feature sizes were epitaxially grown by utilizing block copolymer micelles. Piezoresponse and ferroelectric properties were clearly observed in the PTO nanoislands by band excitation piezoresponse force microscopy. In particular, PTO nanoislands were fully switchable even with a volume as small as 79 nm(3). Accordingly, it is expected that the volume of the switchable ferroelectric nanoislands can be further decreased. The obtained results show that an areal density of over 10 Tb in(-2) for the ferroelectric memory devices would be possible.
C1 [Kim, Youngsuk; Hyun, Seung; Kim, Jin Kon] Pohang Univ Sci & Technol POSTECH, Natl Creat Res Initiat Ctr Block Copolymer Self A, Pohang 790784, Kyungbuk, South Korea.
[Kim, Youngsuk; Hyun, Seung; Kim, Jin Kon] Pohang Univ Sci & Technol POSTECH, Dept Chem Engn, Pohang 790784, Kyungbuk, South Korea.
[Kim, Yunseok; Jesse, Stephen; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Kim, Yunseok] Sungkyunkwan Univ, Sch Adv Mat Sci & Engn, Suwon 440746, Gyeonggi Do, South Korea.
[Han, Hee; Lee, Woo] KRISS, Taejon 305340, South Korea.
RP Kim, JK (reprint author), Pohang Univ Sci & Technol POSTECH, Natl Creat Res Initiat Ctr Block Copolymer Self A, Pohang 790784, Kyungbuk, South Korea.
EM yunseokkim@skku.edu; jkkim@postech.ac.kr
RI Lee, Woo/B-5268-2008; Kalinin, Sergei/I-9096-2012; Jesse,
Stephen/D-3975-2016
OI Lee, Woo/0000-0003-4560-8901; Kalinin, Sergei/0000-0001-5354-6152;
Jesse, Stephen/0000-0002-1168-8483
FU National Creative Research Initiative Program; National Research
Foundation of Korea (NRF); Center for Advanced Soft Electronics under
the Global Frontier Research Program of the Ministry of Science, ICT &
Future Planning, Korea [2011-0031635]; U.S. Department of Energy, Basic
Energy Sciences, Materials Sciences and Engineering Division; Oak Ridge
National Laboratory by the Scientific User Facilities Division, Office
of Basic Energy Sciences, U.S. Department of Energy; POSCO; NRF
FX This research was supported by the National Creative Research Initiative
Program supported by the National Research Foundation of Korea (NRF) and
a grant (Code no. 2011-0031635) from the Center for Advanced Soft
Electronics under the Global Frontier Research Program of the Ministry
of Science, ICT & Future Planning, Korea. The research was also
supported (S. V. K., Y.K.) by the U.S. Department of Energy, Basic
Energy Sciences, Materials Sciences and Engineering Division. A portion
of this research was conducted at the Center for Nanophase Materials
Sciences (S. V. K.), which is sponsored at Oak Ridge National Laboratory
by the Scientific User Facilities Division, Office of Basic Energy
Sciences, U.S. Department of Energy. XRD experiments were performed at
PLS beamlines 3C2 and 10C1 supported by POSCO and NRF.
NR 30
TC 7
Z9 7
U1 1
U2 27
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7526
J9 J MATER CHEM C
JI J. Mater. Chem. C
PY 2013
VL 1
IS 34
BP 5299
EP 5302
DI 10.1039/c3tc30971a
PG 4
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA 198HB
UT WOS:000322911900015
ER
PT J
AU Yeates, TO
Jorda, J
Bobik, TA
AF Yeates, Todd O.
Jorda, Julien
Bobik, Thomas A.
TI The Shells of BMC-Type Microcompartment Organelles in Bacteria
SO JOURNAL OF MOLECULAR MICROBIOLOGY AND BIOTECHNOLOGY
LA English
DT Article
DE Bacterial microcompartments; Carboxysome; Shell proteins
ID B-12-DEPENDENT 1,2-PROPANEDIOL DEGRADATION;
HALOTHIOBACILLUS-NEAPOLITANUS CARBOXYSOMES; SALMONELLA-TYPHIMURIUM LT2;
PENTAMERIC VERTEX PROTEINS; THIOBACILLUS-NEAPOLITANUS; PDU
MICROCOMPARTMENT; CARBONIC-ANHYDRASE; ESCHERICHIA-COLI; ETHANOLAMINE;
ENTERICA
AB Bacterial microcompartments are large proteinaceous structures that act as metabolic organelles in many bacterial cells. A shell or capsid, which is composed of a few thousand protein subunits, surrounds a series of sequentially acting enzymes and controls the diffusion of substrates and products into and out of the lumen. The carboxysome and the propanediol utilization microcompartment represent two well-studied systems among seven or more distinct types that can be delineated presently. Recent structural studies have highlighted a number of sophisticated mechanisms that underlie the function of bacterial microcompartment shell proteins. This review updates our understanding of bacterial microcompartment shells, how they are assembled, and how they carry out their functions in molecular transport and enzyme organization. Copyright (C) 2013 S. Karger AG, Basel
C1 [Yeates, Todd O.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA.
[Jorda, Julien] Univ Calif Los Angeles, UCLA DOE Inst Genom & Prote, Los Angeles, CA 90095 USA.
[Bobik, Thomas A.] Iowa State Univ, Dept Biochem Biophys & Mol Biol, Ames, IA USA.
RP Yeates, TO (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA.
EM yeates@mbi.ucla.edu
OI Yeates, Todd/0000-0001-5709-9839
FU NIAID NIH HHS [R01 AI081146]
NR 58
TC 18
Z9 18
U1 0
U2 17
PU KARGER
PI BASEL
PA ALLSCHWILERSTRASSE 10, CH-4009 BASEL, SWITZERLAND
SN 1464-1801
J9 J MOL MICROB BIOTECH
JI J. Mol. Microbiol. Biotechnol.
PY 2013
VL 23
IS 4-5
BP 290
EP 299
DI 10.1159/000351347
PG 10
WC Biotechnology & Applied Microbiology; Microbiology
SC Biotechnology & Applied Microbiology; Microbiology
GA 197YL
UT WOS:000322888700004
PM 23920492
ER
PT S
AU Choi, J
Cruz-Cabrera, AA
Tanbakuchi, A
AF Choi, Junoh
Cruz-Cabrera, Alvaro A.
Tanbakuchi, Anthony
BE Maher, MA
Resnick, PJ
TI Practical Implementation of Broadband Diffractive Optical Elements
SO MICROMACHINING AND MICROFABRICATION PROCESS TECHNOLOGY XVIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Micromachining and Microfabrication Process Technology
XVIII
CY FEB 05-07, 2013
CL San Francisco, CA
SP SPIE, VUZIX Corp
DE Diffractive optical element; broadband diffractive
AB Diffractive optical elements (DOEs), with their thin profile and unique dispersion properties, have been studied and utilized in a number of optical systems, often yielding smaller and lighter systems. Despite the interest in and study of DOEs, the application of DOEs has been limited to narrow spectral bands. This is due to DOEs depths, which are optimized for optical path differences of only a single wavelength, consequently leading to rapid decline in efficiency as the working wavelength shifts away from the design wavelength. Various broadband DOE design methodologies have recently been developed that improve spectral diffraction efficiency and expand the working bandwidth of diffractive elements. Two such extended bandwidth diffractive designs have been modeled and fabricated. The diffraction efficiency test result for one broadband DOE design is presented.
C1 [Choi, Junoh; Cruz-Cabrera, Alvaro A.; Tanbakuchi, Anthony] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Choi, J (reprint author), Sandia Natl Labs, POB 5800,MS 0406, Albuquerque, NM 87185 USA.
NR 3
TC 1
Z9 1
U1 0
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9381-1
J9 PROC SPIE
PY 2013
VL 8612
AR 86120G
DI 10.1117/12.2013204
PG 12
WC Optics; Physics, Applied
SC Optics; Physics
GA BGG96
UT WOS:000322910000013
ER
PT J
AU Vishnyakov, EA
Voronov, DL
Gullikson, EM
Kondratenko, VV
Kopylets, IA
Luginin, MS
Pirozhkov, AS
Ragozin, EN
Shatokhin, AN
AF Vishnyakov, E. A.
Voronov, D. L.
Gullikson, E. M.
Kondratenko, V. V.
Kopylets, I. A.
Luginin, M. S.
Pirozhkov, A. S.
Ragozin, E. N.
Shatokhin, A. N.
TI Normal-incidence Sb/B4C multilayer mirrors for the 80 angstrom < lambda
< 120 angstrom wavelength range
SO QUANTUM ELECTRONICS
LA English
DT Article
DE soft X-ray range; multilayer mirrors; antimony; aperiodic structures;
normal radiation incidence
ID PLASMA RADIATION SOURCE; PULSED XENON-JET; X-RAY RADIATION; REFLECTION;
SPECTROSCOPY; DISPERSION; OPTICS
AB Periodic and aperiodic Sb/B4C multilayer structures have been theoretically calculated and synthesised for the first time for the application in soft X-ray optics in the 80 angstrom < lambda < 120 angstrom range. The reflection spectra of the periodic multilayer mirrors are measured using synchrotron radiation and laser plasma-generated radiation. The experimental spectra are theoretically interpreted with the inclusion of transition layers and substrate roughness. The density of antimony layers is supposedly rho(Sb) = 6.0 g cm(-3), and the thickness of transition layers (if any) in the Sb/B4C multilayer structures does not exceed 10 angstrom. A peak reflectivity of 19% is attained at a wavelength of 85 angstrom. An aperiodic mirror optimised for maximum uniform reflectivity in the 100 - 120 angstrom range is tested employing the laser plasma radiation source.
C1 [Vishnyakov, E. A.; Luginin, M. S.; Ragozin, E. N.; Shatokhin, A. N.] State Univ, Moscow Inst Phys & Technol, Dolgoprudnyi 141700, Moscow Region, Russia.
[Vishnyakov, E. A.; Ragozin, E. N.; Shatokhin, A. N.] Russian Acad Sci, PN Lebedev Phys Inst, Moscow 119991, Russia.
[Voronov, D. L.; Gullikson, E. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA.
[Kondratenko, V. V.; Kopylets, I. A.] Natl Tech Univ, Kharkov Polytech Inst, UA-61002 Kharkov, Ukraine.
[Pirozhkov, A. S.] JAEA, Adv Beam Technol Div, Kizugawa, Kyoto 6190215, Japan.
RP Vishnyakov, EA (reprint author), State Univ, Moscow Inst Phys & Technol, Inst Per 9, Dolgoprudnyi 141700, Moscow Region, Russia.
EM juk301@mail.ru; enragozin@gmail.com
RI Vishnyakov, Eugene/M-3106-2015; Ragozin, Eugene/M-3139-2015; Shatokhin,
Alexey/C-3534-2016
FU 'Fundamental Optical Spectroscopy and its Applications' Programme of the
Physical Sciences Division, RAS; Educational-Scientific Complex of the
LPI
FX The authors express their appreciation to N.N. Salashchenko and P.V.
Sasorov for fruitful discussions. This work was supported by the
'Fundamental Optical Spectroscopy and its Applications' Programme of the
Physical Sciences Division, RAS, and the Educational-Scientific Complex
of the LPI.
NR 38
TC 4
Z9 4
U1 0
U2 2
PU TURPION LTD
PI BRISTOL
PA C/O TURPION LTD, IOP PUBLISHING, TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1
6HG, ENGLAND
SN 1063-7818
EI 1468-4799
J9 QUANTUM ELECTRON+
JI Quantum Electron.
PY 2013
VL 43
IS 7
BP 666
EP 673
DI 10.1070/QE2013v043n07ABEH015128
PG 8
WC Engineering, Electrical & Electronic; Physics, Applied
SC Engineering; Physics
GA 196XJ
UT WOS:000322810400013
ER
PT J
AU Wang, L
Lei, HW
Lee, J
Chen, SL
Tang, J
Ahring, B
AF Wang, Lu
Lei, Hanwu
Lee, John
Chen, Shulin
Tang, Juming
Ahring, Birgitte
TI Aromatic hydrocarbons production from packed-bed catalysis coupled with
microwave pyrolysis of Douglas fir sawdust pellets
SO RSC ADVANCES
LA English
DT Article
ID BIO-OIL; ASSISTED PYROLYSIS; BIOMASS; FUEL; TEMPERATURE; CONVERSION;
ZEOLITES; PHENOLS; REACTOR; ENERGY
AB The direct catalytic cracking of biomass pyrolysis vapour into aromatics derived from Douglas fir sawdust pellets was tested using an upfront microwave pyrolysis process coupled with a packed-bed catalysis process using a ZSM-5 Zeolite catalyst. A central composite experimental design (CCD) was used to optimize the bio-oil and syngas yields. The effects of temperature and inverse weight hourly space velocity (WHSV)(-1) on the bio-oil composition were determined. The gas chromatography-mass spectrometry (GC-MS) analysis results showed that the bio-oil contained aromatic hydrocarbons. The aromatic hydrocarbons were enriched and became the most abundant compounds accounting for about 15-92.6% in upgraded bio-oils, depending on the catalytic pyrolysis conditions. The aromatic hydrocarbons were mainly composed of benzene, toluene, xylene, naphthalene, and their derivatives. When the effect of the reaction temperature on the bio-oil chemical compositions was analysed with a fixed (WHSV)(-1) (0.048 h), we found that the aromatic hydrocarbons increased from 0.72% in raw bio-oil (no catalyst added) to around 92.6% when the catalysis temperature was 500 degrees C, clearly demonstrating that a high temperature with the ZSM-5 Zeolite catalyst favoured the production of aromatic hydrocarbons. At a lower temperature fixed at 375 degrees C, the aromatic hydrocarbon content was increased from 0.72% to 78.1% with a (WHSV)(-1) increase from 0 to 0.075.
C1 [Wang, Lu; Lei, Hanwu; Chen, Shulin; Tang, Juming; Ahring, Birgitte] Washington State Univ, Bioprod Sci & Engn Lab, Dept Biol Syst Engn, Richland, WA 99354 USA.
[Lee, John] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Lei, HW (reprint author), Washington State Univ, Bioprod Sci & Engn Lab, Dept Biol Syst Engn, Richland, WA 99354 USA.
EM hlei@tricity.wsu.edu
FU Office of Research; Department of Biological Systems Engineering at
Washington State University
FX This work was supported in partial by the Office of Research and
Department of Biological Systems Engineering at Washington State
University.
NR 36
TC 12
Z9 13
U1 5
U2 23
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2013
VL 3
IS 34
BP 14609
EP 14615
DI 10.1039/c3ra23104f
PG 7
WC Chemistry, Multidisciplinary
SC Chemistry
GA 195XP
UT WOS:000322737400056
ER
PT S
AU Coslovich, G
Huber, B
Lee, WS
Chuang, YD
Zhu, Y
Sasagawa, T
Hussain, Z
Bechtel, HA
Martin, MC
Schoenlein, RW
Shen, ZX
Kaindl, RA
AF Coslovich, G.
Huber, B.
Lee, W. -S.
Chuang, Y. -D.
Zhu, Y.
Sasagawa, T.
Hussain, Z.
Bechtel, H. A.
Martin, M. C.
Schoenlein, R. W.
Shen, Z. -X.
Kaindl, R. A.
BE Betz, M
Elezzabi, AY
Song, JJ
Tsen, KT
TI Ultrafast Mid-infrared Spectroscopy of the Charge- and Spin-ordered
Nickelates
SO ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Ultrafast Phenomena and Nanophotonics XVII
CY FEB 03-06, 2013
CL San Francisco, CA
SP SPIE, Femtolasers Inc
DE ultrafast dynamics; mid-infrared spectroscopy; strongly-correlated
materials; electronic stripes; nickelates
AB We discuss the mid-infrared optical response of a charge and spin-ordered nickelate in the ultrafast time domain. A strong photo-induced modulation of the optical reflectivity is observed on the sub-picosecond timescale, indicating the transient filling and recovery of the pseudogap in the mid-infrared charge transport. A variational Kramers-Kronig analysis of equilibrium reflectivity data is extended to time-resolved experiments, allowing us to extract the optical conductivity despite a comparatively limited frequency range of tunable femtosecond parametric sources. The fast dynamics of the spectral weight transfer supports an electronic origin of the mid-infrared pseudogap in nickelates.
C1 [Coslovich, G.; Huber, B.; Zhu, Y.; Schoenlein, R. W.; Kaindl, R. A.] Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94720 USA.
[Lee, W. -S.; Shen, Z. -X.] Stanford Univ, SLAC Natl Accelerat Lab, SIMES, Menlo Pk, CA 94025 USA.
[Chuang, Y. -D.; Hussain, Z.; Bechtel, H. A.; Martin, M. C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Sasagawa, T.] Tokyo Inst Technol, Mat & Struct Lab, Kanagawa 226, Japan.
RP Coslovich, G (reprint author), Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94720 USA.
EM GCoslovich@lbl.gov
RI Schoenlein, Robert/D-1301-2014; Sasagawa, Takao/E-6666-2014
OI Schoenlein, Robert/0000-0002-6066-7566; Sasagawa,
Takao/0000-0003-0149-6696
FU U.S. Department of Energy, Office of Basic Energy Sciences (DOE BES),
Division of Materials Sciences and Engineering [DE-AC02-05CH11231];
Division of Materials Sciences and Engineering, DOE-BES
[DE-AC02-76SF00515]; German Academic Exchange Service (DAAD)
FX This research was supported by the U.S. Department of Energy, Office of
Basic Energy Sciences (DOE BES), Division of Materials Sciences and
Engineering under contract DE-AC02-05CH11231 at Lawrence Berkeley
National Laboratory (G.C., B.H., Y.Z., R.W.S., R.A.K.). The Advanced
Light Source is supported by DOE BES under the same contract (Y.D.C.,
H.B., M.M., Z.H.). W.S.L. and Z.X.S. acknowledge funding from the
Division of Materials Sciences and Engineering, DOE-BES under contract
DE-AC02-76SF00515 at SLAC National Accelerator Laboratory and Stanford
Institute for Materials and Energy Sciences. B.H. acknowledges
fellowship support from the German Academic Exchange Service (DAAD) and
participation in an exchange program with the U.C. Berkeley Nanosciences
and Nanoengineering Institute.
NR 12
TC 1
Z9 1
U1 0
U2 6
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9392-7
J9 PROC SPIE
PY 2013
VL 8623
AR 862308
DI 10.1117/12.2005366
PG 6
WC Nanoscience & Nanotechnology; Optics; Physics, Applied
SC Science & Technology - Other Topics; Optics; Physics
GA BGG42
UT WOS:000322829300006
ER
PT S
AU Li, CY
Seletskiy, DV
Cederberg, JG
Sheik-Bahae, M
AF Li, Chia-Yeh
Seletskiy, Denis V.
Cederberg, Jeffrey G.
Sheik-Bahae, Mansoor
BE Betz, M
Elezzabi, AY
Song, JJ
Tsen, KT
TI Observation of strong and broadband terahertz induced electroabsorption
in multiple quantum wells
SO ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Ultrafast Phenomena and Nanophotonics XVII
CY FEB 03-06, 2013
CL San Francisco, CA
SP SPIE, Femtolasers Inc
DE Electroabsorption; Terahertz; Quantum Well; Franz-Keldysh Effect
AB We report the observation of strong terahertz-induced electroabsoption (EA) modulation in in multiple double quantum well (MDQW) structures Broadband terahertz generated by two-color laser induced plasma is focused (similar to 1MV/cm) onto the MQW and spectro-temporal response is probed in transmission geometry, where up to 60% modulation signals are observed. EAS signal is attributed to several mechanisms, including observed qualitative agreement with the twodimensional Franz-Keldysh response. Utilizing strong EA signals, we present a simple THz imaging scheme using conventional imagers.
C1 [Li, Chia-Yeh; Seletskiy, Denis V.; Sheik-Bahae, Mansoor] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA.
[Cederberg, Jeffrey G.] Sandia Natl Labs, Albuquerque, NM USA.
[Seletskiy, Denis V.] Univ Konstanz, Ctr Appl Photon, Dept Phys, Constance, Germany.
RP Li, CY (reprint author), Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA.
FU University of New Mexico is provided by Nation Science Foundation (NSF)
[1207489]; Defense Threat Reduction Agency (DTRA); U.S. Department of
Energy's National Nuclear Security Administration [DE-AC04-94AL85000];
National Science Foundation [1160764]
FX The funding of this research at University of New Mexico is provided by
Nation Science Foundation (NSF) Award No. 1207489, and Defense Threat
Reduction Agency (DTRA). 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. D.V.S acknowledges support by the National Science
Foundation under Award No. 1160764.
NR 9
TC 0
Z9 0
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9392-7
J9 PROC SPIE
PY 2013
VL 8623
AR 86230O
DI 10.1117/12.2004633
PG 8
WC Nanoscience & Nanotechnology; Optics; Physics, Applied
SC Science & Technology - Other Topics; Optics; Physics
GA BGG42
UT WOS:000322829300013
ER
PT S
AU Luo, CW
Chen, HJ
Wang, HJ
Ku, SA
Wu, KH
Uen, TM
Juang, JY
Lin, JY
Young, BL
Kobayashi, T
Sankar, R
Chou, FC
Berger, H
Gu, GD
AF Luo, C. W.
Chen, H. -J.
Wang, H. J.
Ku, S. A.
Wu, K. H.
Uen, T. M.
Juang, J. Y.
Lin, J. -Y.
Young, B. L.
Kobayashi, T.
Sankar, R.
Chou, F. C.
Berger, H.
Gu, G. D.
BE Betz, M
Elezzabi, AY
Song, JJ
Tsen, KT
TI Ultrafast dynamics in topological insulators
SO ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Ultrafast Phenomena and Nanophotonics XVII
CY FEB 03-06, 2013
CL San Francisco, CA
SP SPIE, Femtolasers Inc
DE Ultrafast dynamics; topological insulators; pump-probe spectroscopy
ID SURFACE; TRANSPORT; BI2SE3
AB Ultrafast dynamics of carriers and phonons in topological insulators CuxBi2Se3-y (x= 0, 0.1, 0.125, y= 0, 1) was studied using femtosecond optical pump-probe spectroscopy. One damped oscillation was clearly observed in the transient reflectivity changes (Delta R/R), which is assigned to the coherent optical phonon (A(1g)(1)). According to the red shift of A(1g)(1) phonon frequency, the Cu atoms in CuxBi2Se3 crystals may predominantly intercalated between pair of the quintuple layers. Moreover, the carrier dynamics in the Dirac-cone surface state is significantly different from that in bulk state, which was investigated using optical pump mid-infrared (mid-IR) probe spectroscopy. The rising time and decay time of the negative component in Delta R/R, which is assigned to carrier relaxation in Dirac cone, is 1.62 ps and 20.5 ps, respectively.
C1 [Luo, C. W.; Chen, H. -J.; Wang, H. J.; Ku, S. A.; Wu, K. H.; Uen, T. M.; Juang, J. Y.; Young, B. L.; Kobayashi, T.] Natl Chiao Tung Univ, Dept Electrophys, Hsinchu 300, Taiwan.
[Lin, J. -Y.] Natl Chiao Tung Univ, Inst Phys, Hsinchu 300, Taiwan.
[Sankar, R.; Chou, F. C.] Natl Taipei Univ Technol, Ctr Condensed Matter Sci, Taipei 106, Taiwan.
[Berger, H.] Ecole Polytech Fed Lausanne, Inst Phys Complex Matter, CH-1015 Lausanne, Switzerland.
[Gu, G. D.] Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA.
RP Luo, CW (reprint author), Natl Chiao Tung Univ, Dept Electrophys, Hsinchu 300, Taiwan.
EM cwluo@g2.nctu.edu.tw
RI Luo, Chih Wei/D-3485-2013
OI Luo, Chih Wei/0000-0002-6453-7435
FU National Science Council [NSC 98-2112-M-009-006-MY3,
NSC98-2112-M-009-008-MY3, NSC 101-2112-M-009-016-MY2]; Ministry of
Education (MOE ATU program at NCTU) of Taiwan, R.O.C
FX This project is financially sponsored by the National Science Council
(grant no. NSC 98-2112-M-009-006-MY3, NSC 98-2112-M-009-008-MY3 and NSC
101-2112-M-009-016-MY2) and the Ministry of Education (MOE ATU program
at NCTU) of Taiwan, R.O.C.
NR 27
TC 0
Z9 0
U1 3
U2 14
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9392-7
J9 PROC SPIE
PY 2013
VL 8623
AR 86230D
DI 10.1117/12.2001954
PG 7
WC Nanoscience & Nanotechnology; Optics; Physics, Applied
SC Science & Technology - Other Topics; Optics; Physics
GA BGG42
UT WOS:000322829300009
ER
PT J
AU Mariani, Z
Strong, K
Palm, M
Lindenmaier, R
Adams, C
Zhao, X
Savastiouk, V
McElroy, CT
Goutail, F
Drummond, JR
AF Mariani, Z.
Strong, K.
Palm, M.
Lindenmaier, R.
Adams, C.
Zhao, X.
Savastiouk, V.
McElroy, C. T.
Goutail, F.
Drummond, J. R.
TI Year-round retrievals of trace gases in the Arctic using the
Extended-range Atmospheric Emitted Radiance Interferometer
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID TOTAL OZONE MEASUREMENTS; GROUND-BASED FTIR; INFRARED MEASUREMENTS;
EMISSION-SPECTROSCOPY; COLUMN MEASUREMENTS; CARBON-MONOXIDE;
WATER-VAPOR; EUREKA; VALIDATION; CANADA
AB The Extended-range Atmospheric Emitted Radiance Interferometer (E-AERI) was installed at the Polar Environment Atmospheric Research Laboratory (PEARL) at Eureka, Nunavut, Canada in October 2008. Spectra from the E-AERI provide information about the radiative balance and budgets of trace gases in the Canadian high Arctic. Measurements are taken every 7 min year-round, including polar night when the solar-viewing spectrometers at PEARL are not operated. This allows E-AERI measurements to fill the gap in the PEARL dataset during the four months of polar night. Measurements were taken year-round in 2008-2009 at the PEARL Ridge Lab, which is 610 m a.s.l. (above sea-level), and from 2011 onwards at the Zero-Altitude PEARL Auxiliary Lab (0PAL), which is at sea level 15 km from the Ridge Lab. Total columns of O-3, CO, CH4, and N2O have been retrieved using a modified version of the SFIT2 retrieval algorithm adapted for emission spectra. This provides the first ground-based nighttime measurements of these species at Eureka. Changes in the total columns driven by photochemistry and dynamics are observed. Analyses of E-AERI retrievals indicate accurate spectral fits (root-mean-square residuals consistent with noise) and a 10-15% uncertainty in the total column, depending on the trace gas. O-3 comparisons between the E-AERI and a Bruker IFS 125HR Fourier transform infrared (FTIR) spectrometer, three Brewer spectrophotometers, two UV-visible ground-based spectrometers, and a System D'Analyse par Observations Zenithales (SAOZ) at PEARL are made from 2008-2009 and for 2011. 125HR CO, CH4, and N2O columns are also compared with the E-AERI measurements. Mean relative differences between the E-AERI and the other spectrometers are 1-10% (14% is for the un-smoothed profiles), which are less than the E-AERI's total column uncertainties. The E-AERI O-3 and CO measurements are well correlated with the other spectrometers (r > 0.92 with the 125HR). The 24 h diurnal cycle and 365-day seasonal cycle of CO are observed and their amplitudes are quantified by the E-AERI (6-12 and 46 %, respectively). The seasonal variability of H2O has an impact on the retrievals, leading to larger uncertainties in the summer months. Despite increased water vapour at the lower-altitude site 0PAL, measurements at 0PAL are consistent with measurements at PEARL.
C1 [Mariani, Z.; Strong, K.; Lindenmaier, R.; Adams, C.; Zhao, X.] Univ Toronto, Dept Phys, Toronto, ON, Canada.
[Palm, M.] Univ Bremen, Dept Phys, Bremen, Germany.
[Lindenmaier, R.] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA.
[Adams, C.] Univ Saskatoon, Dept Phys & Engn, Saskatoon, SK, Canada.
[Savastiouk, V.] Full Spectrum Sci Inc, Toronto, ON, Canada.
[McElroy, C. T.] York Univ, Dept Earth & Space Sci & Engn, Toronto, ON M3J 2R7, Canada.
[Goutail, F.] Univ Versailles St Quentin, CNRS, LATMOS, Guyancourt, France.
[Drummond, J. R.] Dalhousie Univ, Dept Phys & Atmospher Sci, Halifax, NS, Canada.
RP Mariani, Z (reprint author), Univ Toronto, Dept Phys, Toronto, ON, Canada.
EM zmariani@atmosp.physics.utoronto.ca; strong@atmosp.physics.utoronto.ca;
mathias@iup.physik.uni-bremen.de; rodica@atmosp.physics.utoronto.ca;
cadams@physics.utoronto.ca; xizhao@atmosp.physics.utoronto.ca;
volodya@io3.ca; c.t.mcelroy@gmail.com;
florence.goutail@aerov.jussieu.fr; james.drummond@dal.ca
RI Drummond, James/O-7467-2014;
OI Palm, Mathias/0000-0001-7191-6911
FU Arctic Research Infrastructure Fund; Atlantic Innovation Fund/Nova
Scotia Research Innovation Trust; Canadian Foundation for Climate and
Atmospheric Science; Canadian Foundation for Innovation; Canadian Space
Agency (CSA); Environment Canada (EC); Government of Canada
International Polar Year; Natural Sciences and Engineering Research
Council (NSERC); Ontario Innovation Trust; Ontario Research Fund; Indian
and Northern Affairs Canada; Polar Continental Shelf Program; CSA;
NSERC; NSERC CREATE Training Program in Arctic Atmospheric Science;
Northern Student Training Program
FX The Polar Environment Atmospheric Research Laboratory (PEARL) is
operated by the Canadian Network for the Detection of Atmospheric Change
(CANDAC). CANDAC/PEARL funding partners are: the Arctic Research
Infrastructure Fund, Atlantic Innovation Fund/Nova Scotia Research
Innovation Trust, Canadian Foundation for Climate and Atmospheric
Science, Canadian Foundation for Innovation, Canadian Space Agency
(CSA), Environment Canada (EC), Government of Canada International Polar
Year, Natural Sciences and Engineering Research Council (NSERC), Ontario
Innovation Trust, Ontario Research Fund, Indian and Northern Affairs
Canada, and the Polar Continental Shelf Program. Spring visits to PEARL
were made as part of the Canadian Arctic ACE Validation Campaigns, led
by Kaley A. Walker and supported by CSA, EC, NSERC, NSERC CREATE
Training Program in Arctic Atmospheric Science, and the Northern Student
Training Program. Thanks to David Hudak at Environment Canada for
providing MMCR data. Thanks to PEARL site manager Pierre Fogal and
CANDAC operators Ashley Harrett, Alexei Khmel, Paul Loewen, Oleg
Mikhailov, Keith MacQuarrie and Matt Okraszewski who have helped with
the E-AERI measurements at PEARL. Thanks to Stephane Lantagne and
Guillaume Gamache from ABB for their work installing the E-AERI, Dan
Weaver for his help analyzing water vapour data, and Simone Chaudhary
for her help with automating SFIT2. Thanks also to the staff at the
Eureka Weather Station for their support and hospitality.
NR 43
TC 1
Z9 1
U1 0
U2 6
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1867-1381
J9 ATMOS MEAS TECH
JI Atmos. Meas. Tech.
PY 2013
VL 6
IS 6
BP 1549
EP 1565
DI 10.5194/amt-6-1549-2013
PG 17
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 193FX
UT WOS:000322545400007
ER
PT J
AU Shim, JH
Powers, HH
Meyer, CW
Knohl, A
Dawson, TE
Riley, WJ
Pockman, WT
McDowell, N
AF Shim, J. H.
Powers, H. H.
Meyer, C. W.
Knohl, A.
Dawson, T. E.
Riley, W. J.
Pockman, W. T.
McDowell, N.
TI Hydrologic control of the oxygen isotope ratio of ecosystem respiration
in a semi-arid woodland
SO BIOGEOSCIENCES
LA English
DT Article
ID TUNABLE DIODE-LASER; GLOBAL 3-DIMENSIONAL MODEL; BOREAL FOREST
ECOSYSTEMS; ATMOSPHERIC WATER-VAPOR; LEAF WATER; RESPIRED CO2;
SOIL-WATER; STABLE-ISOTOPE; CARBON-DIOXIDE; STOMATAL CONDUCTANCE
AB We conducted high frequency measurements of the delta O-18 value of atmospheric CO2 from a juniper (Juniperus monosperma) woodland in New Mexico, USA, over a four-year period to investigate climatic and physiological regulation of the delta O-18 value of ecosystem respiration (delta(R)). Rain pulses reset delta(R) with the dominant water source isotope composition, followed by progressive enrichment of delta(R). Transpiration (E-T) was significantly related to post-pulse delta(R) enrichment because the leaf water delta O-18 value showed strong enrichment with increasing vapor pressure deficit that occurs following rain. Post-pulse delta(R) enrichment was correlated with both E-T and the ratio of E-T to soil evaporation (E-T/E-S). In contrast, the soil water delta O-18 value was relatively stable and delta(R) enrichment was not correlated with E-S. Model simulations captured the large post-pulse delta(R) enrichments only when the offset between xylem and leaf water delta O-18 value was modeled explicitly and when a gross flux model for CO2 retro-diffusion was included. Drought impacts delta(R) through the balance between evaporative demand, which enriches delta(R), and low soil moisture availability, which attenuates delta(R) enrichment through reduced E-T. The net result, observed throughout all four years of our study, was a negative correlation of post-precipitation delta(R) enrichment with increasing drought.
C1 [Shim, J. H.; Powers, H. H.; Meyer, C. W.; McDowell, N.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA.
[Knohl, A.] Univ Gottingen, Chair Bioclimatol, D-37073 Gottingen, Germany.
[Dawson, T. E.] Univ Calif Berkeley, Dept Integrat Biol, Berkeley, CA 94720 USA.
[Riley, W. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Pockman, W. T.] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA.
RP Shim, JH (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, MS-J495, Los Alamos, NM 87545 USA.
EM jeehshim@gmail.com
RI Pockman, William/D-4086-2014; Knohl, Alexander/F-9453-2014; Riley,
William/D-3345-2015
OI Pockman, William/0000-0002-3286-0457; Knohl,
Alexander/0000-0002-7615-8870; Riley, William/0000-0002-4615-2304
FU LANL-Laboratory Directed Research and Development (LDRD); Institute for
Geophysical and Planetary Research (IGPP); Department of Energy, Office
of Science, Office of Biological and Environmental Research (DOE-BER)
FX We appreciate the technical and field support provided by Steve Sargent,
Karen Brown, and numerous undergraduate interns during the four years of
this study. Funding for this project was derived from LANL-Laboratory
Directed Research and Development (LDRD), the Institute for Geophysical
and Planetary Research (IGPP), and the Department of Energy, Office of
Science, Office of Biological and Environmental Research (DOE-BER).
NR 87
TC 3
Z9 3
U1 3
U2 19
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
EI 1726-4189
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2013
VL 10
IS 7
BP 4937
EP 4956
DI 10.5194/bg-10-4937-2013
PG 20
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA 189BT
UT WOS:000322242700035
ER
PT S
AU Mourant, JR
Marina, OC
Sanders, CK
AF Mourant, Judith R.
Marina, Oana C.
Sanders, Claire K.
BE Wax, AP
Backman, V
TI The contribution of specific organelles to side scatter
SO BIOMEDICAL APPLICATIONS OF LIGHT SCATTERING VII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Biomedical Applications of Light Scattering VII
CY FEB 02-04, 2013
CL San Francisco, CA
SP SPIE
DE light scattering; flow cytometry; fluorescence; mitochondria; lysosomes;
nuclei
ID LIGHT-SCATTERING; RAT-LIVER; CELLS; TISSUE
AB Knowledge of which cellular structures scatter light is needed to fully utilize the information available from light scattering measurements of cells and tissues. To determine how specific organelles contribute to light scattering, wide angle side scattering was imaged simultaneously with fluorescence from specific organelles for thousands of cells using flow cytometry. Images were obtained with different depth of field conditions and analyzed with different assumptions. Both sets of data demonstrated that mitochondria and lysosomes, contribute similarly to side scatter. The nucleus contributes as much or more light scatter than either the mitochondria or the lysosomes.
C1 [Mourant, Judith R.; Marina, Oana C.; Sanders, Claire K.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Mourant, JR (reprint author), Los Alamos Natl Lab, MS M888, Los Alamos, NM 87545 USA.
EM jmourant@lanl.gov
RI Backman, Vadim/B-6689-2009
NR 15
TC 0
Z9 0
U1 0
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9361-3
J9 PROC SPIE
PY 2013
VL 8592
AR 85920L
DI 10.1117/12.2008437
PG 7
WC Engineering, Biomedical; Optics
SC Engineering; Optics
GA BFX99
UT WOS:000321858000008
ER
PT J
AU Prozument, K
Shaver, RG
Ciuba, MA
Muenter, JS
Park, GB
Stanton, JF
Guo, H
Wong, BM
Perry, DS
Field, RW
AF Prozument, Kirill
Shaver, Rachel Glyn
Ciuba, Monika A.
Muenter, John S.
Park, G. Barratt
Stanton, John F.
Guo, Hua
Wong, Bryan M.
Perry, David S.
Field, Robert W.
TI A new approach toward transition state spectroscopy
SO FARADAY DISCUSSIONS
LA English
DT Article
ID EXCITED VIBRATIONAL-STATES; LARGE-AMPLITUDE MOTIONS;
PHOTOELECTRON-SPECTROSCOPY; WAVE SPECTROSCOPY; ACETYLENE; VINYLIDENE;
ISOMERIZATION; ENERGY; CM(-1); HCN
AB Chirped-Pulse millimetre-Wave (CPmmW) rotational spectroscopy provides a new class of information about photolysis transition state(s). Measured intensities in rotational spectra determine species-isomer-vibrational populations, provided that the rotational populations can be thermalized. The formation and detection of S-0 vinylidene is discussed in the limits of low and high initial rotational excitation. CPmmW spectra of 193 nm photolysis of vinyl cyanide (acrylonitrile) contain J = 0-1 transitions in more than 20 vibrational levels of HCN and HNC, but no transitions in vinylidene or highly excited local-bender vibrational levels of acetylene. Reasons for the non-observation of the vinylidene co-product of HCN are discussed.
C1 [Prozument, Kirill; Shaver, Rachel Glyn; Park, G. Barratt; Field, Robert W.] MIT, Dept Chem, Cambridge, MA 02139 USA.
[Ciuba, Monika A.] Arizona State Univ, Dept Chem & Biochem, Tempe, AZ 85287 USA.
[Muenter, John S.] Univ Rochester, Dept Chem, Rochester, NY 14627 USA.
[Stanton, John F.] Univ Texas Austin, Dept Chem & Biochem, Austin, TX 78712 USA.
[Guo, Hua] Univ New Mexico, Dept Chem, Albuquerque, NM 87131 USA.
[Wong, Bryan M.] Sandia Natl Labs, Dept Chem Mat, Livermore, CA 94550 USA.
[Perry, David S.] Univ Akron, Dept Chem, Akron, OH 44325 USA.
RP Field, RW (reprint author), MIT, Dept Chem, Cambridge, MA 02139 USA.
EM kuyanov@mit.edu; rshaver@mit.edu; monika.ciuba@asu.edu;
muenter@chem.rochester.edu; barratt@mit.edu; jfstanton@mail.utexas.edu;
hguo@unm.edu; usagi@alum.mit.edu; dperry@uakron.edu; rwfield@mit.edu
RI Wong, Bryan/B-1663-2009; Prozument, Kirill/F-7865-2013; Guo,
Hua/J-2685-2014;
OI Wong, Bryan/0000-0002-3477-8043; Prozument, Kirill/0000-0003-3045-8429;
Guo, Hua/0000-0001-9901-053X; Park, Barratt/0000-0002-8716-220X
FU Department of Energy [DEFG0287ER13671]; Petroleum Research Fund
[50650-ND6]; Air Force Office of Scientific Research [FA9550-09-1-0330];
National Science Foundation [1126380]
FX We are grateful to Dr. Gabriel Just and to Prof. T. A. Miller at The
Ohio State University for sharing their expertise on the slit jet
design, and to Dr. Michel Costes at the University of Bordeaux for
providing us with the multi-channel IOTA ONE driver. RWF thanks the
Department of Energy (grant #DEFG0287ER13671) for primary support of
this work (equipment and personnel support for KP, RGS, GBP, BMW), the
Petroleum Research Fund (grant #50650-ND6) for the support of KP, the
Air Force Office of Scientific Research (contract #FA9550-09-1-0330) for
the support of MC, and the National Science Foundation (grant #1126380)
for equipment and for partial support of GBP. We thank Joshua Baraban
for many experimental and theoretical contributions.
NR 48
TC 18
Z9 18
U1 0
U2 37
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-6640
J9 FARADAY DISCUSS
JI Faraday Discuss.
PY 2013
VL 163
BP 33
EP 57
DI 10.1039/c3fd20160k
PG 25
WC Chemistry, Physical
SC Chemistry
GA 187LN
UT WOS:000322120500002
PM 24020195
ER
PT J
AU King, SB
Yandell, MA
Neumark, DM
AF King, Sarah B.
Yandell, Margaret A.
Neumark, Daniel M.
TI Time-resolved photoelectron imaging of the iodide-thymine and
iodide-uracil binary cluster systems
SO FARADAY DISCUSSIONS
LA English
DT Article
ID DISSOCIATIVE ELECTRON-ATTACHMENT; NUCLEIC-ACID BASES; DNA-STRAND BREAKS;
AB-INITIO; IONIZATION-POTENTIALS; PYRIMIDINE-BASES; RARE TAUTOMERS;
NEGATIVE-IONS; ANIONS; SPECTROSCOPY
AB The energetics and dynamics of thymine and uracil transient negative ions were examined using femtosecond time-resolved photoelectron imaging. The vertical detachment energies (VDEs) of these systems were found to be 4.05 eV and 4.11 eV for iodide-thymine (I-center dot T) and iodide-uracil (I-center dot U) clusters, respectively. An ultraviolet pump pulse was used to promote intracluster charge transfer from iodide to the nucleobase. Subsequent electron detachment using an infrared probe pulse monitored the dynamics of the resulting transient negative ion. Photoelectron spectra reveal two primary features: a near-zero electron kinetic energy signal attributed to autodetachment and a transient feature representing photodetachment from the excited anion state. The transient state exhibits biexponential decay in both thymine and uracil complexes with short and long decay time constants ranging from 150-600 fs and 1-50 ps, respectively, depending on the excitation energy. However, both time constants are systematically shorter for I-center dot T. Vibrational autodetachment and iodine loss are identified as the primary decay mechanisms of the transient negative ions of thymine and uracil.
C1 [King, Sarah B.; Yandell, Margaret A.; Neumark, Daniel M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Neumark, Daniel M.] Lawrence Berkeley Natl Lab, Chem Sci Div, Berkeley, CA 94702 USA.
RP Neumark, DM (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM dneumark@berkeley.edu
RI Neumark, Daniel/B-9551-2009
OI Neumark, Daniel/0000-0002-3762-9473
FU National Science Foundation (NSF) [CHE-1011819]; NSF
FX This research is supported by the National Science Foundation (NSF)
under grant CHE-1011819. S.B.K. and M.A.Y. are grateful for funding
through NSF Graduate Research Fellowships.
NR 55
TC 17
Z9 17
U1 5
U2 37
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-6640
J9 FARADAY DISCUSS
JI Faraday Discuss.
PY 2013
VL 163
BP 59
EP 72
DI 10.1039/c3fd20158a
PG 14
WC Chemistry, Physical
SC Chemistry
GA 187LN
UT WOS:000322120500003
PM 24020196
ER
PT J
AU Kelley, ST
Gilbert, JA
AF Kelley, Scott T.
Gilbert, Jack A.
TI Studying the microbiology of the indoor environment
SO GENOME BIOLOGY
LA English
DT Review
ID RIBOSOMAL-RNA GENE; HUMAN SKIN MICROBIOTA; BACTERIAL COMMUNITIES;
PHYLOGENETIC DIVERSITY; MOLECULAR ANALYSIS; QUANTITATIVE PCR; CULTURE;
WATER; AIR; METAGENOMICS
AB The majority of people in the developed world spend more than 90% of their lives indoors. Here, we examine our understanding of the bacteria that co-inhabit our artificial world and how they might influence human health.
C1 [Kelley, Scott T.] San Diego State Univ, Dept Biol, San Diego, CA 92182 USA.
[Gilbert, Jack A.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA.
RP Kelley, ST (reprint author), San Diego State Univ, Dept Biol, 5500 Campanile Dr, San Diego, CA 92182 USA.
EM skelley@mail.sdsu.edu
FU Alfred P Sloan Foundation; US Department of Energy [DE-AC02-06CH11357]
FX This work was supported in part by a grant from the Alfred P Sloan
Foundation and the US Department of Energy under Contract
DE-AC02-06CH11357.
NR 77
TC 35
Z9 36
U1 3
U2 64
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1465-6906
J9 GENOME BIOL
JI Genome Biol.
PY 2013
VL 14
IS 2
AR 202
DI 10.1186/gb-2013-14-2-202
PG 9
WC Biotechnology & Applied Microbiology; Genetics & Heredity
SC Biotechnology & Applied Microbiology; Genetics & Heredity
GA 191BY
UT WOS:000322388800014
PM 23514020
ER
PT J
AU Lu, AH
Dai, S
AF Lu, An-Hui
Dai, Sheng
TI Themed issue on porous carbon materials
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Editorial Material
C1 [Lu, An-Hui] Dalian Univ Technol, Sch Chem Engn, State Key Lab Fine Chem, Dalian 116024, Peoples R China.
[Dai, Sheng] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Lu, AH (reprint author), Dalian Univ Technol, Sch Chem Engn, State Key Lab Fine Chem, LingGong Rd 2, Dalian 116024, Peoples R China.
EM anhuilu@dlut.edu.cn; dais@ornl.gov
RI Dai, Sheng/K-8411-2015
OI Dai, Sheng/0000-0002-8046-3931
NR 0
TC 3
Z9 3
U1 0
U2 31
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 33
BP 9326
EP 9326
DI 10.1039/c3ta90211k
PG 1
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 192HT
UT WOS:000322475600001
ER
PT J
AU Adcock, JL
Fulvio, PF
Dai, S
AF Adcock, Jamie L.
Fulvio, Pasquale F.
Dai, Sheng
TI Towards the selective modification of soft-templated mesoporous carbon
materials by elemental fluorine for energy storage devices
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID LOW-TEMPERATURE FLUORINATION; LITHIUM-ION BATTERIES; ELECTROCHEMICAL
PROPERTIES; ELECTRODE MATERIALS; BLOCK-COPOLYMERS; PETROLEUM COKES;
GRAPHITE; STABILITY; FULLERENE; TRANSFORMATION
AB Graphite fluoride is classified into (CF)(n) and (C2F)(n) types based on its structure and composition. The former (CF) n has been widely prepared and commercially utilized as electrodes in primary lithium ion batteries (LIBs). Porous electrodes, i.e. templated mesoporous carbons, can greatly improve first Coulombic efficiencies. For achieving the highest discharge potentials and rate capabilities, the extent of fluorination reactions and the retention of a conductive carbon backbone are required. Hence, the choice of the starting carbon nanomaterial and of the fluorination conditions is detrimental to the design of future energy storage and conversion devices, namely LIBs and pseudosupercapacitors.
C1 [Adcock, Jamie L.; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Fulvio, Pasquale F.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
RP Fulvio, PF (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM fulviopf@ornl.gov; dais@ornl.gov
RI Fulvio, Pasquale/B-2968-2014; Dai, Sheng/K-8411-2015
OI Fulvio, Pasquale/0000-0001-7580-727X; Dai, Sheng/0000-0002-8046-3931
FU Fluid Interface Reactions, Structures, and Transport (FIRST) Center, an
Energy Frontier Research Center; U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences
FX The authors were supported as part of the Fluid Interface Reactions,
Structures, and Transport (FIRST) Center, an Energy Frontier Research
Center funded by the U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences (PFF and SD).
NR 63
TC 8
Z9 8
U1 2
U2 60
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 33
BP 9327
EP 9331
DI 10.1039/c3ta10700k
PG 5
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 192HT
UT WOS:000322475600002
ER
PT J
AU Morris, JR
Contescu, CI
Chisholm, MF
Cooper, VR
Guo, J
He, L
Ihm, Y
Mamontov, E
Melnichenko, YB
Olsen, RJ
Pennycook, SJ
Stone, MB
Zhang, H
Gallego, NC
AF Morris, J. R.
Contescu, C. I.
Chisholm, M. F.
Cooper, V. R.
Guo, J.
He, L.
Ihm, Y.
Mamontov, E.
Melnichenko, Y. B.
Olsen, R. J.
Pennycook, S. J.
Stone, M. B.
Zhang, H.
Gallego, N. C.
TI Modern approaches to studying gas adsorption in nanoporous carbons
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID ANGLE NEUTRON-SCATTERING; ACTIVATED CARBONS; MOLECULAR-HYDROGEN; CO2
CAPTURE; GRAPHITE; COAL; TRANSITION; GRAPHENE; PROPANE; METHANE
AB Conventional approaches to understanding the gas adsorption capacity of nanoporous carbons have emphasized the relationship with the effective surface area, but more recent work has demonstrated the importance of local structures and pore-size-dependent adsorption. These developments provide new insights into local structures in nanoporous carbon and their effect on gas adsorption and uptake characteristics. Experiments and theory show that appropriately tuned pores can strongly enhance local adsorption, and that pore sizes can be used to tune adsorption characteristics. In the case of H-2 adsorbed on nanostructured carbon, quasielastic and inelastic neutron scattering probes demonstrate novel quantum effects in the motion of adsorbed molecules.
C1 [Morris, J. R.; Contescu, C. I.; Chisholm, M. F.; Cooper, V. R.; Olsen, R. J.; Pennycook, S. J.; Zhang, H.; Gallego, N. C.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Morris, J. R.; Guo, J.; Ihm, Y.] Univ Tennessee, Dept Mat Sci & Engn, Oak Ridge, TN 37996 USA.
[He, L.; Mamontov, E.; Melnichenko, Y. B.; Stone, M. B.] Oak Ridge Natl Lab, Neutron Sci Directorate, Oak Ridge, TN 37831 USA.
RP Morris, JR (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
EM morrisj@ornl.gov; gallegonc@ornl.gov
RI Stone, Matthew/G-3275-2011; Cooper, Valentino /A-2070-2012; Mamontov,
Eugene/Q-1003-2015; BL18, ARCS/A-3000-2012; guo, junjie/I-3189-2012;
Morris, J/I-4452-2012;
OI Stone, Matthew/0000-0001-7884-9715; Cooper, Valentino
/0000-0001-6714-4410; Mamontov, Eugene/0000-0002-5684-2675; guo,
junjie/0000-0002-3414-3734; Morris, J/0000-0002-8464-9047; Contescu,
Cristian/0000-0002-7450-3722; He, Lilin/0000-0002-9560-8101; Gallego,
Nidia/0000-0002-8252-0194
FU U.S. Department of Energy (DOE), Basic Energy Sciences (BES), Materials
Sciences and Engineering Division; U.S. Department of Energy Office of
Energy Efficiency and Renewable Energy (DOE-EERE); Scientific User
Facility Division, Office of Basic Energy Sciences, U.S. Department of
Energy; DOE-BES
FX JRM thanks Mina Yoon for helpful comments on the manuscript. Research by
JRM, CIC, NCG, JG, MFC, VRC, SJP, HZ and YI was supported by the U.S.
Department of Energy (DOE), Basic Energy Sciences (BES), Materials
Sciences and Engineering Division. HZ acknowledges appointment under the
ORNL Postdoctoral Associate Program administered jointly by Oak Ridge
Institute for Science and Education and Oak Ridge Associated
Universities. RJO was supported from the U.S. Department of Energy
Office of Energy Efficiency and Renewable Energy (DOE-EERE) postdoctoral
research award under the EERE Fuel Cell Technologies Program. Neutron
scattering experiments were conducted at Oak Ridge National Laboratory's
Spallation Neutron Source (SNS) and High Flux Isotope Reactor (HFIR),
supported by the Scientific User Facility Division, Office of Basic
Energy Sciences, U.S. Department of Energy. We also acknowledge computer
time from the National Energy Research Scientific Computing Center
(NERSC) of DOE. The microscopy was also supported through a user project
with ORNL's Shared Research Equipment (ShaRE) User Program, which is
also sponsored by DOE-BES.
NR 54
TC 15
Z9 15
U1 6
U2 64
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 33
BP 9341
EP 9350
DI 10.1039/c3ta10701a
PG 10
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 192HT
UT WOS:000322475600004
ER
PT J
AU Fulvio, PF
Veith, GM
Adcock, JL
Brown, SS
Mayes, RT
Wang, XQ
Mahurin, SM
Guo, BK
Sun, XG
Puretzky, AA
Rouleau, CM
Geohegan, DB
Dai, S
AF Fulvio, Pasquale F.
Veith, Gabriel M.
Adcock, Jamie L.
Brown, Suree S.
Mayes, Richard T.
Wang, Xiqing
Mahurin, Shannon M.
Guo, Bingkun
Sun, Xiao-Guang
Puretzky, Alex A.
Rouleau, Christopher M.
Geohegan, David B.
Dai, Sheng
TI Fluorination of "brick and mortar" soft-templated graphitic ordered
mesoporous carbons for high power lithium-ion battery
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID PETROLEUM COKES; TRANSFORMATION; PERFORMANCE; FRAMEWORKS; POLYMERS; GAS
AB Ordered mesoporous carbon-graphitic carbon composites prepared by the "brick and mortar" method were fluorinated using F-2 and investigated as cathodes for primary lithium batteries. The resulting materials have a rich array of C-F species, as measured by XPS, which influence conduction and voltage profiles.
C1 [Fulvio, Pasquale F.; Mayes, Richard T.; Wang, Xiqing; Mahurin, Shannon M.; Guo, Bingkun; Sun, Xiao-Guang; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Veith, Gabriel M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Adcock, Jamie L.; Brown, Suree S.; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Puretzky, Alex A.; Rouleau, Christopher M.; Geohegan, David B.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM dais@ornl.gov
RI Guo, Bingkun/J-5774-2014; Fulvio, Pasquale/B-2968-2014; Wang,
Xiqing/E-3062-2010; Rouleau, Christopher/Q-2737-2015; Puretzky,
Alexander/B-5567-2016; Dai, Sheng/K-8411-2015; Geohegan,
David/D-3599-2013; Mayes, Richard/G-1499-2016
OI Fulvio, Pasquale/0000-0001-7580-727X; Wang, Xiqing/0000-0002-1843-008X;
Rouleau, Christopher/0000-0002-5488-3537; Puretzky,
Alexander/0000-0002-9996-4429; Dai, Sheng/0000-0002-8046-3931; Geohegan,
David/0000-0003-0273-3139; Mayes, Richard/0000-0002-7457-3261
FU U.S. Department of Energy's Office of Basic Energy Science, Division of
Materials Sciences and Engineering; Fluid Interface Reactions,
Structures, and Transport (FIRST) Center, an Energy Frontier Research
Center; U.S. Department of Energy, Office of Science, Office of Basic
Energy Sciences; Scientific User Facilities Division, Office of Basic
Energy Sciences, U.S. Department of Energy
FX This work was supported by the U.S. Department of Energy's Office of
Basic Energy Science, Division of Materials Sciences and Engineering. PF
and SM in synthesis of mesoporous carbons were supported by the Fluid
Interface Reactions, Structures, and Transport (FIRST) Center, an Energy
Frontier Research Center funded by the U.S. Department of Energy, Office
of Science, Office of Basic Energy Sciences. A portion of this research
was performed 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 27
TC 5
Z9 5
U1 3
U2 62
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 33
BP 9414
EP 9417
DI 10.1039/c3ta10710h
PG 4
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 192HT
UT WOS:000322475600010
ER
PT J
AU Xiao, LF
Cao, YL
Xiao, J
Schwenzer, B
Engelhard, MH
Saraf, LV
Nie, ZM
Exarhos, GJ
Liu, J
AF Xiao, Lifen
Cao, Yuliang
Xiao, Jie
Schwenzer, Birgit
Engelhard, Mark H.
Saraf, Laxmikant V.
Nie, Zimin
Exarhos, Gregory J.
Liu, Jun
TI Molecular structures of polymer/sulfur composites for lithium-sulfur
batteries with long cycle life
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID RAY PHOTOELECTRON-SPECTROSCOPY; IONIC LIQUID ELECTROLYTE; CATHODE
MATERIALS; ELECTROCHEMICAL PROPERTIES; IMPEDANCE SPECTROSCOPY; CARBON
COMPOSITES; S BATTERIES; POLYANILINE; PERFORMANCE; NANOTUBES
AB Vulcanized polyaniline/sulfur (SPANI/S) nanostructures were investigated for Li-S battery applications, but the detailed molecular structures of such composites have not been fully illustrated. In this paper, we synthesize SPANI/S composites with different S content in a nanorod configuration. FTIR, Raman, XPS, XRD, SEM and elemental analysis methods are used to characterize the molecular structure of the materials. We provide clear evidence that a portion of S was grafted on PANI during heating and connected the PANI chains with disulfide bonds to form a crosslinked network and the rest of S was encapsulated within it. Polysulfides and elementary S nanoparticles are physically trapped inside the polymer network and are not chemically bound to the polymer. The performance of the composites is further improved by reducing the particle size. After 200 cycles, a capacity retention rate of 80.4, 80.5, 87.6, and 90.0% is observed at 0.1, 0.2, 0.5 and 1 C respectively in the SPANI/S composite with 55% S content.
C1 [Xiao, Lifen] Cent China Normal Univ, Coll Chem, Wuhan 430079, Peoples R China.
[Cao, Yuliang] Wuhan Univ, Coll Chem & Mol Sci, Wuhan 430072, Peoples R China.
[Xiao, Lifen; Cao, Yuliang; Xiao, Jie; Schwenzer, Birgit; Engelhard, Mark H.; Saraf, Laxmikant V.; Nie, Zimin; Exarhos, Gregory J.; Liu, Jun] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Cao, YL (reprint author), Wuhan Univ, Coll Chem & Mol Sci, Wuhan 430072, Peoples R China.
EM ylcao@whu.edu.cn; Jun.Liu@pnnl.gov
OI Schwenzer, Birgit/0000-0002-7872-1372; Engelhard,
Mark/0000-0002-5543-0812
FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences,
Division of Materials Sciences and Engineering [KC020105-FWP12152];
National Natural Science Foundation of China [21273090]; Department of
Energy's Office of Biological and Environmental Research; DOE by
Battelle [DE-AC05-76RL01830]
FX This research is supported by the U.S. Department of Energy (DOE),
Office of Basic Energy Sciences, Division of Materials Sciences and
Engineering under Award KC020105-FWP12152. Xiao would like to
acknowledge the support by the National Natural Science Foundation of
China (no. 21273090). The TEM and XPS were conducted at the
Environmental and Molecular Sciences Laboratory, a national scientific
user facility sponsored by the Department of Energy's Office of
Biological and Environmental Research and located at the Pacific
Northwest National Laboratory. The Pacific Northwest National Laboratory
(PNNL) is a multiprogram national laboratory operated for DOE by
Battelle under Contract DE-AC05-76RL01830.
NR 51
TC 34
Z9 34
U1 11
U2 141
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
EI 2050-7496
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 33
BP 9517
EP 9526
DI 10.1039/c3ta10865a
PG 10
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 192HT
UT WOS:000322475600025
ER
PT J
AU Torok, J
Del Re, R
Herbol, H
Das, S
Bocharova, I
Paolucci, A
Ocola, LE
Ventrice, C
Lifshin, E
Denbeaux, G
Brainard, RL
AF Torok, Justin
Del Re, Ryan
Herbol, Henry
Das, Sanjana
Bocharova, Irina
Paolucci, Angela
Ocola, Leonidas E.
Ventrice, Carl, Jr.
Lifshin, Eric
Denbeaux, Greg
Brainard, Robert L.
TI Secondary Electrons in EUV Lithography
SO JOURNAL OF PHOTOPOLYMER SCIENCE AND TECHNOLOGY
LA English
DT Article
ID ENERGY-LOSS SPECTROSCOPY; CHEMICALLY AMPLIFIED RESISTS;
X-RAY-LITHOGRAPHY; INELASTIC INTERACTIONS; ACID YIELD; SIMULATION; BEAM;
MICROSCOPY; SOLIDS; RANGE
AB Secondary electrons play critical roles in several imaging technologies, including extreme ultraviolet (EUV) lithography. At longer wavelengths of light (e.g. 193 and 248 nm), the photons are directly involved in the photochemistry occurring during photolysis. EUV light (13.5 um, 92 eV), however, first creates a photoelectron, and this electron, or its subsequent daughter electrons create most of the chemical changes that occur during exposure. Despite the importance of these electrons, the details surrounding the chemical events leading to acid production remain poorly understood. Previously reported experimental results using high PAG-loaded resists have demonstrated that up to five or six photoacids can be generated per incident photon. Until recently, only electron recombination events were thought to play a role in acid generation, requiring that at least as many secondary electrons are produced to yield a given number of acid molecules. However, the initial results we have obtained using a Monte Carlo-based modeling program, LESiS, demonstrate that only two to three secondary electrons are made per absorbed EUV photon. A more comprehensive understanding of EUV-induced acid generation is therefore needed for the development of higher performance resists.
C1 [Torok, Justin; Del Re, Ryan; Herbol, Henry; Das, Sanjana; Bocharova, Irina; Paolucci, Angela; Ventrice, Carl, Jr.; Lifshin, Eric; Denbeaux, Greg; Brainard, Robert L.] SUNY Albany, Coll Nanoscale Sci & Engn, Albany, NY 12222 USA.
[Ocola, Leonidas E.] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Torok, J (reprint author), SUNY Albany, Coll Nanoscale Sci & Engn, Albany, NY 12222 USA.
OI Ocola, Leonidas/0000-0003-4990-1064
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]; College of Nanoscale Science and
Engineering (CNSE)
FX We thank the College of Nanoscale Science and Engineering (CNSE) and
specifically, Senior Vice President Alain Kaleyeros for financial
support of this project. We also thank the supplier of our commercial
resist. Additionally, we thank Brian Cardineau, Bill Earley, Yudhishthir
Kandel, Tim Groves, and Alain Diebold for helpful discussions. The use
of the Center for Nanoscale Materials, 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.
NR 39
TC 15
Z9 15
U1 0
U2 19
PU TECHNICAL ASSOC PHOTOPOLYMERS,JAPAN
PI CHIBA
PA CHIBA UNIV, FACULTY ENGINEERING, YAYOICHO, CHIBA, 263-8522, JAPAN
SN 0914-9244
J9 J PHOTOPOLYM SCI TEC
JI J. Photopolym Sci. Technol.
PY 2013
VL 26
IS 5
BP 625
EP 634
PG 10
WC Polymer Science
SC Polymer Science
GA 192RW
UT WOS:000322504000009
ER
PT J
AU Fujita, EM
Campbell, DE
Stockwell, WR
Lawson, DR
AF Fujita, Eric M.
Campbell, David E.
Stockwell, William R.
Lawson, Douglas R.
TI Past and future ozone trends in California's South Coast Air Basin:
Reconciliation of ambient measurements with past and projected emission
inventories
SO JOURNAL OF THE AIR & WASTE MANAGEMENT ASSOCIATION
LA English
DT Article
ID WEEKDAY; QUALITY; TUNNEL; NOX
AB This paper updates the historic trends (1980-2010) in ambient ozone and ozone precursor concentrations in the South Coast Air Basin (SoCAB) and examines the evolution of the ozone-precursor relationship in the Basin. Whereas reductions in NOx (oxide of nitrogen) emissions have decreased nitrate and PM2.5 (particulate matter with an aerodynamic diameter 2.5 m) concentrations in the Basin during the past decade, ozone levels have increased at the central basin locations since about 2005 following a reversal in the decline of volatile organic compound (VOC)/NOx ratios during the previous two decades. A chemical box model was used to simulate the effects of changes in precursor concentrations on ozone formation using day-of-week-specific initial precursor concentrations that were derived from measurements and projected to 2020 based on expected emission reductions from 2005 (-10% VOC and-50% NOx). Results show that peak ozone formation rates in 2020 will increase on weekdays by a factor of 3 relative to 2005 and will be comparable to 1995 weekday and 2005 Sunday rates. Ozone production will become precursor limited on Sundays in 2020, but with higher initial rates than 2005. Although a greater NOx reduction scenario in 2020 of-75% will result in even higher initial ozone formation rates, precursor limitation is reached quickly, leading to a further shift westward in the location of peak ozone levels. However, ozone levels will likely be lower in downwind areas where transport is more important than local production of ozone. The ambient versus emission inventory reconciliation indicates a factor of 2 underestimation of VOC emissions in 2009 relative to NOx. Other analyses suggest that there is an overall increase in VOC emissions on hot days that is not fully accounted for by emission inventory estimates. Air quality models using emission inventories that underestimate VOC emissions relative to NOx may lead to inaccurate forecasting of the consequence of emission reductions.
Implications: The rate and efficiency of ozone formation and accumulation in the SoCAB is more rapid than would be indicated by air quality model simulations based on the current inventory. Projected reductions in NOx emissions without concurrent reductions in VOC emissions will likely cause ozone to increase during the next decade within central regions of the SoCAB compared with a flat or slightly declining trend in far downwind locations. Air quality statistics that are commonly used to track progress toward attainment, such as basin-wide ozone design value and standard exceedances mask these varying trends within the Basin.
C1 [Fujita, Eric M.; Campbell, David E.] Nevada Syst Higher Educ, Desert Res Inst, Div Atmospher Sci, Reno, NV USA.
[Stockwell, William R.] Howard Univ, Dept Chem, Washington, DC 20059 USA.
[Lawson, Douglas R.] Natl Renewable Energy Lab, Golden, CO USA.
RP Fujita, EM (reprint author), Desert Res Inst, Div Atmospher Sci, 2215 Raggio Pkwy, Reno, NV 89512 USA.
EM Eric.Fujita@dri.edu
OI Stockwell, William/0000-0002-7509-6575
FU Department of Energy Office of Vehicle Technologies through the National
Renewable Energy Laboratory
FX This project was funded by the Department of Energy Office of Vehicle
Technologies (Dr. James Eberhardt, Chief Scientist) through the National
Renewable Energy Laboratory. The authors thank Joe Cassmasi and Xinqiu
Zhang of the South Coast Air Quality Management District for the
modeling emission inventory data.
NR 32
TC 11
Z9 11
U1 4
U2 28
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA
SN 1096-2247
J9 J AIR WASTE MANAGE
JI J. Air Waste Manage. Assoc.
PD JAN 1
PY 2013
VL 63
IS 1
BP 54
EP 69
DI 10.1080/10962247.2012.735211
PG 16
WC Engineering, Environmental; Environmental Sciences; Meteorology &
Atmospheric Sciences
SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric
Sciences
GA 194LZ
UT WOS:000322636100007
PM 23447864
ER
PT S
AU Hehlen, MP
Mueller, AH
Weisse-Bernstein, NR
Epstein, RI
AF Hehlen, Markus P.
Mueller, Alexander H.
Weisse-Bernstein, Nina R.
Epstein, Richard I.
BE Epstein, RI
Seletskiy, DV
SheikBahae, M
TI Electrocaloric refrigerator using electrohydrodynamic flows in
dielectric fluids
SO LASER REFRIGERATION OF SOLIDS VI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Laser Refrigeration of Solids VI
CY FEB 06-07, 2013
CL San Francisco, CA
SP SPIE
DE Electrocaloric refrigerator; electrohydrodynamic (EHD) flow; dielectric
fluid; thin film heat switch
ID THERMAL-CONDUCTIVITY; ROOM-TEMPERATURE; HEAT-TRANSFER; FILM; EFFICIENCY;
PUMP
AB Heat switches are a key enabling element of efficient refrigerators that are based on the electrocaloric effect. We demonstrate a new concept for a heat switch that is based on micro-scale electrohydrodynamic (EHD) flows in thin layers of dielectric fluids. In this device, convective flow of the fluid is controlled by applying an electric field across the fluid layer. This creates a heat switch that can be cycled between a "closed" state with efficient convective heat transport and an "open" state with less efficient conductive heat transport. Substantial switching of the thermal transport coefficient was achieved in 500 mu m thick layers of commercial hydrofluoroethers and bias voltages of typically 390 V. The efficacy of the heat switch varied by almost four orders of magnitude for different biasing schemes. The highest efficacy was achieved by biasing a patterned strip electrode and using a planar ground electrode. A preliminary experiment found a thermal conductivity contrast of 4.7 +/- 1.1 for the switch in the closed vs. open state. We also characterize the electrocaloric response of commercial multilayer ceramic chip capacitors and show that they can serve as serve as a useful surrogate material for first-generation electrocaloric refrigerators until higher performing multilayer structures of ferroelectric polymers are available.
C1 [Hehlen, Markus P.; Mueller, Alexander H.; Weisse-Bernstein, Nina R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Hehlen, MP (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
OI Epstein, Richard/0000-0002-3929-4363
NR 36
TC 1
Z9 1
U1 0
U2 9
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9407-8
J9 PROC SPIE
PY 2013
VL 8638
AR 86380D
DI 10.1117/12.2004009
PG 13
WC Optics; Physics, Applied
SC Optics; Physics
GA BFX97
UT WOS:000321854200008
ER
PT J
AU Woodson, LE
Wells, BK
Weber, PK
MacFarlane, RB
Whitman, GE
Johnson, RC
AF Woodson, Lindsay E.
Wells, Brian K.
Weber, Peter K.
MacFarlane, R. Bruce
Whitman, George E.
Johnson, Rachel C.
TI Size, growth, and origin-dependent mortality of juvenile Chinook salmon
Oncorhynchus tshawytscha during early ocean residence
SO MARINE ECOLOGY PROGRESS SERIES
LA English
DT Article
DE Critical period; Otolith; California Current; Hatchery; Gulf of the
Farralones
ID SELECTIVE MORTALITY; CALIFORNIA CURRENT; BRITISH-COLUMBIA; CENTRAL
VALLEY; CHUM SALMON; COHO SALMON; PINK SALMON; OTOLITH MICROSTRUCTURE;
MARINE MORTALITY; SOCKEYE-SALMON
AB Selective mortality during early life history stages can have significant population-level consequences, yet critical periods when selective mortality occurs, the strength of selection, and under what environmental conditions can be difficult to identify. Here, we used otolith microstructure and chemistry to examine the factors potentially linked to selective mortality of juvenile fall-run Chinook salmon Oncorhynchus tshawytscha from California's Central Valley during early ocean residence. Back-calculated size and growth rates of the population were compared across 3 sample periods: as juveniles exited the San Francisco Bay estuary (estuary-exit), after their first month at sea (summer-ocean) and 5 mo after ocean entry (fall-ocean). We compared mortality dynamics during years of exceptional recruitment (addition of individuals to harvestable population; 2000 and 2001) to a year of poor recruitment (2005). Otoliths from 2005 were also analyzed for sulfur isotopes to discern hatchery from naturally spawned stock. Significant size and growth-rate selective mortality were detected during the first month at sea in the low recruitment year of 2005, but not in 2000 and 2001. Individuals that were larger and growing faster during freshwater and estuarine rearing were more likely to survive to summer and fall in the low recruitment year. There was a slight, but insignificant, increase in the proportion of hatchery to naturally spawned individuals from estuary-exit to fall-ocean, suggesting that fish from neither origin were overwhelmingly favored. Our results suggest that Central Valley Chinook salmon can be subject to significant size and growth-rate selective mortality resulting in low adult abundance, and this mortality appears independent of origin.
C1 [Woodson, Lindsay E.; Wells, Brian K.; MacFarlane, R. Bruce] NOAA, Fisheries Ecol Div, Southwest Fisheries Sci Ctr, Natl Marine Fisheries Serv, Santa Cruz, CA 95060 USA.
[Weber, Peter K.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
[Whitman, George E.; Johnson, Rachel C.] Univ Calif Santa Cruz, Inst Marine Sci, Santa Cruz, CA 95064 USA.
[Johnson, Rachel C.] US Bur Reclamat, Bay Delta Off, Sacramento, CA 95825 USA.
RP Woodson, LE (reprint author), NOAA, Fisheries Ecol Div, Southwest Fisheries Sci Ctr, Natl Marine Fisheries Serv, 110 Shaffer Rd, Santa Cruz, CA 95060 USA.
EM lindsay.e.woodson@gmail.com
FU California Sea Grant; Bureau of Reclamation for the Central Valley
Aquatic Ecosystem Investigations , alifornia Cooperative Ecosystem
Studies Unit; NOAA fisheries Southwest Fisheries Science Center
FX We acknowledge the essential support of the Delta Science Fellows
Program administered by California Sea Grant and funded by the Bureau of
Reclamation for the Central Valley Aquatic Ecosystem Investigations as
part of the California Cooperative Ecosystem Studies Unit. This
publication was prepared by L.E.W. under USBR Agreement R09AC20043,
California Sea Grant College Program Project R/SFBR-31. The statements,
findings, conclusions, and recommendations are those of the author(s)
and do not necessarily reflect the views of California Sea Grant, Bureau
of Reclamation or the US Department of the Interior. We thank A. Schmitt
and K. McKeegan for invaluable assistance and use of the secondary ion
mass spectrometer at the University of California, Los Angeles, WM Keck
Foundation Center for Isotope Geochemistry for otolith sulfur isotopic
analyses, F. Loge for providing laboratory space and use of equipment at
the University of California Davis, and NOAA fisheries Southwest
Fisheries Science Center for additional funding. Thank you to the SWFSC
Salmon Ecology team for the collection and preservation of the
historical data sets. We thank C. Grimes, C. Michel, C. Phillis, and 3
anonymous reviewers whose comments greatly improved this manuscript. We
are particularly grateful to P. Koch, E. Van Nieuwenhuyse, J. Hannon,
and S. Oh for their support and assistance in making this project
possible.
NR 62
TC 25
Z9 24
U1 1
U2 38
PU INTER-RESEARCH
PI OLDENDORF LUHE
PA NORDBUNTE 23, D-21385 OLDENDORF LUHE, GERMANY
SN 0171-8630
EI 1616-1599
J9 MAR ECOL PROG SER
JI Mar. Ecol.-Prog. Ser.
PY 2013
VL 487
BP 163
EP 175
DI 10.3354/meps10353
PG 13
WC Ecology; Marine & Freshwater Biology; Oceanography
SC Environmental Sciences & Ecology; Marine & Freshwater Biology;
Oceanography
GA 193QV
UT WOS:000322577400014
ER
PT S
AU Jameson, JR
Albert, CI
Busse, B
Smith, PA
Harris, GF
AF Jameson, John R.
Albert, Carolyne I.
Busse, Bjoern
Smith, Peter A.
Harris, Gerald F.
BE Weaver, JB
Molthen, RC
TI 3D micron-scale imaging of the cortical bone canal network in human
osteogenesis imperfecta (OI)
SO MEDICAL IMAGING 2013: BIOMEDICAL APPLICATIONS IN MOLECULAR, STRUCTURAL,
AND FUNCTIONAL IMAGING
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Medical Imaging - Biomedical Applications in Molecular,
Structural, and Functional Imaging
CY FEB 10-13, 2013
CL Lake Buena Vista, FL
SP SPIE, Aeroflex Inc, Univ Cent Florida, CREOL Coll Opt & Photon, DQE Instruments Inc, Medtronic Inc, PIXELTEQ
DE Osteogenesis imperfecta; brittle bone disease; micro-computed
tomography; synchrotron; cortical porosity; bone microstructure;
strength; pediatric bone
ID SYNCHROTRON-RADIATION MICROTOMOGRAPHY; HISTOMORPHOMETRY; ADULTS;
TOUGHNESS; CHILDREN; IMAGEJ
AB Osteogenesis imperfecta (OI) is a genetic disorder leading to increased bone fragility. Recent work has shown that the hierarchical structure of bone plays an important role in determining its mechanical properties and resistance to fracture. The current study represents one of the first attempts to characterize the 3D structure and composition of cortical bone in OI at the micron-scale. A total of 26 pediatric bone fragments from 18 individuals were collected during autopsy (N-c=5) or routing orthopaedic procedures (N-OI=13) and imaged by microtomography with a synchrotron light source (SR mu CT) for several microstructural parameters including cortical porosity (Ca.V/TV), canal surface to tissue volume (Ca.S/TV), canal diameter (Ca.Dm), canal separation (Ca.Sp), canal connectivity density (Ca.ConnD), and volumetric tissue mineral density (TMD). Results indicated significant differences in all imaging parameters between pediatric controls and OI tissue, with OI bone showing drastically increased cortical porosity, canal diameter, and connectivity. Preliminary mechanical testing revealed a possible link between cortical porosity and strength. Together these results suggest that the pore network in OI contributes greatly to its reduced mechanical properties.
C1 [Jameson, John R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Jameson, JR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
RI Busse, Bjorn/O-8462-2016
OI Busse, Bjorn/0000-0002-3099-8073
NR 25
TC 0
Z9 0
U1 1
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9446-7
J9 PROC SPIE
PY 2013
VL 8672
AR 86721L
DI 10.1117/12.2007209
PG 9
WC Engineering, Biomedical; Optics; Radiology, Nuclear Medicine & Medical
Imaging
SC Engineering; Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BFY76
UT WOS:000321907600053
ER
PT S
AU Williams, AC
Hitt, A
Voisin, S
Tourassi, G
AF Williams, Alex C.
Hitt, Austin
Voisin, Sophie
Tourassi, Georgia
BE Novak, CL
Aylward, S
TI Automated assessment of bilateral breast volume asymmetry as a breast
cancer biomarker during mammographic screening
SO MEDICAL IMAGING 2013: COMPUTER-AIDED DIAGNOSIS
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Medical Imaging - Computer-Aided Diagnosis
CY FEB 12-14, 2013
CL Lake Buena Vista, FL
SP SPIE, Aeroflex Inc, Univ Cent Florida, CREOL Coll Opt & Photon, DQE Instruments Inc, Medtronic Inc, PIXELTEQ
DE mammography; breast cancer; diagnosis; fluctuating asymmetry; imaging
biomarker
ID COMPUTERIZED DETECTION; DIGITIZED MAMMOGRAMS; LOBULAR CARCINOMA; MASSES;
SIZE; SUBTRACTION
AB The biological concept of bilateral symmetry as a marker of developmental stability and good health is well established. Although most individuals deviate slightly from perfect symmetry, humans are essentially considered bilaterally symmetrical. Consequently, increased fluctuating asymmetry of paired structures could be an indicator of disease. There are several published studies linking bilateral breast size asymmetry with increased breast cancer risk. These studies were based on radiologists' manual measurements of breast size from mammographic images. We aim to develop a computerized technique to assess fluctuating breast volume asymmetry in screening mammograms and investigate whether it correlates with the presence of breast cancer. Using a large database of screening mammograms with known ground truth we applied automated breast region segmentation and automated breast size measurements in CC and MLO views using three well established methods. All three methods confirmed that indeed patients with breast cancer have statistically significantly higher fluctuating asymmetry of their breast volumes. However, statistically significant difference between patients with cancer and benign lesions was observed only for the MLO views. The study suggests that automated assessment of global bilateral asymmetry could serve as a breast cancer risk biomarker for women undergoing mammographic screening. Such biomarker could be used to alert radiologists or computer-assisted detection (CAD) systems to exercise increased vigilance if higher than normal cancer risk is suspected.
C1 [Voisin, Sophie; Tourassi, Georgia] Oak Ridge Natl Lab, Biomed Sci & Engn Ctr, Oak Ridge, TN 37831 USA.
RP Williams, AC (reprint author), Middle Tennessee State Univ, Dept Comp Sci, Murfreesboro, TN 37132 USA.
EM tourassig@ornl.gov
OI Voisin, Sophie/0000-0002-9726-4605; Tourassi,
Georgia/0000-0002-9418-9638
NR 23
TC 0
Z9 0
U1 0
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9444-3
J9 PROC SPIE
PY 2013
VL 8670
AR 86701A
DI 10.1117/12.2008019
PG 6
WC Engineering, Electrical & Electronic; Optics; Radiology, Nuclear
Medicine & Medical Imaging
SC Engineering; Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BGC32
UT WOS:000322261500044
ER
PT J
AU Jiang, DE
AF Jiang, De-en
TI The expanding universe of thiolated gold nanoclusters and beyond
SO NANOSCALE
LA English
DT Article
ID STRUCTURAL EVOLUTION; PROTECTED AU-38; ELECTRONIC-STRUCTURE; KDA GOLD;
OPTICAL-PROPERTIES; MASS-SPECTROMETRY; CRYSTAL-STRUCTURE; 1ST
PRINCIPLES; CLUSTERS; NANOPARTICLES
AB Thiolated gold nanoclusters form a universe of their own. Researchers in this field are constantly pushing the boundary of this universe by identifying new compositions and in a few "lucky" cases, solving their structures. Such solved structures, even if there are only few, provide important hints for predicting the many identified compositions that are yet to be crystallized or structure determined. Structure prediction is the most pressing issue for a computational chemist in this field. The success of the density functional theory method in gauging the energetic ordering of isomers for thiolated gold clusters has been truly remarkable, but to predict the most stable structure for a given composition remains a great challenge. In this feature article from a computational chemist's point of view, the author shows how one understands and predicts structures for thiolated gold nanoclusters based on his old and new results. To further entertain the reader, the author also offers several "imaginative" structures, claims, and challenges for this field.
C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
RP Jiang, DE (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM jiangd@ornl.gov
RI Jiang, De-en/D-9529-2011
OI Jiang, De-en/0000-0001-5167-0731
FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of
Basic Energy Sciences, U.S. Department of Energy; Office of Science of
the U.S. Department of Energy [DE-AC02-05CH11231]
FX This work was supported by the Division of Chemical Sciences,
Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S.
Department of Energy. This research used resources of the National
Energy Research Scientific Computing Center, which is supported by the
Office of Science of the U.S. Department of Energy under contract no.
DE-AC02-05CH11231. As usual in a scientific endeavor, the author
benefited greatly from collaborations, discussions, and suggestions from
many colleagues in the field of thiolated gold nanoclusters over the
years.
NR 101
TC 88
Z9 88
U1 6
U2 69
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
J9 NANOSCALE
JI Nanoscale
PY 2013
VL 5
IS 16
BP 7149
EP 7160
DI 10.1039/c3nr34192e
PG 12
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA 190CP
UT WOS:000322315600003
PM 23629814
ER
PT J
AU Kang, HC
Yan, HF
Chu, YS
Lee, SY
Kim, J
Nazaretski, E
Kim, C
Seo, O
Noh, DY
Macrander, AT
Stephenson, GB
Maser, J
AF Kang, Hyon Chol
Yan, Hanfei
Chu, Yong S.
Lee, Su Yong
Kim, Jungdae
Nazaretski, Evgeny
Kim, Chan
Seo, Okkyun
Noh, Do Young
Macrander, Albert T.
Stephenson, G. Brian
Maser, Joerg
TI Oxidation of PtNi nanoparticles studied by a scanning X-ray fluorescence
microscope with multi-layer Laue lenses
SO NANOSCALE
LA English
DT Article
ID COALESCENCE; NANOSCALE; NANOCRYSTALS; NANOPROBE; CATALYST; BEAMLINE;
SURFACES; DESIGN
AB We report a study of the oxidation process of individual PtNi nanoparticles (NPs) conducted with a novel scanningmulti-layer Laue lens X-ray microscope. The elemental maps reveal that alloyed PtNi NPs were transformed into Pt/NiO core-shell NPs by thermal oxidation. The observations furthermore indicate that a coalescence of Pt/NiO core-shell NPs occurred during oxidation.
C1 [Kang, Hyon Chol] Chosun Univ, Dept Adv Engn Mat, Kwangju 501759, South Korea.
[Yan, Hanfei; Chu, Yong S.; Kim, Jungdae; Nazaretski, Evgeny] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA.
[Lee, Su Yong; Kim, Chan; Seo, Okkyun; Noh, Do Young] Gwangju Inst Sci & Technol, Sch Mat Sci & Engn, Dept Photon & Appl Phys, Dept Nanobio Mat & Elect, Kwangju 500712, South Korea.
[Macrander, Albert T.; Stephenson, G. Brian; Maser, Joerg] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Macrander, Albert T.; Stephenson, G. Brian; Maser, Joerg] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
RP Kang, HC (reprint author), Chosun Univ, Dept Adv Engn Mat, Kwangju 501759, South Korea.
EM kanghc@chosun.ac.kr
RI Maser, Jorg/K-6817-2013; Yan, Hanfei/F-7993-2011
OI Yan, Hanfei/0000-0001-6824-0367
FU Korean National Research Foundation through the NCRC
[R15-2008-006-00000-0]; WCU [R31-2008-000-10026-0]; Department of
Energy, Office of Basic Energy Sciences [DE-AC-02-06CH11357,
DE-AC-02-98CH10886]; [2010-0023604]
FX The authors thank R. Conley, N. Bouet, and J. Zhou for producing MLL
optics. We wish to thank D. Shu, who developed the SMM. This work was
partially supported by the Korean National Research Foundation through
the NCRC (R15-2008-006-00000-0), WCU (R31-2008-000-10026-0), and basic
research program (2010-0023604). We also acknowledge the GIST Top Brand
grant. Work at Argonne, including the use of the Advanced Photon Source
and Center for Nanoscale Materials, was supported by the Department of
Energy, Office of Basic Energy Sciences under contract
DE-AC-02-06CH11357. Work at Brookhaven was supported by the Department
of Energy, Office of Basic Energy Sciences under contract
DE-AC-02-98CH10886.
NR 25
TC 10
Z9 10
U1 2
U2 25
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
J9 NANOSCALE
JI Nanoscale
PY 2013
VL 5
IS 16
BP 7184
EP 7187
DI 10.1039/c3nr00396e
PG 4
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA 190CP
UT WOS:000322315600006
PM 23674261
ER
PT J
AU Petkov, V
Shan, SY
Chupas, P
Yin, J
Yang, LF
Luo, J
Zhong, CJ
AF Petkov, Valeri
Shan, Shiyao
Chupas, Peter
Yin, Jun
Yang, Lefu
Luo, Jin
Zhong, Chuan-Jian
TI Noble-transition metal nanoparticle breathing in a reactive gas
atmosphere
SO NANOSCALE
LA English
DT Article
ID PAIR DISTRIBUTION FUNCTION; OXYGEN REDUCTION REACTION;
X-RAY-DIFFRACTION; LATTICE-PARAMETER; NANOCRYSTALS; SURFACES; ENERGY;
STRAIN; ALLOYS; ELECTROCATALYSTS
AB In situ high-energy X-ray diffraction coupled to atomic pair distribution function analysis is used to obtain fundamental insight into the effect of the reactive gas environment on the atomic-scale structure of metallic particles less than 10 nm in size. To substantiate our recent discovery we investigate a wide range of noble-transition metal nanoparticles and confirm that they expand and contract radially when treated in oxidizing (O-2) and reducing (H-2) atmospheres, respectively. The results are confirmed by supplementary XAFS experiments. Using computer simulations guided by the experimental diffraction data we quantify the effect in terms of both relative lattice strain and absolute atomic displacements. In particular, we show that the effect leads to a small percent of extra surface strain corresponding to several tenths of Angstrom displacements of the atoms at the outmost layer of the particles. The effect then gradually decays to zero within 4 atomic layers inside the particles. We also show that, reminiscent of a breathing type structural transformation, the effect is reproducible and reversible. We argue that because of its significance and widespread occurrence the effect should be taken into account in nanoparticle research.
C1 [Petkov, Valeri] Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48859 USA.
[Shan, Shiyao; Yin, Jun; Yang, Lefu; Luo, Jin; Zhong, Chuan-Jian] SUNY Binghamton, Dept Chem, Binghamton, NY 13902 USA.
[Chupas, Peter] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
RP Petkov, V (reprint author), Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48859 USA.
EM petko1vg@cmich.edu; chupas@aps.anl.gov; cjzhong@binghamton.edu
RI Zhong, Chuan-Jian/D-3394-2013
FU DOE [DESC0006877, DE-AC02-06CH11357]
FX This work was supported by DOE Grant No. DESC0006877. Work at APS is
supported by the DOE under Contract No. DE-AC02-06CH11357.
NR 52
TC 11
Z9 11
U1 3
U2 21
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
J9 NANOSCALE
JI Nanoscale
PY 2013
VL 5
IS 16
BP 7379
EP 7387
DI 10.1039/c3nr02582a
PG 9
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA 190CP
UT WOS:000322315600036
PM 23828235
ER
PT J
AU Li, Q
Xu, P
Zhang, B
Wu, G
Zhao, HT
Fu, EG
Wang, HL
AF Li, Qing
Xu, Ping
Zhang, Bin
Wu, Gang
Zhao, Hongtao
Fu, Engang
Wang, Hsing-Lin
TI Self-supported Pt nanoclusters via galvanic replacement from Cu2O
nanocubes as efficient electrocatalysts
SO NANOSCALE
LA English
DT Article
ID POROUS PLATINUM NANOPARTICLES; SHAPE-CONTROLLED SYNTHESIS;
OXYGEN-REDUCTION; ENHANCED PERFORMANCE; SINGLE-CRYSTALLINE; FUEL-CELLS;
NANOWIRES; NANOTUBES; NANOCRYSTALS; GROWTH
AB A novel synthesis method for self-supported Pt nanoclusters (Pt NCs) comprised of interconnected 2-3 nm Pt nanoparticles was developed by employing the galvanic replacement process between Cu2O nanocubes and PtCl42- ions. This discovered synthesis procedure eliminates the use of any polymer capping agents and enables a catalytically clean Pt surface. It is determined that the presence of H+ ions is crucial for initializing the galvanic replacement reaction. The electrocatalytic performances of the Pt NCs were tested for both oxygen reduction and methanol oxidation reactions, which showed higher electrochemical activity and greater long-term durability as compared with commercial Pt materials.
C1 [Li, Qing; Xu, Ping; Zhang, Bin; Zhao, Hongtao] Harbin Inst Technol, Dept Chem, Harbin 150001, Peoples R China.
[Xu, Ping; Wang, Hsing-Lin] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA.
[Li, Qing; Wu, Gang; Fu, Engang] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
RP Xu, P (reprint author), Harbin Inst Technol, Dept Chem, Harbin 150001, Peoples R China.
EM pxu@hit.edu.cn; hwang@lanl.gov
RI Wu, Gang/E-8536-2010; Li, Qing/G-4502-2011; Xu, Ping/I-1910-2013
OI Wu, Gang/0000-0003-4956-5208; Li, Qing/0000-0003-4807-030X; Xu,
Ping/0000-0002-1516-4986
FU China Postdoctor Fund; NSFC [21203045, 21101041, 21003029, 21071037,
91122002]; Fundamental Research Funds for the Central Universities
[HIT.NSRIF. 2010065, 2011017, HIT.BRETIII. 201223]; LANL; Laboratory
Directed Research and Development (LDRD) fund under the auspices of DOE;
Basic Energy Science (BES), Biomaterials program, Materials Sciences and
Engineering Division
FX PX thanks support from the China Postdoctor Fund, NSFC (no. 21203045,
21101041, 21003029, 21071037, 91122002), Fundamental Research Funds for
the Central Universities (no. HIT.NSRIF. 2010065 and 2011017, and
HIT.BRETIII. 201223), and Director's Postdoctoral Fellow from LANL. HLW
acknowledges the financial support from the Laboratory Directed Research
and Development (LDRD) fund under the auspices of DOE. This work is
partially supported by Basic Energy Science (BES), Biomaterials program,
Materials Sciences and Engineering Division.
NR 31
TC 26
Z9 26
U1 5
U2 112
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
J9 NANOSCALE
JI Nanoscale
PY 2013
VL 5
IS 16
BP 7397
EP 7402
DI 10.1039/c3nr02243a
PG 6
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA 190CP
UT WOS:000322315600038
PM 23828129
ER
PT J
AU Sharma, R
Xu, YW
Kim, SW
Schueller, MJ
Alexoff, D
Smith, SD
Wang, W
Schlyer, D
AF Sharma, Ramesh
Xu, Youwen
Kim, Sung Won
Schueller, Michael J.
Alexoff, David
Smith, S. David
Wang, Wei
Schlyer, David
TI Carbon-11 radiolabeling of iron-oxide nanoparticles for dual-modality
PET/MR imaging
SO NANOSCALE
LA English
DT Article
ID POSITRON-EMISSION-TOMOGRAPHY; CU-64-LABELED MAGNETIC NANOPARTICLES;
IN-VIVO; FUNCTIONALIZED SILICA; BIODISTRIBUTION; F-18; PARTICLES; CANCER
AB Dual-modality imaging, using Magnetic Resonance Imaging (MRI) and Positron Emission Tomography (PET) simultaneously, is a powerful tool to gain valuable information correlating structure with function in biomedicine. The advantage of this dual approach is that the strengths of one modality can balance the weaknesses of the other. However, success of this technique requires developing imaging probes suitable for both. Here, we report on the development of a nanoparticle labeling procedure via covalent bonding with carbon-11 PET isotope. Carbon-11 in the form of [C-11] methyl iodide was used as a methylation agent to react with carboxylic acid (-COOH) and amine (-NH2) functional groups of ligands bound to the nanoparticles (NPs). The surface coating ligands present on superparamagnetic iron-oxide nanoparticles (SPIO NPs) were radiolabeled to achieve dual-modality PET/MR imaging capabilities. The proof-of-concept dual-modality PET/MR imaging using the radiolabeled SPIO NPs was demonstrated in an in vivo experiment.
C1 [Sharma, Ramesh; Xu, Youwen; Kim, Sung Won; Schueller, Michael J.; Alexoff, David; Smith, S. David; Schlyer, David] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Sharma, Ramesh] Battelle Mem Inst, Columbus, OH 43201 USA.
[Wang, Wei] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Sharma, R (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM ramesharma26@gmail.com; schlyer@bnl.gov
RI Wang, Wei/B-5924-2012
FU U.S. Department of Energy Office of Biological and Environmental
Research [DE-AC02-98CH10886]; Battelle Memorial Institute
FX This work was carried out at Brookhaven National Laboratory supported by
the U.S. Department of Energy Office of Biological and Environmental
Research under contract DE-AC02-98CH10886. R.S. was supported by the
Battelle Memorial Institute. Lihua Zhang is acknowledged for assistance
with TEM data acquisition.
NR 50
TC 12
Z9 13
U1 5
U2 45
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
J9 NANOSCALE
JI Nanoscale
PY 2013
VL 5
IS 16
BP 7476
EP 7483
DI 10.1039/c3nr02519e
PG 8
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA 190CP
UT WOS:000322315600048
PM 23832243
ER
PT J
AU Kronawitter, CX
Zegkinoglou, I
Shen, SH
Guo, JH
Himpsel, FJ
Mao, SS
Vayssieres, L
AF Kronawitter, Coleman X.
Zegkinoglou, Ioannis
Shen, Shaohua
Guo, Jinghua
Himpsel, Franz J.
Mao, Samuel S.
Vayssieres, Lionel
TI On the orbital anisotropy in hematite nanorod-based photoanodes
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID X-RAY-ABSORPTION; ELECTRONIC-STRUCTURE; SOLAR-CELLS; ALPHA-FE2O3;
POLARIZATION; SCATTERING; ARRAYS; FILMS; PHOTOELECTRODES; DEPENDENCE
AB The orbital anisotropy of hematite (alpha-Fe2O3) nanorod arrays, an engineered structure commonly investigated for applications in solar water oxidation photoanodes, is probed using polarization-dependent soft X-ray absorption spectroscopy at the O K-edge and at the Fe L-2,L-3-edge. Thereby the unoccupied states of alpha-Fe2O3 are examined. In the lowest energy region these are found to be strongly-hybridized Fe 3d (a(1g)) orbitals and O2- ligand 2p orbitals, oriented along the c-axis. For [110]-oriented alpha-Fe2O3 nanocrystals the observed direction of strong hybridization is parallel to the substrate surface (perpendicular to the direction of electron conduction and light propagation in operating electrodes). The Fe L-3-edge line shape and aspects of polarization dependence can be reproduced by crystal field atomic multiplet calculations of 2p-to-3d transitions for Fe3+ in the D-3d point group symmetry of metal ions in the corundum structure. Both the O K-edge and Fe L-3-edge spectra possess features that may be related to the high density of surface atoms in this nanoscale system. They are associated with partial coordination and therefore reduced symmetry compared to that for Fe3+ in bulk crystals.
C1 [Kronawitter, Coleman X.; Mao, Samuel S.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA.
[Kronawitter, Coleman X.; Shen, Shaohua; Mao, Samuel S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Zegkinoglou, Ioannis; Himpsel, Franz J.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA.
[Zegkinoglou, Ioannis; Guo, Jinghua] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Shen, Shaohua; Vayssieres, Lionel] Xi An Jiao Tong Univ, Int Res Ctr Renewable Energy, State Key Lab Multiphase Flow Power Engn, Xian 710049, Peoples R China.
[Guo, Jinghua] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA.
RP Mao, SS (reprint author), Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA.
EM ssmao@lbl.gov; lionelv@xjtu.edu.cn
RI Shen, Shaohua/E-9507-2011; Zegkinoglou, Ioannis/H-2343-2013
FU NSF/CMMI [1036076]; U.S. Department of Energy, Office of Energy
Efficiency and Renewable Energy; Office of Basic Energy Sciences
[DE-SC0006931, DE-AC02-05CH11231, DE-FG02-01ER45917]; International
Research Center for Renewable Energy, State Key Laboratory of Multiphase
Flow in Power Engineering, Xian Jiaotong University; Thousand Talents
plan; National Natural Science Foundation of China [51121092]
FX This research has been supported by NSF/CMMI under grant #1036076, by
the U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy; and by the Office of Basic Energy Sciences under the Contracts
DE-SC0006931, DE-AC02-05CH11231 (ALS), DE-FG02-01ER45917 (end station)
and by the International Research Center for Renewable Energy, State Key
Laboratory of Multiphase Flow in Power Engineering, Xian Jiaotong
University, the Thousand Talents plan and the National Natural Science
Foundation of China (no. 51121092).
NR 44
TC 11
Z9 11
U1 4
U2 62
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 32
BP 13483
EP 13488
DI 10.1039/c3cp52527a
PG 6
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 191GQ
UT WOS:000322401600025
PM 23839223
ER
PT J
AU Duan, YH
Pfeiffer, H
Li, BY
Romero-Ibarra, IC
Sorescu, DC
Luebke, DR
Halley, JW
AF Duan, Yuhua
Pfeiffer, Heriberto
Li, Bingyun
Romero-Ibarra, Issis C.
Sorescu, Dan C.
Luebke, David R.
Halley, J. Woods
TI CO2 capture properties of lithium silicates with different ratios of
Li2O/SiO2: an ab initio thermodynamic and experimental approach
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID HIGH-TEMPERATURE; CARBON-DIOXIDE; CRYSTAL-STRUCTURE; ALPHA-QUARTZ;
STRUCTURAL-PROPERTIES; ELECTRONIC-PROPERTIES; MOLECULAR-DYNAMICS;
REACTION-MECHANISM; KINETIC-ANALYSIS; PARTICLE-SIZE
AB The lithium silicates have attracted scientific interest due to their potential use as high-temperature sorbents for CO2 capture. The electronic properties and thermodynamic stabilities of lithium silicates with different Li2O/SiO2 ratios (Li2O, Li8SiO6, Li4SiO4, Li6Si2O7, Li2SiO3, Li2Si2O5, Li2Si3O7, and alpha-SiO2) have been investigated by combining first-principles density functional theory with lattice phonon dynamics. All these lithium silicates examined are insulators with band-gaps larger than 4.5 eV. By decreasing the Li2O/SiO2 ratio, the first valence bandwidth of the corresponding lithium silicate increases. Additionally, by decreasing the Li2O/SiO2 ratio, the vibrational frequencies of the corresponding lithium silicates shift to higher frequencies. Based on the calculated energetic information, their CO2 absorption capabilities were extensively analyzed through thermodynamic investigations on these absorption reactions. We found that by increasing the Li2O/SiO2 ratio when going from Li2Si3O7 to Li8SiO6, the corresponding lithium silicates have higher CO2 capture capacity, higher turnover temperatures and heats of reaction, and require higher energy inputs for regeneration. Based on our experimentally measured isotherms of the CO2 chemisorption by lithium silicates, we found that the CO2 capture reactions are two-stage processes: (1) a superficial reaction to form the external shell composed of Li2CO3 and a metal oxide or lithium silicate secondary phase and (2) lithium diffusion from bulk to the surface with a simultaneous diffusion of CO2 into the shell to continue the CO2 chemisorption process. The second stage is the rate determining step for the capture process. By changing the mixing ratio of Li2O and SiO2, we can obtain different lithium silicate solids which exhibit different thermodynamic behaviors. Based on our results, three mixing scenarios are discussed to provide general guidelines for designing new CO2 sorbents to fit practical needs.
C1 [Duan, Yuhua; Li, Bingyun; Sorescu, Dan C.; Luebke, David R.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[Pfeiffer, Heriberto; Romero-Ibarra, Issis C.] Univ Nacl Autonoma Mexico, Inst Invest Mat, Mexico City 04510, DF, Mexico.
[Li, Bingyun] W Virginia Univ, Sch Med, Morgantown, WV 26506 USA.
[Halley, J. Woods] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA.
RP Duan, YH (reprint author), US DOE, Natl Energy Technol Lab, 236 Cochrans Mill Rd, Pittsburgh, PA 15236 USA.
EM yuhua.duan@netl.doe.gov
RI Duan, Yuhua/D-6072-2011;
OI Duan, Yuhua/0000-0001-7447-0142; Pfeiffer, Heriberto/0000-0002-6217-3420
NR 96
TC 28
Z9 28
U1 8
U2 63
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 32
BP 13538
EP 13558
DI 10.1039/c3cp51659h
PG 21
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 191GQ
UT WOS:000322401600032
PM 23824271
ER
PT J
AU McGrath, MJ
Kuo, IFW
Ngouana, WBF
Ghogomu, JN
Mundy, CJ
Marenich, AV
Cramer, CJ
Truhlar, DG
Siepmann, JI
AF McGrath, Matthew J.
Kuo, I-F. Will
Ngouana, Brice F. W.
Ghogomu, Julius N.
Mundy, Christopher J.
Marenich, Aleksandr V.
Cramer, Christopher J.
Truhlar, Donald G.
Siepmann, J. Ilja
TI Calculation of the Gibbs free energy of solvation and dissociation of
HCl in water via Monte Carlo simulations and continuum solvation models
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID HYDROCHLORIC-ACID SOLUTIONS; VAPOR-LIQUID-EQUILIBRIA; MOLECULAR-DYNAMICS
SIMULATION; DENSITY-FUNCTIONAL THEORY; HENRY LAW CONSTANT;
AQUEOUS-SOLUTION; AB-INITIO; HYDROGEN-CHLORIDE; 1ST PRINCIPLES;
PHASE-EQUILIBRIA
AB The Gibbs free energy of solvation and dissociation of hydrogen chloride in water is calculated through a combined molecular simulation/quantum chemical approach at four temperatures between T = 300 and 450 K. The Gibbs free energy is first decomposed into the sum of two components: the Gibbs free energy of transfer of molecular HCl from the vapor to the aqueous liquid phase and the standard-state Gibbs free energy of acid dissociation of HCl in aqueous solution. The former quantity is calculated using Gibbs ensemble Monte Carlo simulations using either Kohn-Sham density functional theory or a molecular mechanics force field to determine the system's potential energy. The latter Gibbs free energy contribution is computed using a continuum solvation model utilizing either experimental reference data or micro-solvated clusters. The predicted combined solvation and dissociation Gibbs free energies agree very well with available experimental data.
C1 [McGrath, Matthew J.] CEA Orme Merisiers, Lab Sci Climat & Environm, F-91191 Gif Sur Yvette, France.
[McGrath, Matthew J.; Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G.; Siepmann, J. Ilja] Univ Minnesota, Chem Theory Ctr, Dept Chem, Minneapolis, MN 55455 USA.
[McGrath, Matthew J.; Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G.; Siepmann, J. Ilja] Univ Minnesota, Supercomp Inst, Minneapolis, MN 55455 USA.
[Kuo, I-F. Will] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA.
[Ngouana, Brice F. W.; Ghogomu, Julius N.] Univ Dschang, Dept Chem, Dschang, Cameroon.
[Ngouana, Brice F. W.] Lab Subatech, F-44307 Nantes 3, France.
[Cramer, Christopher J.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
[Siepmann, J. Ilja] Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA.
RP McGrath, MJ (reprint author), CEA Orme Merisiers, Lab Sci Climat & Environm, F-91191 Gif Sur Yvette, France.
EM matthew.mcgrath@lsce.ipsl.fr
RI Truhlar, Donald/G-7076-2015; Cramer, Christopher/B-6179-2011
OI Truhlar, Donald/0000-0002-7742-7294; Cramer,
Christopher/0000-0001-5048-1859
FU National Science Foundation [OISE-0853294, CBET-0756641, CBET-1159837];
U.S. Army Research Laboratory [W911NF09-100377]; U.S. Department of
Energy by the University of California Lawrence Livermore National
Laboratory (LLNL) [W-7405-Eng-48]; US Department of Energy, Office of
Basic Energy Sciences, Division of Chemical Sciences, Geosciences
Biosciences; NSF under CDI [CHE-1051396]
FX MJM gratefully acknowledges support from a National Science Foundation
International Research grant (OISE-0853294). Part of this work was
performed during a Peace Corps assignment of MJM at the University of
Dschang. Additional financial support from the National Science
Foundation (CBET-0756641 and CBET-1159837) and the U.S. Army Research
Laboratory under Grant No. W911NF09-100377. Part of this work was
performed under the auspices of the U.S. Department of Energy by the
University of California Lawrence Livermore National Laboratory (LLNL)
under contract No. W-7405-Eng-48. CJM was supported by the US Department
of Energy, Office of Basic Energy Sciences, Division of Chemical
Sciences, Geosciences & Biosciences. Pacific Northwest National
Laboratory is operated by Battelle for the U.S. Department of Energy.
This work was also supported in part by the NSF under CDI Grant No.
CHE-1051396. Computer resources were provided by Livermore Computing and
the Minnesota Supercomputing Institute.
NR 89
TC 10
Z9 10
U1 1
U2 47
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 32
BP 13578
EP 13585
DI 10.1039/c3cp51762d
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 191GQ
UT WOS:000322401600035
PM 23831584
ER
PT J
AU Langan, P
Chen, JCH
AF Langan, Paul
Chen, Julian C. -H.
TI Seeing the chemistry in biology with neutron crystallography
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID BARRIER HYDROGEN-BOND; PHOTOACTIVE YELLOW PROTEIN; JOINT X-RAY;
HIGH-RESOLUTION NEUTRON; PURE-SPERMINE FORM; Z-DNA; CRYSTAL-STRUCTURE;
DIISOPROPYL FLUOROPHOSPHATASE; FIBER DIFFRACTION; MACROMOLECULAR
CRYSTALLOGRAPHY
AB New developments in macromolecular neutron crystallography have led to an increasing number of structures published over the last decade. Hydrogen atoms, normally invisible in most X-ray crystal structures, become visible with neutrons. Using X-rays allows one to see structure, while neutrons allow one to reveal the chemistry inherent in these macromolecular structures. A number of surprising and sometimes controversial results have emerged; because it is difficult to see or predict hydrogen atoms in X-ray structures, when they are seen by neutrons they can be in unexpected locations with important chemical and biological consequences. Here we describe examples of chemistry seen with neutrons for the first time in biological macromolecules over the past few years.
C1 [Langan, Paul] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA.
[Langan, Paul; Chen, Julian C. -H.] Univ Toledo, Dept Chem, Toledo, OH 43606 USA.
RP Langan, P (reprint author), Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA.
EM langanpa@ornl.gov
RI Langan, Paul/N-5237-2015
OI Langan, Paul/0000-0002-0247-3122
FU Center for Structural Molecular Biology; US Office of Biological and
Environmental Research, US Department of Energy [FWP ERKP752]; NIH-NIGMS
[R01GM071939]; Scientific User Facilities Division, Office of Basic
Energy Sciences, US Department of Energy
FX This work was partly supported by the Center for Structural Molecular
Biology supported by the US Office of Biological and Environmental
Research, US Department of Energy, under FWP ERKP752. PL was partly
supported by an NIH-NIGMS funded consortium (R01GM071939) between ORNL
and LBNL to develop computational tools for neutron protein
crystallography. This research used facilities sponsored by the
Scientific User Facilities Division, Office of Basic Energy Sciences, US
Department of Energy.
NR 59
TC 4
Z9 4
U1 0
U2 19
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 33
BP 13705
EP 13712
DI 10.1039/c3cp51760h
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 192WH
UT WOS:000322517800002
PM 23852376
ER
PT J
AU Chatman, S
Zarzycki, P
Rosso, KM
AF Chatman, Shawn
Zarzycki, Piotr
Rosso, Kevin M.
TI Surface potentials of (001), (012), (113) hematite (alpha-Fe2O3) crystal
faces in aqueous solution
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID PHOTOELECTROCHEMICAL WATER OXIDATION; ZERO CHARGE; SOLUTION INTERFACE;
ELECTRON-AFFINITY; PROTON ADSORPTION; PH; POINTS; OXIDE; UPDATE; MODEL
AB Hematite (alpha-Fe2O3) is an important candidate electrode for energy system technologies such as photoelectrochemical water splitting. Conversion efficiency issues with this material are presently being addressed through nanostructuring, doping, and surface modification. However, key electrochemical properties of hematite/electrolyte interfaces remain poorly understood at a fundamental level, in particular those of crystallographically well-defined hematite faces likely present as interfacial components at the grain scale. We report a combined measurement and theory study that isolates and evaluates the equilibrium surface potentials of three nearly defect-free single crystal faces of hematite, titrated from pH 3 to 11.25. We link measured surface potentials with atomic-scale surface topology, namely the ratio and distributions of surface protonation-deprotonation site types expected from the bulk structure. The data reveal face-specific points of zero potential (PZP) relatable to points of zero net charge (PZC) that lie within a small pH window (8.35-8.85). Over the entire pH range the surface potentials show strong non-Nernstian charging at pH extremes separated by a wide central plateau in agreement with surface complexation modeling predictions, but with important face-specific distinctions. We introduce a new surface complexation model based on fitting the entire data set that depends primarily only on the proton affinities of two site types and the two associated electrical double layer capacitances. The data and model show that magnitudes of surface potential biases at the pH extremes are on the order of 100 mV, similar to the activation energy for electron hopping mobility. An energy band diagram for hematite crystallites with specific face expression and pH effects is proposed that could provide a baseline for understanding water splitting performance enhancement effects from nanostructuring, and guide morphology targets and pH for systematic improvements in efficiency.
C1 [Chatman, Shawn; Rosso, Kevin M.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
[Zarzycki, Piotr] Polish Acad Sci, Inst Phys Chem, Warsaw, Poland.
RP Chatman, S (reprint author), Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
EM shawnm.chatman@pnnl.gov; Kevin.Rosso@pnnl.gov
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences Biosciences; U.S. Department of Energy's
Office of Biological and Environmental Research; MNiSW [IP2012 059872]
FX This work was supported by the Geosciences Research Program in the U.S.
Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences & Biosciences. A portion of this research
was performed using EMSL, a national scientific user facility sponsored
by the U.S. Department of Energy's Office of Biological and
Environmental Research and located at Pacific Northwest National
Laboratory. Pacific Northwest National Laboratory (PNNL) is a
multi-program national laboratory operated for DOE by Battelle. P.Z.
also thanks MNiSW (IP2012 059872) for support.
NR 72
TC 25
Z9 25
U1 13
U2 120
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 33
BP 13911
EP 13921
DI 10.1039/c3cp52592a
PG 11
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 192WH
UT WOS:000322517800024
PM 23846741
ER
PT J
AU Lewandowska-Andralojc, A
Polyansky, DE
Zong, RF
Thummel, RP
Fujita, E
AF Lewandowska-Andralojc, Anna
Polyansky, Dmitry E.
Zong, Ruifa
Thummel, Randolph P.
Fujita, Etsuko
TI Enabling light-driven water oxidation via a low-energy Ru-IV=O
intermediate
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID MONONUCLEAR RUTHENIUM COMPLEXES; INDUCED ELECTRON-TRANSFER; CATALYST;
LIGANDS; REDOX; SITE; MECHANISM; RADICALS; KINETICS; ANALOGS
AB The discovery of catalysts capable of driving water oxidation at relatively low overpotential is a key challenge for efficient photoinduced water oxidation. The mononuclear Ru(II) polypyridyl complex (1) [Ru(NPM)(H2O)(pic)(2)](2+) (NPM = 4-tert-butyl-2,6-di-(1',8'-naphthyrid-2'-yl)-pyridine, pic = 4-picoline) has been examined as a catalyst for visible-light-driven water oxidation in a three-component homogeneous system containing [Ru(bpy)(3)](2+) as a photosensitizer, persulfate as a sacrificial electron acceptor and catalyst 1. In contrast to the well-established water oxidation mechanism via the nucleophilic attack of a water molecule on the high-energy [Ru-V=O](3+) species, a lower-energy "direct pathway" for O-O bond formation via a [Ru-V=O](2+) intermediate was proposed for the first time for the catalyst 1 (Polyansky et al., J. Am. Chem. Soc., 2011, 133, 14649). In this report we successfully demonstrate that this unique proton-coupled low-energy pathway actually takes place with the use of a mild oxidant such as the photogenerated [Ru(bpy)(3)](3+) (1.26 V vs. NHE) to drive water oxidation. The overall quantum yield of 9%, TOF of 0.12 s(-1) and TON of 103 (limited solely by a drop in pH) were found for photochemical water oxidation with 1 using [Ru(bpy)(3)](2+) as a photosensitizer and [S2O8](2-) as a sacrificial electron acceptor. These values render catalyst 1 as one of the most active mononuclear ruthenium-based catalysts for light-driven water oxidation in a homogeneous system. The utilization of a pH-dependent pathway for water oxidation is a new and promising direction as a low-energy pathway. Furthermore, the detailed analysis of individual photochemical steps leading to O-2 evolution provides benchmarks for future mechanistic studies of photo-induced water oxidation catalysis.
C1 [Lewandowska-Andralojc, Anna; Polyansky, Dmitry E.; Fujita, Etsuko] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
[Zong, Ruifa; Thummel, Randolph P.] Univ Houston, Dept Chem, Houston, TX 77204 USA.
RP Polyansky, DE (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM dmitriyp@bnl.gov; fujita@bnl.gov
RI Polyansky, Dmitry/C-1993-2009; Lewandowska-Andralojc, Anna/A-8149-2012
OI Polyansky, Dmitry/0000-0002-0824-2296;
FU Brookhaven National Laboratory (BNL) [DE-AC02-98CH10886]; U.S.
Department of Energy [DE-FG02-07ER15888]; Division of Chemical Sciences,
Geosciences, and Biosciences, Office of Basic Energy Sciences; U.S.
Department of Energy under BES Hydrogen Fuel Initiative; Robert A. Welch
Foundation [E-621]
FX We thank Dr Norman Sutin and Dr Carol Creutz for fruitful discussions,
and Dr James T. Muckerman for careful reading of this manuscript. The
work at Brookhaven National Laboratory (BNL) was carried out under
contract DE-AC02-98CH10886 and the work at Houston was carried out under
contract DE-FG02-07ER15888 with the U.S. Department of Energy and
supported by its Division of Chemical Sciences, Geosciences, and
Biosciences, Office of Basic Energy Sciences. The BNL authors also thank
the U.S. Department of Energy for funding under the BES Hydrogen Fuel
Initiative. RZ and RPT also thank the Robert A. Welch Foundation
(E-621).
NR 51
TC 17
Z9 17
U1 2
U2 38
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 33
BP 14058
EP 14068
DI 10.1039/c3cp52038b
PG 11
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 192WH
UT WOS:000322517800038
PM 23860663
ER
PT J
AU Hearon, K
Singhal, P
Horn, J
Small, W
Olsovsky, C
Maitland, KC
Wilson, TS
Maitland, DJ
AF Hearon, Keith
Singhal, Pooja
Horn, John
Small, Ward
Olsovsky, Cory
Maitland, Kristen C.
Wilson, Thomas S.
Maitland, Duncan J.
TI Porous Shape-Memory Polymers
SO POLYMER REVIEWS
LA English
DT Review
DE shape memory polymer foam; porous active material; stimuli-responsive
polymers
ID SELF-DEPLOYABLE STRUCTURES; SYNTACTIC FOAM; THERMOMECHANICAL
CHARACTERIZATION; BIOMEDICAL APPLICATIONS; POLYURETHANE FOAMS; SPACE
APPLICATIONS; CROSS-LINKING; BEHAVIOR; FABRICATION; NANOCOMPOSITES
AB Porous shape memory polymers (SMPs) include foams, scaffolds, meshes, and other polymeric substrates that possess porous three-dimensional macrostructures. Porous SMPs exhibit active structural and volumetric transformations and have driven investigations in fields ranging from biomedical engineering to aerospace engineering to the clothing industry. The present review article examines recent developments in porous SMPs, with focus given to structural and chemical classification, methods of characterization, and applications. We conclude that the current body of literature presents porous SMPs as highly interesting smart materials with potential for industrial use.
C1 [Hearon, Keith; Singhal, Pooja; Horn, John; Olsovsky, Cory; Maitland, Kristen C.; Maitland, Duncan J.] Texas A&M Univ, Dept Biomed Engn, College Stn, TX 77843 USA.
[Singhal, Pooja; Small, Ward; Wilson, Thomas S.] Lawrence Livermore Natl Lab, Livermore, CA USA.
RP Maitland, DJ (reprint author), Texas A&M Univ, Mailstop 3120,5045 Emerging Technol Bldg, College Stn, TX 77843 USA.
EM djmaitland@tamu.edu
RI Maitland, Kristen/D-6961-2011
OI Maitland, Kristen/0000-0003-0931-0622
FU NIBIB NIH HHS [R01 EB000462]
NR 98
TC 27
Z9 27
U1 14
U2 145
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA
SN 1558-3724
J9 POLYM REV
JI Polym. Rev.
PD JAN 1
PY 2013
VL 53
IS 1
BP 41
EP 75
DI 10.1080/15583724.2012.751399
PG 35
WC Polymer Science
SC Polymer Science
GA 189ZF
UT WOS:000322306100003
PM 23646038
ER
PT J
AU Kang, SH
Neale, NR
Zhu, K
Halverson, AF
Yan, YF
Frank, AJ
AF Kang, Soon Hyung
Neale, Nathan R.
Zhu, Kai
Halverson, Adam F.
Yan, Yanfa
Frank, Arthur J.
TI The effect of a metallic Ni core on charge dynamics in CdS-sensitized
p-type NiO nanowire mesh photocathodes
SO RSC ADVANCES
LA English
DT Article
ID SOLAR-CELLS; COLLECTION EFFICIENCIES; REDOX COUPLE; FILMS; ELECTROLYTES;
TRANSPORT; MECHANISM; SULFIDE; ARRAYS
AB We report on the synthesis and photoelectrochemical characterization of photocathodes based on CdS-sensitized Ni-NiO core-shell nanowire mesh inverse opals (IOs). Compared to the NiO-CdS nanowire mesh IO electrode, the hole diffusion coefficient of the CdS-sensitized Ni-NiO core-shell nanowire mesh IO photocathode was one order of magnitude larger, indicating that the Ni core facilitated hole transfer in nanostructured p-type electrodes. As a result, the charge-collection efficiency of the Ni-NiO core-shell nanowire mesh IO electrode was shown to be essentially 100%.
C1 [Kang, Soon Hyung; Neale, Nathan R.; Zhu, Kai; Halverson, Adam F.; Yan, Yanfa; Frank, Arthur J.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Kang, Soon Hyung] Chonnam Natl Univ, Dept Chem Educ, Kwangju 500757, South Korea.
[Halverson, Adam F.] GE Global Res, New York, NY 12309 USA.
[Yan, Yanfa] Univ Toledo, Dept Phys & Astron, Toledo, OH 43606 USA.
RP Kang, SH (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA.
EM Kai.Zhu@nrel.gov; Arthur.Frank@nrel.gov
FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of
Basic Energy Sciences, U.S. Department of Energy [DE-AC36-08GO28308]
FX This work was supported by the Division of Chemical Sciences,
Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S.
Department of Energy, under contract No. DE-AC36-08GO28308.
NR 37
TC 0
Z9 0
U1 3
U2 45
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2013
VL 3
IS 32
BP 13342
EP 13347
DI 10.1039/c3ra41216d
PG 6
WC Chemistry, Multidisciplinary
SC Chemistry
GA 186TN
UT WOS:000322068400041
ER
PT J
AU Peng, Q
Wen, XD
De, S
AF Peng, Qing
Wen, Xiaodong
De, Suvranu
TI Mechanical stabilities of silicene
SO RSC ADVANCES
LA English
DT Article
ID HEXAGONAL BORON-NITRIDE; ELASTIC PROPERTIES; AB-INITIO; GRAPHENE;
MONOLAYER; 1ST-PRINCIPLES; CHEMISTRY; GRAPHITE; CRYSTALS
AB The mechanical stabilities of planar (g) and low-buckled (b) honeycomb monolayer structures of silicon under various large strains are investigated using density functional theory (DFT). The mechanical properties, including the ultimate stresses, ultimate strains, and high order elastic constants of silicene are predicted, as well as the structure evolutions. Both g-Si and b-Si can sustain large strains (eta >= 0.15) for armchair, zigzag, and biaxial deformation. The third, fourth, and fifth order elastic constants are indispensable for accurate modeling of the mechanical properties under strains larger than 0.03, 0.06, and 0.08 respectively. The second order elastic constants, including in-plane stiffness, are predicted to monotonically increase with pressure while the Poisson ratio monotonically decreases with increasing pressure. Our results on the positive ultimate strengths and strains, second order elastic constants, and the in-plane Young's modulus indicate that both g-Si and b-Si are mechanically stable.
C1 [Peng, Qing; De, Suvranu] Rensselaer Polytech Inst, Dept Mech Aerosp & Nucl Engn, Troy, NY 12180 USA.
[Wen, Xiaodong] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Peng, Q (reprint author), Rensselaer Polytech Inst, Dept Mech Aerosp & Nucl Engn, Troy, NY 12180 USA.
EM qpeng.org@gmail.com
RI Wen, Xiaodong/G-5227-2011; Peng, Qing/F-4246-2010
OI Wen, Xiaodong/0000-0001-8161-9742; Peng, Qing/0000-0002-8281-8636
FU Defense Threat Reduction Agency (DTRA) [BRBAA08-C-2-0130,
HDTRA1-13-1-0025]
FX The authors would like to acknowledge the generous financial support
from the Defense Threat Reduction Agency (DTRA) Grant # BRBAA08-C-2-0130
and # HDTRA1-13-1-0025.
NR 56
TC 43
Z9 43
U1 7
U2 51
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2013
VL 3
IS 33
BP 13772
EP 13781
DI 10.1039/c3ra41347k
PG 10
WC Chemistry, Multidisciplinary
SC Chemistry
GA 192DO
UT WOS:000322464500033
ER
PT J
AU Rong, G
Liu, G
Hou, D
Zhou, CB
AF Rong, Guan
Liu, Guang
Hou, Di
Zhou, Chuang-bing
TI Effect of Particle Shape on Mechanical Behaviors of Rocks: A Numerical
Study Using Clumped Particle Model
SO SCIENTIFIC WORLD JOURNAL
LA English
DT Article
ID STRENGTH; ANGLE; COMPRESSION; DILATANCY; FRICTION; MASSES; DAMAGE
AB Since rocks are aggregates of mineral particles, the effect of mineral microstructure on macroscopic mechanical behaviors of rocks is inneglectable. Rock samples of four different particle shapes are established in this study based on clumped particle model, and a sphericity index is used to quantify particle shape. Model parameters for simulation in PFC are obtained by triaxial compression test of quartz sandstone, and simulation of triaxial compression test is then conducted on four rock samples with different particle shapes. It is seen from the results that stress thresholds of rock samples such as crack initiation stress, crack damage stress, and peak stress decrease with the increasing of the sphericity index. The increase of sphericity leads to a drop of elastic modulus and a rise in Poisson ratio, while the decreasing sphericity usually results in the increase of cohesion and internal friction angle. Based on volume change of rock samples during simulation of triaxial compression test, variation of dilation angle with plastic strain is also studied.
C1 [Rong, Guan; Liu, Guang; Hou, Di; Zhou, Chuang-bing] Wuhan Univ, State Key Lab Water Resources & Hydropower Engn, Wuhan 430072, Hubei, Peoples R China.
[Rong, Guan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Liu, Guang] Wuhan Univ, Minist Educ, Key Lab Rock Mech Hydraul Struct Engn, Wuhan 430072, Peoples R China.
RP Rong, G (reprint author), Wuhan Univ, State Key Lab Water Resources & Hydropower Engn, Wuhan 430072, Hubei, Peoples R China.
EM rg_mail@163.com
RI Zhou, Chuangbing/A-6964-2015; Zhou, Chuang-Bing/B-4254-2017
OI Zhou, Chuangbing/0000-0002-0114-735X;
FU National Basic Research Program of China ("973" Program) [2011CB013501,
2010CB732005]; National Natural Science Foundation of China [50979081];
Program for New Century Excellent Talents in University [NCET-11-0406]
FX The research work presented in this paper is sponsored by the National
Basic Research Program of China ("973" Program) (Grant nos. 2011CB013501
and 2010CB732005), the National Natural Science Foundation of China
(Grant no. 50979081) and Program for New Century Excellent Talents in
University (Grant no. NCET-11-0406). The authors would like to thank
their support.
NR 34
TC 5
Z9 5
U1 5
U2 33
PU HINDAWI PUBLISHING CORPORATION
PI NEW YORK
PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA
SN 1537-744X
J9 SCI WORLD J
JI Sci. World J.
PY 2013
AR 589215
DI 10.1155/2013/589215
PG 12
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA 195KQ
UT WOS:000322701500001
ER
PT S
AU Kelly, JH
Shvydky, A
Marozas, JA
Guardalben, MJ
Kruschwitz, BE
Waxer, LJ
Dorrer, C
Hill, E
Okishev, AV
Di Nicola, JM
AF Kelly, J. H.
Shvydky, A.
Marozas, J. A.
Guardalben, M. J.
Kruschwitz, B. E.
Waxer, L. J.
Dorrer, C.
Hill, E.
Okishev, A. V.
Di Nicola, J. -M.
BE Awwal, AAS
TI Simulations of the propagation of multiple-FM smoothing by spectral
dispersion on OMEGA EP
SO HIGH POWER LASERS FOR FUSION RESEARCH II
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on High Power Lasers for Fusion Research II
CY FEB 07, 2013
CL San Francisco, CA
SP SPIE, NIF
DE Fusion lasers; beam smoothing; SSD; polar-drive; dispersion; Miro;
simulations; B-integral; beam conditioning
ID NATIONAL IGNITION FACILITY; AM CONVERSION; LASER; LIGHT
AB A one-dimensional (1-D) smoothing by spectral dispersion (SSD) system for smoothing focal-spot nonuniformities using multiple modulation frequencies has been commissioned on one long-pulse beamline of OMEGA EP, the first use of such a system in a high-energy laser. Frequency modulation (FM) to amplitude modulation (AM) conversion in the infrared (IR) output, frequency conversion, and final optics affected the accumulation of B-integral in that beamline. Modeling of this FM-to-AM conversion using the code Miro [Morice, O., "Miro: Complete modeling and software for pulse amplification and propagation in high-power laser systems," Opt. Eng. 42(6), 1530-1541 (2003).] was used as input to set the beamline performance limits for picket (short) pulses with multi-FM SSD applied. This article first describes that modeling. The 1-D SSD analytical model of Chuang [Chuang, Y.-H., "Amplification of broad-bandwidth phase-modulated laser counterpropagating light waves in homogeneous plasma," Ph.D. thesis, University of Rochester (September 1991).] is first extended to the case of multiple modulators and then used to benchmark Miro simulations. Comparison is also made to an alternative analytic model developed by Hocquet et al. [Hocquet, S., Penninckx, D., Bordenave, E., Gouedard, C. and Jaouen, Y., "FM-to-AM conversion in high-power lasers," Appl. Opt. 47(18), 3338-3349 (2008).] With the confidence engendered by this benchmarking, Miro results for multi-FM SSD applied on OMEGA EP are then presented. The relevant output section(s) of the OMEGA EP Laser System are described. The additional B-integral in OMEGA EP IR components upstream of the frequency converters due to AM is modeled. The importance of locating the image of the SSD dispersion grating at the frequency converters is demonstrated. Finally, since frequency conversion is not performed in OMEGA EP's target chamber, the additional AM due to propagation to the target chamber's vacuum window is modeled.
C1 [Kelly, J. H.; Shvydky, A.; Marozas, J. A.; Guardalben, M. J.; Kruschwitz, B. E.; Waxer, L. J.; Dorrer, C.; Hill, E.; Okishev, A. V.] Univ Rochester, Laser Energet Lab, 250 E River Rd, Rochester, NY 14623 USA.
[Di Nicola, J. -M.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
RP Kelly, JH (reprint author), Univ Rochester, Laser Energet Lab, 250 E River Rd, Rochester, NY 14623 USA.
FU U.S. Department of Energy Office of Inertial Confinement Fusion
[DE-FC52-08NA28302]; University of Rochester; New York State Energy
Research and Development Authority; DOE
FX This work was supported by the U.S. Department of Energy Office of
Inertial Confinement Fusion under Cooperative Agreement No.
DE-FC52-08NA28302, the University of Rochester, and the New York State
Energy Research and Development Authority. The support of DOE does not
constitute an endorsement by DOE of the views expressed in this article.
NR 29
TC 0
Z9 0
U1 0
U2 7
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9371-2
J9 PROC SPIE
PY 2013
VL 8602
AR UNSP 86020D
DI 10.1117/12.2003209
PG 17
WC Optics; Physics, Fluids & Plasmas
SC Optics; Physics
GA BEX24
UT WOS:000318517700008
ER
PT S
AU Chen, CH
AF Chen, Chin-Hao
BE Li, BA
Natowitz, JB
TI Measurement of the Higher Order Azimuthal Anisotropy for Charged Hadrons
at RHIC-PHENIX
SO 11TH INTERNATIONAL CONFERENCE ON NUCLEUS-NUCLEUS COLLISIONS (NN2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Nucleus-Nucleus Collisions (NN)
CY MAY 27-JUN 01, 2012
CL Texas A&M Univ, Cyclotron Inst, San Antonio, TX
SP Texas A&M Univ-Commerce, Dept Phys and Astron
HO Texas A&M Univ, Cyclotron Inst
AB Measuring the azimuthal anisotropy of particles produced in relativistic heavy ion collisions has been considered as a powerful probe for investigating the characteristics of the quark-gluon plasma (QGP), which is the phase in QCD matter of de-confined quarks and gluons. The event anisotropy (v(2), v(3), v(4)) are measured in Au+Au collisions in various energies in PHENIX. The results of these higher-order event anisotropy constrain the initial geometrical eccentricity and viscosity that are used in hydrodynamical models. We present the latest results of v(2), v(3), v(4) measurement and discuss the simultaneous description with the hydrodynamical calculations
C1 Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA.
RP Chen, CH (reprint author), Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA.
EM chchen@bnl.gov
RI Natowitz, Joseph/D-4160-2015
NR 12
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 420
AR 012037
DI 10.1088/1742-6596/420/1/012037
PG 6
WC Physics, Nuclear
SC Physics
GA BEW69
UT WOS:000318430800037
ER
PT S
AU Das, JJ
Carter, HK
Beene, JR
Sherrill, BM
AF Das, J. J.
Carter, H. K.
Beene, J. R.
Sherrill, B. M.
BE Li, BA
Natowitz, JB
TI Helium jet ion source in FRIB era
SO 11TH INTERNATIONAL CONFERENCE ON NUCLEUS-NUCLEUS COLLISIONS (NN2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Nucleus-Nucleus Collisions (NN)
CY MAY 27-JUN 01, 2012
CL Texas A&M Univ, Cyclotron Inst, San Antonio, TX
SP Texas A&M Univ-Commerce, Dept Phys and Astron
HO Texas A&M Univ, Cyclotron Inst
ID ONLINE ISOTOPE-SEPARATION; FACILITY
AB Gas stopping of reaction products has a key feature, fixed holdup time independent of element, making it possible to provide ion beams of essentially all element. Two classes of gas stopping have been developed over the last 40+ years, broadly classified as He Jet and Ion guide. A primary difference between these two techniques is the physical separation of the stopping cell and the ionization cell in the He Jet technique. In this paper we point out two applications of current interest where this physical separation is crucial: 1) ionization (ion beam intensity) is independent of primary beam intensity and 2) multiuser capability for accelerator facilities. Specific examples will be described.
C1 [Das, J. J.; Carter, H. K.] ORISE, UNIRIB, Oak Ridge, TN 37830 USA.
RP Das, JJ (reprint author), ORISE, UNIRIB, Oak Ridge, TN 37830 USA.
EM dasjj@ornl.gov
RI Natowitz, Joseph/D-4160-2015
FU Office of Nuclear Physics, US Department of Energy [DE-AC05-06OR23100,
DE-AC05-00OR22725]; National Nuclear Security Administration under the
Stewardship Science Academic Alliances program through U.S. DOE
Cooperative Agreement [DE-FG52-08NA28552]
FX This research is sponsored by the Office of Nuclear Physics, US
Department of Energy under contracts DE-AC05-06OR23100,
DE-AC05-00OR22725 and the National Nuclear Security Administration under
the Stewardship Science Academic Alliances program through U.S. DOE
Cooperative Agreement No. DE-FG52-08NA28552 with Rutgers University. We
also sincerely acknowledge scientific and technical help received D.W.
Stracener, C. Reed, B. Griffith, Mark E. Whitley, D. Bunch, Frank Smith,
Trevor Register, A.J. Mendez, G. D. Alton, Nate Foster, John Wills, B.
A. Tatum, E. H. Spejewski and R.L. Varner.
NR 12
TC 1
Z9 1
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 420
AR 012165
DI 10.1088/1742-6596/420/1/012165
PG 10
WC Physics, Nuclear
SC Physics
GA BEW69
UT WOS:000318430800165
ER
PT S
AU Gandolfi, S
AF Gandolfi, Stefano
BE Li, BA
Natowitz, JB
TI The equation of state of neutron star matter and the symmetry energy
SO 11TH INTERNATIONAL CONFERENCE ON NUCLEUS-NUCLEUS COLLISIONS (NN2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Nucleus-Nucleus Collisions (NN)
CY MAY 27-JUN 01, 2012
CL Texas A&M Univ, Cyclotron Inst, San Antonio, TX
SP Texas A&M Univ-Commerce, Dept Phys and Astron
HO Texas A&M Univ, Cyclotron Inst
ID MONTE-CARLO CALCULATIONS; NUCLEI
AB We present an overview of microscopic calculations of the Equation of State (EOS) of neutron matter performed using Quantum Monte Carlo techniques. We focus on the role of the model of the three-neutron force in the high-density part of the EOS up to a few times the saturation density. We also discuss the interplay between the symmetry energy and the neutron star mass-radius relation.
The combination of theoretical models of the EOS with recent neutron star observations permits us to constrain the value of the symmetry energy and its slope. We show that astrophysical observations are starting to provide important insights into the properties of neutron star matter.
C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Gandolfi, S (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM stefano@lanl.gov
RI Natowitz, Joseph/D-4160-2015;
OI Gandolfi, Stefano/0000-0002-0430-9035
NR 28
TC 1
Z9 1
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 420
AR 012150
DI 10.1088/1742-6596/420/1/012150
PG 7
WC Physics, Nuclear
SC Physics
GA BEW69
UT WOS:000318430800150
ER
PT S
AU Jiang, CL
Albers, M
Almaraz-Calderon, S
Alcorta, M
Back, BB
Bertone, P
Bucher, B
Collon, P
Courtin, S
Deibel, CM
DiGiovine, B
Esbensen, H
Fang, X
Greene, J
Haas, F
Henderson, DJ
Janssens, RVF
Lauritsen, T
Lefebvre-Schuhl, A
Lister, CJ
Marley, ST
Pardo, R
Paul, M
Rehm, KE
Seweryniak, D
Tang, XD
Ugalde, C
Zhu, S
AF Jiang, C. L.
Albers, M.
Almaraz-Calderon, S.
Alcorta, M.
Back, B. B.
Bertone, P.
Bucher, B.
Collon, P.
Courtin, S.
Deibel, C. M.
DiGiovine, B.
Esbensen, H.
Fang, X.
Greene, J.
Haas, F.
Henderson, D. J.
Janssens, R. V. F.
Lauritsen, T.
Lefebvre-Schuhl, A.
Lister, C. J.
Marley, S. T.
Pardo, R.
Paul, M.
Rehm, K. E.
Seweryniak, D.
Tang, X. D.
Ugalde, C.
Zhu, S.
BE Li, BA
Natowitz, JB
TI Study of the fusion reaction C-12+C-12 at low beam energy
SO 11TH INTERNATIONAL CONFERENCE ON NUCLEUS-NUCLEUS COLLISIONS (NN2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Nucleus-Nucleus Collisions (NN)
CY MAY 27-JUN 01, 2012
CL Texas A&M Univ, Cyclotron Inst, San Antonio, TX
SP Texas A&M Univ-Commerce, Dept Phys and Astron
HO Texas A&M Univ, Cyclotron Inst
ID OR-EQUAL-TO; CROSS-SECTIONS; SUBCOULOMB ENERGIES; ELASTIC-SCATTERING;
COULOMB BARRIER; C-12&C-12; C-12; C-13&C-13; NUCLEI
AB In this article we discuss two aspects related to the C-12 + C-12 fusion reaction at low energies for carbon burning in supermassive stars. First we present plausible arguments for the notion that the observed resonance structures at the lowest measured energies arise from the relatively large spacing and narrow width of Mg-24 compound levels at the corresponding excitation energy region. We thus point out that the Incoming Wave Boundary Condition is inappropriate for calculating the fusion cross section under these situations. Secondly, we report on a particle-gamma coincidence technique that has been used for the first time to measure the fusion cross section in the system C-12 + C-12 at low beam energies. Based on these results, it should be possible to measure this important fusion cross section down to the 10 pb level within a reasonable length of time.
C1 [Jiang, C. L.; Albers, M.; Almaraz-Calderon, S.; Alcorta, M.; Back, B. B.; Bertone, P.; Deibel, C. M.; DiGiovine, B.; Esbensen, H.; Greene, J.; Henderson, D. J.; Janssens, R. V. F.; Lauritsen, T.; Lister, C. J.; Marley, S. T.; Pardo, R.; Rehm, K. E.; Seweryniak, D.; Ugalde, C.; Zhu, S.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA.
RP Jiang, CL (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA.
EM jiang@phy.anl.gov
RI Alcorta, Martin/G-7107-2011; Natowitz, Joseph/D-4160-2015; Tang,
Xiaodong /F-4891-2016
OI Alcorta, Martin/0000-0002-6217-5004;
NR 38
TC 4
Z9 4
U1 0
U2 7
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 420
AR 012120
DI 10.1088/1742-6596/420/1/012120
PG 14
WC Physics, Nuclear
SC Physics
GA BEW69
UT WOS:000318430800120
ER
PT S
AU Lee, IY
AF Lee, I-Yang
BE Li, BA
Natowitz, JB
TI Gamma-ray energy tracking array: GRETINA
SO 11TH INTERNATIONAL CONFERENCE ON NUCLEUS-NUCLEUS COLLISIONS (NN2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Nucleus-Nucleus Collisions (NN)
CY MAY 27-JUN 01, 2012
CL Texas A&M Univ, Cyclotron Inst, San Antonio, TX
SP Texas A&M Univ-Commerce, Dept Phys and Astron
HO Texas A&M Univ, Cyclotron Inst
ID RADIOACTIVE BEAMS; DETECTORS
AB A Gamma-ray energy tracking array can provide higher efficiency, better peak-to-total ratio and higher position resolution than the current generation of detector arrays. Particularly, the capability of reconstructing the position of the interaction with millimetre resolution is needed to fully exploit the physics opportunities provided by current and next generation radioactive beam facilities. This paper presents the basic concepts of energy tracking, examples of physics opportunities, and the status of the GRETINA/GRETA project.
C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA.
RP Lee, IY (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM IYLee@lbl.gov
RI Natowitz, Joseph/D-4160-2015
NR 14
TC 0
Z9 0
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 420
AR 012156
DI 10.1088/1742-6596/420/1/012156
PG 5
WC Physics, Nuclear
SC Physics
GA BEW69
UT WOS:000318430800156
ER
PT S
AU Liang, JF
AF Liang, J. F.
BE Li, BA
Natowitz, JB
TI Unexpected results in neutron-rich radioactive beams induced fusion
SO 11TH INTERNATIONAL CONFERENCE ON NUCLEUS-NUCLEUS COLLISIONS (NN2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Nucleus-Nucleus Collisions (NN)
CY MAY 27-JUN 01, 2012
CL Texas A&M Univ, Cyclotron Inst, San Antonio, TX
SP Texas A&M Univ-Commerce, Dept Phys and Astron
HO Texas A&M Univ, Cyclotron Inst
ID EVEN-EVEN NUCLIDES; COULOMB BARRIER; ION-BEAMS; ENERGIES; FISSION
AB The fission-fragment beams at HRIBF provide a unique opportunity for studying the mechanisms of fusion involving nuclei with large neutron excess. To explore the role of transfer couplings, fusion excitation functions have been measured using neutron-rich radioactive Sn-132 beams incident on Ca-40 and Ni-58 targets. The sub-barrier fusion enhancement for Sn-132+Ca-40 is larger than that for Sn-132+Ni-58 although the neutron transfer Q-values are similar for the two reactions. The fusion excitation function for Ti-46+Sn-124 has been measured in an attempt to resolve the differences observed in Sn-132+Ca-40 and Sn-132+Ni-58.
C1 Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.
RP Liang, JF (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.
RI Natowitz, Joseph/D-4160-2015
NR 19
TC 2
Z9 2
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 420
AR 012125
DI 10.1088/1742-6596/420/1/012125
PG 8
WC Physics, Nuclear
SC Physics
GA BEW69
UT WOS:000318430800125
ER
PT S
AU Morrison, D
AF Morrison, David
CA PHENIX Collaboration
BE Li, BA
Natowitz, JB
TI Jet Measurements in Heavy Ion Collisions with an Upgraded PHENIX
Detector
SO 11TH INTERNATIONAL CONFERENCE ON NUCLEUS-NUCLEUS COLLISIONS (NN2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Nucleus-Nucleus Collisions (NN)
CY MAY 27-JUN 01, 2012
CL Texas A&M Univ, Cyclotron Inst, San Antonio, TX
SP Texas A&M Univ-Commerce, Dept Phys and Astron
HO Texas A&M Univ, Cyclotron Inst
ID QUARK-GLUON PLASMA; COLLABORATION; PERSPECTIVE
AB The PHENIX Collaboration is pursuing an upgrade to the PHENIX detector to enable investigations of specific, outstanding questions that will advance our understanding of the strongly coupled quark-gluon plasma (sQGP). The greatly upgraded detector, called sPHENIX, consists of a superconducting solenoid and electromagnetic and hadronic calorimeters with a fiducial acceptance of Delta phi = 2 pi and |eta| < 1 around an existing silicon tracking detector, the VTX. It will have excellent capabilities for measuring an important set of jet observables. These measurements, in conjunction with similar measurements at the LHC, will provide information about energy loss, transport coefficients, and the fundamental constituents of the sQGP in the domain of strongest coupling, near T-c.
C1 [Morrison, David; PHENIX Collaboration] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Morrison, D (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM morrison@bnl.gov
RI Natowitz, Joseph/D-4160-2015
NR 27
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 420
AR 012025
DI 10.1088/1742-6596/420/1/012025
PG 10
WC Physics, Nuclear
SC Physics
GA BEW69
UT WOS:000318430800025
ER
PT S
AU Nouicer, R
AF Nouicer, Rachid
CA PHENIX Collaboration
BE Li, BA
Natowitz, JB
TI Heavy Flavor Physics in PHENIX
SO 11TH INTERNATIONAL CONFERENCE ON NUCLEUS-NUCLEUS COLLISIONS (NN2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Nucleus-Nucleus Collisions (NN)
CY MAY 27-JUN 01, 2012
CL Texas A&M Univ, Cyclotron Inst, San Antonio, TX
SP Texas A&M Univ-Commerce, Dept Phys and Astron
HO Texas A&M Univ, Cyclotron Inst
ID NUCLEUS-NUCLEUS COLLISIONS; STRIPIXEL DETECTOR; MATTER; COLLABORATION
AB Heavy quarks are good probes of the hot and dense medium created in relativistic heavy ion collisions since they are mainly generated early in the collision and interact with the medium in all collision stages. In addition, heavy flavor quarkonia production is thought to be uniquely sensitive to the deconfined medium of the Quark Gluon Plasma (QGP) through color screening. Heavy quark production has been studied by the PHENIX experiment at RHIC via measurements of single leptons from semi-leptonic decays, in both the electron channel at mid-rapidity and in the muon channel at forward rapidity. Large suppression and azimuthal anisotropy of single electrons have been observed in Au+Au collisions at root s(NN) = 200 GeV. These results suggest a large energy loss and strong flow of the heavy quarks in the hot, dense matter. The PHENIX experiment has also measured J/psi, production in p+p, d+Au, Cu+Cu, and Au+Au collisions at energies up to root s(NN) = 200 GeV. In central Au+Au at 200 GeV, more suppression is observed at forward rapidity than at central rapidity. This can be interpreted either as a sign of quark recombination, or as a hint of additional cold nuclear matter effects. Selected PHENIX results on open heavy flavor and heavy quarkonia production in p+p, d+Au, Cu+Cu, and Au+Au collisions are presented. The status of the recent PHENIX upgrade of the central Silicon Vertex Tracker (VTX) and its performance are elucidated.
C1 [Nouicer, Rachid; PHENIX Collaboration] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
RP Nouicer, R (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
EM rachid.nouicer@bnl.gov
RI Natowitz, Joseph/D-4160-2015
NR 35
TC 2
Z9 2
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 420
AR 012021
DI 10.1088/1742-6596/420/1/012021
PG 8
WC Physics, Nuclear
SC Physics
GA BEW69
UT WOS:000318430800021
ER
PT S
AU Rubert, J
Dorvaux, O
Gall, BJP
Greenlees, PT
Asfari, Z
Piot, J
Andersson, LL
Asai, M
Cox, DM
Dechery, F
Grahn, T
Hauschild, K
Henning, G
Herzan, A
Herzberg, RD
Hessberger, FP
Jakobsson, U
Jones, P
Julin, R
Juutinen, S
Ketelhut, S
Khoo, TL
Leino, M
Ljungvall, J
Lopez-Martens, A
Lozeva, R
Nieminen, P
Pakarinen, J
Papadakis, P
Parr, E
Peura, P
Rahkila, P
Rinta-Antila, S
Ruotsalainen, P
Sandzelius, M
Saren, J
Scholey, C
Seweryniak, D
Sorri, J
Sulignano, B
Theisen, C
Uusitalo, J
Venhart, M
AF Rubert, J.
Dorvaux, O.
Gall, B. J. P.
Greenlees, P. T.
Asfari, Z.
Piot, J.
Andersson, L. L.
Asai, M.
Cox, D. M.
Dechery, F.
Grahn, T.
Hauschild, K.
Henning, G.
Herzan, A.
Herzberg, R-D
Hessberger, F. P.
Jakobsson, U.
Jones, P.
Julin, R.
Juutinen, S.
Ketelhut, S.
Khoo, T-L
Leino, M.
Ljungvall, J.
Lopez-Martens, A.
Lozeva, R.
Nieminen, P.
Pakarinen, J.
Papadakis, P.
Parr, E.
Peura, P.
Rahkila, P.
Rinta-Antila, S.
Ruotsalainen, P.
Sandzelius, M.
Saren, J.
Scholey, C.
Seweryniak, D.
Sorri, J.
Sulignano, B.
Theisen, Ch
Uusitalo, J.
Venhart, M.
BE Li, BA
Natowitz, JB
TI First prompt in-beam gamma-ray spectroscopy of a superheavy element: the
(256)Rf
SO 11TH INTERNATIONAL CONFERENCE ON NUCLEUS-NUCLEUS COLLISIONS (NN2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Nucleus-Nucleus Collisions (NN)
CY MAY 27-JUN 01, 2012
CL Texas A&M Univ, Cyclotron Inst, San Antonio, TX
SP Texas A&M Univ-Commerce, Dept Phys and Astron
HO Texas A&M Univ, Cyclotron Inst
ID ECR ION-SOURCE; TOTAL DATA READOUT; ISOTOPES; NUCLEI
AB Using state-of-the-art gamma-ray spectroscopic techniques, the first rotational band of a superheavy element, extending up to a spin of 20 (h) over bar, was discovered in the nucleus (256)Rf. To perform such an experiment at the limits of the present instrumentation, several developments were needed. The most important of these developments was of an intense isotopically enriched Ti-50 beam using the MIVOC method. The experimental set-up and subsequent analysis allowed the (256)Rf ground-state band to be revealed. The rotational properties of the band are discussed and compared with neighboring transfermium nuclei through the study of their moments of inertia. These data suggest that there is no evidence of a significant deformed shell gap at Z = 104.
C1 [Rubert, J.; Dorvaux, O.; Gall, B. J. P.; Asfari, Z.; Lozeva, R.] Univ Strasbourg, Inst Pluridisciplinaire Hubert Curien, 23 Rue Loess, F-67037 Strasbourg, France.
[Greenlees, P. T.; Grahn, T.; Herzan, A.; Julin, R.; Juutinen, S.; Ketelhut, S.; Peura, P.; Rahkila, P.; Rinta-Antila, S.; Ruotsalainen, P.; Sandzelius, M.; Saren, J.; Scholey, C.; Uusitalo, J.] Univ Jyvaskyla, Dept Phys, FIN-40014 Jyvaskyla, Finland.
[Andersson, L. L.; Cox, D. M.; Herzberg, R-D; Papadakis, P.; Parr, E.] Univ Liverpool, Dept Phys, Liverpool L69 7ZE, Merseyside, England.
[Asai, M.] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan.
[Dechery, F.; Sulignano, B.; Theisen, Ch] CEA, Saclay Ctr, IRFU, Serv Phys Nucl, F-91191 Gif Sur Yvette, France.
[Hauschild, K.; Henning, G.; Lopez-Martens, A.] CNRS, IN2P3, CSNSM, F-91405 Orsay, France.
[Henning, G.; Khoo, T-L; Seweryniak, D.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Hessberger, F. P.] GSI Helmholtzzentrum Schwerionenforsch GmbH, D-64291 Darmstadt, Germany.
[Pakarinen, J.] CERN, ISOLDE, CH-1211 Geneva, Switzerland.
[Venhart, M.] Slovak Acad Sci, Inst Phys, Bratislava SK-84511, Slovakia.
[Piot, J.] GANIL, CEA, DSM CNRS, IN2P3, Caen, France.
RP Rubert, J (reprint author), Univ Strasbourg, Inst Pluridisciplinaire Hubert Curien, 23 Rue Loess, F-67037 Strasbourg, France.
EM jerome.rubert@iphc.cnrs.fr
RI Herzberg, Rolf-Dietmar/E-1558-2011; Scholey, Catherine/G-2720-2014;
Hauschild, Karl/A-6726-2009; THEISEN, Christophe/A-9343-2015; Natowitz,
Joseph/D-4160-2015
OI Scholey, Catherine/0000-0002-8743-6071; THEISEN,
Christophe/0000-0002-8509-1022;
FU EU [262010]; Academy of Finland [131665]; European Research Council
[203481]; EURONS (European Commission) [506065]; UK STFC; Slovak Grant
Agency VEGA [2/0105/11]; U.S. Department of Energy, Office of Nuclear
Physics [DEAC02-06CH11357]
FX This work has been supported by the EU-FP7-IA project ENSAR (No.
262010), the Academy of Finland (CoE in Nuclear ad Accelerator Based
Physics, Grant to T.G contract No. 131665), the European Research
Council through the project SHESTRUCT (Grant Agreement No. 203481),
EURONS (European Commission Contract No. 506065), the UK STFC, the
Slovak Grant Agency VEGA (Contract No. 2/0105/11) and the U.S.
Department of Energy, Office of Nuclear Physics, under Contract No.
DEAC02-06CH11357. The GAMMAPOOL European Spectroscopy Resource is
thanked for the loan of detectors for JUROGAM II.
NR 24
TC 0
Z9 0
U1 0
U2 8
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 420
AR 012010
DI 10.1088/1742-6596/420/1/012010
PG 10
WC Physics, Nuclear
SC Physics
GA BEW69
UT WOS:000318430800010
ER
PT S
AU Videbaek, F
AF Videbaek, Flemming
CA STAR Collaboration
BE Li, BA
Natowitz, JB
TI Heavy Flavor Physics in STAR
SO 11TH INTERNATIONAL CONFERENCE ON NUCLEUS-NUCLEUS COLLISIONS (NN2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Nucleus-Nucleus Collisions (NN)
CY MAY 27-JUN 01, 2012
CL Texas A&M Univ, Cyclotron Inst, San Antonio, TX
SP Texas A&M Univ-Commerce, Dept Phys and Astron
HO Texas A&M Univ, Cyclotron Inst
ID CHARM
AB In relativistic heavy ion collisions at RHIC, heavy quarks are primarily created from initial hard scatterings. Since their large masses are not easily affected by the strong interaction with QCD medium they may carry information from the system at early stage. The interaction between heavy quarks and the medium is sensitive to the medium dynamics; therefore heavy quarks are suggested as an ideal probe to quantify the properties of the strongly interacting QCD matter. The STAR Collaboration should complete the Heavy Flavor Tracker (HFT) and the Muon Telescope Detector (MTD) upgrades by 2014. These detectors will greatly enhance the STAR physics capability to measure heavy quark collectivity and correlations using topologically reconstructed charmed hadrons and heavy quark decay electron-muon correlations. In addition, measurements of the quarkonium muon decay channels will enable us to separate Upsilon 1S from 2S and 3S states in p + p and A+A collisions. Selected STAR results on open charm and quarkonia production in p + p and Au+Au collisions at 200 GeV are presented. An overview of the upgrades, their expected performance and current status is presented.
C1 [Videbaek, Flemming; STAR Collaboration] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Videbaek, F (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM videbaek@bnl.gov
RI Natowitz, Joseph/D-4160-2015
NR 16
TC 0
Z9 0
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 420
AR 012024
DI 10.1088/1742-6596/420/1/012024
PG 9
WC Physics, Nuclear
SC Physics
GA BEW69
UT WOS:000318430800024
ER
PT S
AU Wong, CY
AF Wong, Cheuk-Yin
BE Li, BA
Natowitz, JB
TI Feynman Amplitude Approach to study the Passage of a Jet in a Medium
SO 11TH INTERNATIONAL CONFERENCE ON NUCLEUS-NUCLEUS COLLISIONS (NN2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Nucleus-Nucleus Collisions (NN)
CY MAY 27-JUN 01, 2012
CL Texas A&M Univ, Cyclotron Inst, San Antonio, TX
SP Texas A&M Univ-Commerce, Dept Phys and Astron
HO Texas A&M Univ, Cyclotron Inst
ID HIGH-ENERGY SCATTERING; COLLISIONS; QCD; DIAGRAMS; STAR
AB In the Feynman amplitude approach for coherent collisions of a jet with medium partons, the Bose-Einstein symmetry with respect to the interchange of the exchanged bosons leads to a destructive interference of the amplitudes in most regions of the phase space but a constructive interference in some other regions. As a consequence, there is a collective longitudinal momentum transfer to the scatterers along the jet direction, each scatterer carrying a substantial fraction of the incident jet longitudinal momentum. The manifestation of the Bose-Einstein interference may have been observed in angular correlations of hadrons associated with a high-p(T) trigger in high-energy collisions at RHIC and LHC.
C1 Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.
RP Wong, CY (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.
EM wongc@ornl.gov
RI Natowitz, Joseph/D-4160-2015;
OI Wong, Cheuk-Yin/0000-0001-8223-0659
NR 57
TC 0
Z9 0
U1 0
U2 8
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 420
AR UNSP 012028
DI 10.1088/1742-6596/420/1/012028
PG 10
WC Physics, Nuclear
SC Physics
GA BEW69
UT WOS:000318430800028
ER
PT B
AU Bierbaum, RL
Robertson, AA
AF Bierbaum, Rene L.
Robertson, Alix A.
GP IEEE
TI Defect Types and Surveillance Strategies for One-Shot Items
SO 59TH ANNUAL RELIABILITY AND MAINTAINABILITY SYMPOSIUM (RAMS)
LA English
DT Proceedings Paper
CT 59th Annual Reliability and Maintainability Symposium (RAMS)
CY JAN 28-31, 2013
CL Orlando, FL
SP IIE, IEST, AIAA, IEEE Reliabil Soc, SAE Int, Soc Reliabil Engineers (SRE), SSS, ASQ, Elect & Commun Div, ASQ, Reliabil Div
DE one-shot items; surveillance; defect taxonomy
AB This paper will describe some of the challenges and strategies for sampling and testing of complex one-shot systems. A taxonomy for defect types will be offered that informs the nature of the testing and analysis that should be done. In addition, some options for balancing and articulating risk will be summarized for the various surveillance programs described.
C1 [Bierbaum, Rene L.; Robertson, Alix A.] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Bierbaum, RL (reprint author), Sandia Natl Labs, POB 969,MS9007, Livermore, CA 94551 USA.
EM rlbierb@sandia.gov; aarober@sandia.gov
NR 8
TC 0
Z9 0
U1 0
U2 0
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
BN 978-1-4673-4711-2
PY 2013
PG 6
WC Engineering, Industrial; Engineering, Electrical & Electronic;
Operations Research & Management Science
SC Engineering; Operations Research & Management Science
GA BFW62
UT WOS:000321693500016
ER
PT S
AU Westbrook, CK
AF Westbrook, Charles K.
BE Johnson, MA
Martinez, TJ
TI Biofuels Combustion
SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 64
SE Annual Review of Physical Chemistry
LA English
DT Review; Book Chapter
DE ethanol; iso-pentanol; biodiesel; methyl esters; combustion
ID LOW-TEMPERATURE COMBUSTION; IGNITION DELAY TIMES; KINETIC
REACTION-MECHANISMS; INJECTION DIESEL-ENGINE; PRESSURE RATE RULES;
AEROSOL SHOCK-TUBE; BIODIESEL FUELS; METHYL OLEATE; CHEMICAL-KINETICS;
LIQUID BIOFUELS
AB This review describes major features of current research in renewable fuels derived from plants and from fatty acids. Recent and ongoing fundamental studies of biofuel molecular structure, oxidation reactions, and biofuel chemical properties are reviewed, in addition to combustion applications of biofuels in the major types of engines in which biofuels are used. Biofuels and their combustion are compared with combustion features of conventional petroleum-based fuels. Two main classes of biofuels are described, those consisting of small, primarily alcohol, fuels ( particularly ethanol, n-butanol, and iso-pentanol) that are used primarily to replace or supplement gasoline and those derived from fatty acids and used primarily to replace or supplement conventional diesel fuels. Research efforts on so-called second- and third-generation biofuels are discussed briefly.
C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
RP Westbrook, CK (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
EM Westbrook1@llnl.gov
NR 115
TC 43
Z9 44
U1 13
U2 133
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0066-426X
BN 978-0-8243-1064-6
J9 ANNU REV PHYS CHEM
JI Annu. Rev. Phys. Chem.
PY 2013
VL 64
BP 201
EP 219
DI 10.1146/annurev-physchem-040412-110009
PG 19
WC Chemistry, Physical
SC Chemistry
GA BFX47
UT WOS:000321771600010
PM 23298249
ER
PT S
AU Geissler, PL
AF Geissler, Phillip L.
BE Johnson, MA
Martinez, TJ
TI Water Interfaces, Solvation, and Spectroscopy
SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 64
SE Annual Review of Physical Chemistry
LA English
DT Review; Book Chapter
DE liquid water; interfaces; ion solvation; isosbestic behavior;
vibrational spectroscopy
ID SUM-FREQUENCY GENERATION; ULTRAFAST INFRARED-SPECTROSCOPY; ECHO
CORRELATION SPECTROSCOPY; HYDROGEN-BOND DYNAMICS; ATMOSPHERICALLY
RELEVANT IONS; LIQUID-VAPOR INTERFACE; 3-PULSE PHOTON-ECHOES; GAUSSIAN
FIELD MODEL; OH STRETCHING BAND; RAMAN LINE-SHAPES
AB Liquid water consistently expands our appreciation of the rich statistical mechanics that can emerge from simple molecular constituents. Here I review several interrelated areas of recent work on aqueous systems that aim to explore and explain this richness by revealing molecular arrangements, their thermodynamic origins, and the timescales on which they change. Vibrational spectroscopy of OH stretching features prominently in these discussions, with an emphasis on efforts to establish connections between spectroscopic signals and statistics of intermolecular structure. For bulk solutions, the results of these efforts largely verify and enrich existing physical pictures of hydrogen-bond network connectivity, dynamics, and response. For water at interfaces, such pictures are still emerging. As an important example I discuss the solvation of small ions at the air-water interface, whose surface propensities challenge a basic understanding of how aqueous fluctuations accommodate solutes in heterogeneous environments.
C1 [Geissler, Phillip L.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Geissler, Phillip L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Geissler, PL (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM geissler@berkeley.edu
NR 115
TC 43
Z9 43
U1 7
U2 88
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0066-426X
BN 978-0-8243-1064-6
J9 ANNU REV PHYS CHEM
JI Annu. Rev. Phys. Chem.
PY 2013
VL 64
BP 317
EP 337
DI 10.1146/annurev-physchem-040412-110153
PG 21
WC Chemistry, Physical
SC Chemistry
GA BFX47
UT WOS:000321771600015
PM 23298244
ER
PT S
AU Tobias, DJ
Stern, AC
Baer, MD
Levin, Y
Mundy, CJ
AF Tobias, Douglas J.
Stern, Abraham C.
Baer, Marcel D.
Levin, Yan
Mundy, Christopher J.
BE Johnson, MA
Martinez, TJ
TI Simulation and Theory of Ions at Atmospherically Relevant Aqueous
Liquid-Air Interfaces
SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 64
SE Annual Review of Physical Chemistry
LA English
DT Review; Book Chapter
DE atmospheric chemistry; interfacial chemistry; specific ion effects;
molecular dynamics; dielectric continuum theory
ID MOLECULAR-DYNAMICS SIMULATIONS; SUM-FREQUENCY GENERATION;
DENSITY-FUNCTIONAL THEORY; POLARIZABLE FORCE-FIELD; VAPOR INTERFACE;
SURFACE-TENSION; SALT-SOLUTIONS; AIR/WATER INTERFACE; VIBRATIONAL
SPECTROSCOPY; WATER-SURFACE
AB Chemistry occurring at or near the surface of aqueous droplets and thin films in the atmosphere influences air quality and climate. Molecular dynamics simulations are becoming increasingly useful for gaining atomic-scale insight into the structure and reactivity of aqueous interfaces in the atmosphere. Here we review simulation studies of atmospherically relevant aqueous liquid-air interfaces, with an emphasis on ions that play important roles in the chemistry of atmospheric aerosols. In addition to surveying results from simulation studies, we discuss challenges to the refinement and experimental validation of the methodology for simulating ion adsorption to the air-water interface and recent advances in elucidating the driving forces for adsorption. We also review the recent development of a dielectric continuum theory capable of reproducing simulation and experimental data on ion behavior at aqueous interfaces.
C1 [Tobias, Douglas J.; Stern, Abraham C.] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA.
[Baer, Marcel D.; Mundy, Christopher J.] Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99352 USA.
[Levin, Yan] Univ Fed Rio Grande do Sul, Inst Fis, BR-91501970 Porto Alegre, RS, Brazil.
RP Tobias, DJ (reprint author), Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA.
EM dtobias@uci.edu; acstern@uci.edu; marcel.baer@pnnl.gov;
levin@if.ufrgs.br; chris.mundy@pnnl.gov
RI Baer, Marcel/K-7664-2012; Levin, Yan/H-5589-2012; Tobias,
Douglas/B-6799-2015
NR 132
TC 53
Z9 53
U1 8
U2 126
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0066-426X
BN 978-0-8243-1064-6
J9 ANNU REV PHYS CHEM
JI Annu. Rev. Phys. Chem.
PY 2013
VL 64
BP 339
EP 359
DI 10.1146/annurev-physchem-040412-110049
PG 21
WC Chemistry, Physical
SC Chemistry
GA BFX47
UT WOS:000321771600016
PM 23331311
ER
PT S
AU Gordon, MS
Smith, QA
Xu, P
Slipchenko, LV
AF Gordon, Mark S.
Smith, Quentin A.
Xu, Peng
Slipchenko, Lyudmila V.
BE Johnson, MA
Martinez, TJ
TI Accurate First Principles Model Potentials for Intermolecular
Interactions
SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 64
SE Annual Review of Physical Chemistry
LA English
DT Review; Book Chapter
DE effective fragment potential; EFP; charge transfer; dispersion; exchange
repulsion; QM/EFP
ID MOLECULAR-ORBITAL METHODS; EFFECTIVE FRAGMENT METHOD; QUANTUM-MECHANICAL
CALCULATIONS; ENERGY DECOMPOSITION ANALYSIS; ADAPTED
PERTURBATION-THEORY; CLOSED-SHELL MOLECULES; WATER CLUSTERS;
CHARGE-TRANSFER; AB-INITIO; AQUEOUS-SOLUTION
AB The general effective fragment potential (EFP) method provides model potentials for any molecule that is derived from first principles, with no empirically fitted parameters. The EFP method has been interfaced with most currently used ab initio single-reference and multireference quantum mechanics (QM) methods, ranging from Hartree-Fock and coupled cluster theory to multireference perturbation theory. The most recent innovations in the EFP model have been to make the computationally expensive charge transfer term much more efficient and to interface the general EFP dispersion and exchange repulsion interactions with QM methods. Following a summary of the method and its implementation in generally available computer programs, these most recent new developments are discussed.
C1 [Gordon, Mark S.; Smith, Quentin A.; Xu, Peng] Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
[Gordon, Mark S.; Smith, Quentin A.; Xu, Peng] Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
[Slipchenko, Lyudmila V.] Purdue Univ, Dept Chem, W Lafayette, IN 47907 USA.
RP Gordon, MS (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
EM mark@si.msg.chem.iastate.edu; schrodinator@gmail.com; pxu@iastate.edu;
lslipchenko@purdue.edu
NR 138
TC 52
Z9 52
U1 3
U2 66
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0066-426X
BN 978-0-8243-1064-6
J9 ANNU REV PHYS CHEM
JI Annu. Rev. Phys. Chem.
PY 2013
VL 64
BP 553
EP 578
DI 10.1146/annurev-physchem-040412-110031
PG 26
WC Chemistry, Physical
SC Chemistry
GA BFX47
UT WOS:000321771600025
PM 23561011
ER
PT S
AU Shu, JY
Panganiban, B
Xu, T
AF Shu, Jessica Y.
Panganiban, Brian
Xu, Ting
BE Johnson, MA
Martinez, TJ
TI Peptide-Polymer Conjugates: From Fundamental Science to Application
SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 64
SE Annual Review of Physical Chemistry
LA English
DT Review; Book Chapter
DE hybrid biomaterial; self-assembly; polymer conformation; protein-polymer
interaction
ID HYBRID BLOCK-COPOLYMERS; SOLID-STATE STRUCTURE; DIBLOCK COPOLYMERS;
GIANT AMPHIPHILES; DRUG-DELIVERY; GENE DELIVERY; POLY(ETHYLENE GLYCOL);
COFACTOR RECONSTITUTION; RADICAL POLYMERIZATION; SYNTHETIC STRATEGIES
AB Peptide/protein-polymer conjugates make up a new class of soft matter comprising natural and synthetic building blocks. They have the potential to combine the advantages of proteins and synthetic polymers (i.e., the precise chemical structure and diverse functionalities of biomolecules and the stability and processability of synthetic polymers) to generate hybrid materials with properties yet to be realized with either component alone. Here we briefly discuss recent developments in the design, fundamental understanding, and self-assembly of various peptide-polymer conjugates, as well as emerging biological and nonbiological applications that range from nanomedicine, to separation, and beyond.
C1 [Shu, Jessica Y.; Panganiban, Brian; Xu, Ting] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Xu, Ting] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Xu, Ting] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Shu, JY (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
EM tingxu@berkeley.edu
NR 142
TC 67
Z9 68
U1 11
U2 158
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0066-426X
BN 978-0-8243-1064-6
J9 ANNU REV PHYS CHEM
JI Annu. Rev. Phys. Chem.
PY 2013
VL 64
BP 631
EP 657
DI 10.1146/annurev-physchem-040412-110108
PG 27
WC Chemistry, Physical
SC Chemistry
GA BFX47
UT WOS:000321771600028
PM 23331303
ER
PT J
AU Yan, XQ
Wang, XJ
Tang, Y
Ma, GC
Zou, SH
Li, RH
Peng, XG
Dai, S
Fan, J
AF Yan, Xiaoqing
Wang, Xiaojuan
Tang, Yu
Ma, Guicen
Zou, Shihui
Li, Renhong
Peng, Xiaogang
Dai, Sheng
Fan, Jie
TI Ordered, extra-large mesopores with highly loaded gold nanoparticles: a
new sintering- and coking-resistant catalyst system
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID OXIDATION; PHASE; DEACTIVATION; ALCOHOLS; N2O
AB Ordered, extra-large mesopores with highly loaded gold nanoparticles (AuNPs) exhibits unique sintering- and coking-resistant properties in gas-phase, cyclohexanol selective aerobic oxidation.
C1 [Yan, Xiaoqing; Wang, Xiaojuan; Tang, Yu; Ma, Guicen; Zou, Shihui; Li, Renhong; Peng, Xiaogang; Fan, Jie] Zhejiang Univ, Key Lab Appl Chem Zhejiang Prov, Dept Chem, Hangzhou 310003, Zhejiang, Peoples R China.
[Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
RP Fan, J (reprint author), Zhejiang Univ, Key Lab Appl Chem Zhejiang Prov, Dept Chem, Hangzhou 310003, Zhejiang, Peoples R China.
EM jfan@zju.edu.cn
RI Fan, Jie/B-3740-2008; Li, Renhong/G-7778-2016; Zou, Shihui/H-9607-2012;
Dai, Sheng/K-8411-2015
OI Fan, Jie/0000-0002-8380-6338; Li, Renhong/0000-0002-8327-5506; Zou,
Shihui/0000-0001-5564-4151; Dai, Sheng/0000-0002-8046-3931
NR 23
TC 4
Z9 4
U1 8
U2 98
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2013
VL 49
IS 66
BP 7274
EP 7276
DI 10.1039/c3cc39196e
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 187UE
UT WOS:000322145300001
PM 23615685
ER
PT J
AU Fulvio, PF
Hillesheim, PC
Oyola, Y
Mahurin, SM
Veith, GM
Dai, S
AF Fulvio, Pasquale F.
Hillesheim, Patrick C.
Oyola, Yatsandra
Mahurin, Shannon M.
Veith, Gabriel M.
Dai, Sheng
TI A new family of fluidic precursors for the self-templated synthesis of
hierarchical nanoporous carbons
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID DOUBLE-LAYER CAPACITORS; IONIC LIQUIDS; MESOPOROUS CARBONS;
BLOCK-COPOLYMERS; POROUS CARBON; NITROGEN; FLUORINATION; PERFORMANCE;
STORAGE
AB Hierarchical nanoporous nitrogen-doped carbons were prepared from task specific ionic liquids having a bis-imidazolium motif linked with various organic groups. While ethyl chains linking the imidazolium ions afforded microporous-mesoporous carbons, long or aromatic groups resulted in microporous samples.
C1 [Fulvio, Pasquale F.; Hillesheim, Patrick C.; Oyola, Yatsandra; Mahurin, Shannon M.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Veith, Gabriel M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
RP Fulvio, PF (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM fulviopf@ornl.gov; dais@ornl.gov
RI Fulvio, Pasquale/B-2968-2014; Dai, Sheng/K-8411-2015
OI Fulvio, Pasquale/0000-0001-7580-727X; Dai, Sheng/0000-0002-8046-3931
FU Fluid Interface Reactions, Structures, and Transport (FIRST) Center, an
Energy Frontier Research Center; U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences (Carbons, BET, CV, TEM);
Division of Chemical Sciences, Geosciences, and Biosciences (ILs, NMR,
MS, TEM); GMV Division of Materials Sciences and Engineering (XPS, BET);
U.S. Department of Energy's Office of Basic Energy Science
FX PFF and SD were supported as part of the Fluid Interface Reactions,
Structures, and Transport (FIRST) Center, an Energy Frontier Research
Center funded by the U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences (Carbons, BET, CV, TEM). PCH, YO, and
SMM were sponsored by Division of Chemical Sciences, Geosciences, and
Biosciences (ILs, NMR, MS, TEM) and GMV Division of Materials Sciences
and Engineering (XPS, BET), U.S. Department of Energy's Office of Basic
Energy Science.
NR 31
TC 15
Z9 15
U1 3
U2 72
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
EI 1364-548X
J9 CHEM COMMUN
JI Chem. Commun.
PY 2013
VL 49
IS 66
BP 7289
EP 7291
DI 10.1039/c3cc44175j
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 187UE
UT WOS:000322145300006
PM 23846510
ER
PT J
AU Hubaud, AA
Schroeder, DJ
Key, B
Ingram, BJ
Dogan, F
Vaughey, JT
AF Hubaud, Aude A.
Schroeder, David J.
Key, Baris
Ingram, Brian J.
Dogan, Fulya
Vaughey, John T.
TI Low temperature stabilization of cubic (Li7-xAlx/3) La3Zr2O12: role of
aluminum during formation
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID GARNET-TYPE LI7LA3ZR2O12; SOLID-ELECTROLYTE; TETRAGONAL LI7LA3ZR2O12;
AL; STATE; CONDUCTIVITY; BATTERIES; CERAMICS
AB The lithium lanthanum zirconium oxide garnet, Li7La3Zr2O12 (LLZ), has received significant attention in recent years due to its high room temperature lithium ion conductivity and its stability against lithium metal. Together these features make it a promising electrolyte candidate for a high energy all solid-state battery. Previous studies have shown that incorporation of aluminum cations during the synthesis stabilizes the higher conductivity cubic phase of LLZ; however the incorporation process and its effect on the phase transition are still unclear. In the present study, we have combined powder X-ray diffraction (XRD), Al-27 and Li-7 MAS NMR and high-resolution X-ray diffraction (HRXRD) to determine the disposition of Al cations during the formation of low temperature cubic LLZ. At temperatures as low as 700 degrees C, the aluminum is incorporated into amorphous or nanocrystalline grain boundary phases. Above 700 degrees C, the Al cations are associated with a poorly crystalline anti-fluorite phase Li5AlO4, composed of molecular [AlO4](5-) anions. This phase then reacts with tetragonal LLZ to form cubic LLZ over a 25 hour period at 850 degrees C. Although the reaction appears complete by powder X-ray diffraction, Al-27 NMR spectra showed overlapping resonances suggesting multiple Al environments due to uneven substitution of the 24d Li(1) site. This was confirmed by high-resolution XRD and was consistent with a series of closely related cubic LLZ phases with slightly different Al concentrations, indicating the slower Al(III) diffusion within the lattice has not reached equilibrium in the time allotted. The disorder over the two crystallographic tetrahedral sites by lithium and aluminum cations at this temperature contributes to the observed lattice enlargement associated with the low temperature cubic phase.
C1 [Hubaud, Aude A.; Key, Baris; Ingram, Brian J.; Dogan, Fulya; Vaughey, John T.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Schroeder, David J.] No Illinois Univ, Dept Engn Technol, Coll Engn & Engn Technol, De Kalb, IL 60115 USA.
RP Hubaud, AA (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM vaughey@anl.gov
OI Vaughey, John/0000-0002-2556-6129
FU Integrated Laboratory Industry Research Program (ILIRP), Office of
Vehicle Technologies, Office of Energy Efficiency and Renewable Energy
(EERE) of the U.S. Department of Energy by UChicago Argonne LLC
[DE-AC02-06CH11357]
FX The authors would like to thank Dr Martin Bettge for helpful discussion
and assistance with the conductivity measurements. Support for this work
came from Integrated Laboratory Industry Research Program (ILIRP),
Office of Vehicle Technologies, Office of Energy Efficiency and
Renewable Energy (EERE) of the U.S. Department of Energy under Contract
no. DE-AC02-06CH11357 by UChicago Argonne LLC and is gratefully
acknowledged.
NR 24
TC 40
Z9 41
U1 4
U2 124
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 31
BP 8813
EP 8818
DI 10.1039/c3ta11338h
PG 6
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 184CN
UT WOS:000321864300017
ER
PT J
AU Yin, Z
Chi, MF
Zhu, QJ
Ma, D
Sun, JM
Bao, XH
AF Yin, Zhen
Chi, Miaofang
Zhu, Qingjun
Ma, Ding
Sun, Junming
Bao, Xinhe
TI Supported bimetallic PdAu nanoparticles with superior electrocatalytic
activity towards methanol oxidation
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID TRANSMISSION ELECTRON-MICROSCOPY; ALCOHOL FUEL-CELLS;
CATALYTIC-ACTIVITY; HYDROGEN-PEROXIDE; OXYGEN REDUCTION; ALKALINE MEDIA;
ELECTROCHEMICAL OXIDATION; ALLOY ELECTROCATALYSTS; PALLADIUM CATALYSTS;
AU
AB Monodispersed bimetallic PdAu nanoparticles with controlled composition are prepared by an emulsion-assisted synthetic strategy with ternary metal precursors in the surfactants of oleic acid and oleylamine. The PdAu nanoparticles are loaded on a carbon support, and their electrocatalytic activities are tested for methanol oxidation in alkaline media. The bimetallic PdAu nanoparticles show superior electrocatalytic activities for methanol oxidation compared with the pure Pd nanoparticles prepared by the same method. The most active Pd30Au70 nanoparticles, with significantly low Pd content, even show remarkably higher activities than the commercial Pt/C catalyst. Various characterization techniques such as TEM, XPS and UV-vis are applied to study the nature of the catalysts. It is concluded that the increased activity is dependant on the unique Pd-rich shell and Au-rich core structure of such bimetallic PdAu particles as well as the nature of the Pd species on the catalyst surface.
C1 [Yin, Zhen] Tianjin Polytech Univ, Sch Environm & Chem Engn, Tianjin 300387, Peoples R China.
[Chi, Miaofang] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Zhu, Qingjun] Natl Inst Clean & Low Carbon Energy, Beijing 102209, Peoples R China.
[Ma, Ding] Peking Univ, Coll Chem & Mol Engn, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China.
[Sun, Junming] Washington State Univ, Sch Chem Engn & Bioengn, Pullman, WA 99164 USA.
[Bao, Xinhe] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China.
RP Ma, D (reprint author), Peking Univ, Coll Chem & Mol Engn, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China.
EM dma@pku.edu.cn
RI Sun, Junming/B-3019-2011; li, haobo/P-5373-2014; Yin, Zhen/I-6356-2015;
Chi, Miaofang/Q-2489-2015
OI Sun, Junming/0000-0002-0071-9635; li, haobo/0000-0002-9215-3754; Yin,
Zhen/0000-0002-1252-7809; Chi, Miaofang/0000-0003-0764-1567
FU National Natural Science Foundation of China [21173009, 21222306]; 973
Project [2011CB201402, 2013CB933100]; High School Science & Technology
Fund Planning Project of Tianjin [20120513]; Chinese Academy of Science;
Division of Scientific User Facilities, Office of Basic Energy Sciences,
U. S. Department of Energy
FX This work was supported by the National Natural Science Foundation of
China (21173009, 21222306), 973 Project (2011CB201402, 2013CB933100),
and High School Science & Technology Fund Planning Project of Tianjin
(20120513). D. M. thanks the Chinese Academy of Science for financial
support through the Bairen project. We gratefully acknowledge the
contributions of Professor Jian Chen and Dr Yining Zhang for assistance
and discussion on the electrochemical measurements, Dr Rentao Mu for
discussion on the XPS spectra, from Dalian Institute of Chemical
Physics, the Chinese Academy of Science. Part of the STEM work was
performed at ORNL SHaRE User Facility, which is supported by the
Division of Scientific User Facilities, Office of Basic Energy Sciences,
U. S. Department of Energy.
NR 53
TC 29
Z9 29
U1 5
U2 83
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 32
BP 9157
EP 9163
DI 10.1039/c3ta11592e
PG 7
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 187LT
UT WOS:000322121300021
ER
PT J
AU Won, J
Vernon, LJ
Karakuscu, A
Dickerson, RM
Cologna, M
Raj, R
Wang, YQ
Yoo, SJ
Lee, SH
Misra, A
Uberuaga, BP
AF Won, Jonghan
Vernon, Louis J.
Karakuscu, Aylin
Dickerson, Robert M.
Cologna, Marco
Raj, Rishi
Wang, Yongqiang
Yoo, Seung Jo
Lee, Seok-Hoon
Misra, Amit
Uberuaga, Blas P.
TI The role of non-stoichiometric defects in radiation damage evolution of
SrTiO3
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID RUDDLESDEN-POPPER PHASES; THIN-FILMS; AMORPHIZATION; BOUNDARY; OXIDES;
STOICHIOMETRY; SIMULATIONS; IRRADIATION; PEROVSKITE; RESISTANCE
AB The response of polycrystalline SrTiO3, fabricated by the flash sintering method, to ion beam irradiation was investigated by means of transmission electron microscopy (TEM) and atomic scale modeling. The samples were implanted with 250 keV Ne ions at fluences between 1.11 x 10(16) and 2.25 x 10(16) ions per cm(2) at room temperature and then characterized using scanning transmission electron microscopy and high voltage TEM. We observed that this material has a large number of Ruddlesden-Popper (RP) faults, related to the non-stoichiometry of the material, in a random and sometimes complicated arrangement. These faults have a significant impact on the radiation damage evolution of the material. In particular, the faults amorphize more quickly than the surrounding SrTiO3 matrix. We examined the interaction of point defects with the RP faults using atomistic modeling and determined that both the thermodynamic and kinetic properties of defects are significantly influenced by the presence of the faults, providing insight into the experimental observations. We conclude that planar defects such as RP faults can have a significant impact on the radiation damage evolution of SrTiO3 and might be one avenue for controlling radiation tolerance in complex materials.
C1 [Won, Jonghan; Vernon, Louis J.; Karakuscu, Aylin; Dickerson, Robert M.; Wang, Yongqiang; Uberuaga, Blas P.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
[Misra, Amit] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
[Cologna, Marco; Raj, Rishi] Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA.
[Won, Jonghan; Yoo, Seung Jo; Lee, Seok-Hoon] Korea Basic Sci Inst, Div Electron Microscop Res, Taejon 305333, South Korea.
RP Uberuaga, BP (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
EM jhwon@kbsi.re.kr; blas@lanl.gov
RI Misra, Amit/H-1087-2012; Vernon, Louis/K-9729-2016;
OI Vernon, Louis/0000-0001-5379-7488; RAJ, RISHI/0000-0001-8556-9797; won,
Jonghan/0000-0002-7612-1322
FU Center for Materials at Irradiation and Mechanical Extremes, an Energy
Frontier Research Center; U.S. Department of Energy (DOE), Office of
Science, Office of Basic Energy Sciences [2008LANL1026]; National
Nuclear Security Administration of the U.S. DOE [DE-AC52-06NA25396];
Korea Basic Science Institute [T33526]
FX The authors wish to acknowledge K. E. Sickafus and X.-M. Bai for helpful
discussions. We also thank A. F. Voter for the use of his CLSMAN
simulation code. This work was supported as part of the Center for
Materials at Irradiation and Mechanical Extremes, an Energy Frontier
Research Center funded by the U.S. Department of Energy (DOE), Office of
Science, Office of Basic Energy Sciences under Award number
2008LANL1026. 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. DOE
under contract DE-AC52-06NA25396. Some of the microscopy reported in
Fig. 3 was performed by J. W. as part of his new employment at the Korea
Basic Science Institute. J. W., S. J. Y., and S. H. L. acknowledge
support from the Korea Basic Science Institute, grant number T33526.
NR 44
TC 4
Z9 4
U1 7
U2 37
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 32
BP 9235
EP 9245
DI 10.1039/c3ta11046j
PG 11
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 187LT
UT WOS:000322121300031
ER
PT J
AU Nikiforov, MP
Strzalka, J
Jiang, Z
Darling, SB
AF Nikiforov, Maxim P.
Strzalka, Joseph
Jiang, Zhang
Darling, Seth B.
TI Lanthanides: new metallic cathode materials for organic photovoltaic
cells
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID POLYMER SOLAR-CELLS; CONVERSION EFFICIENCY; LAYER; INTERFACE; ENERGY;
TRANSMISSION; DEPOSITION; SCATTERING; BLOCKING; ANODE
AB Organic photovoltaics (OPVs) are compliant with inexpensive, scalable, and environmentally benign manufacturing technologies. While substantial attention has been focused on optimization of active layer chemistry, morphology, and processing, far less research has been directed to understanding charge transport at the interfaces between the electrodes and the active layer. Electrical properties of these interfaces not only impact efficiency, but also play a central role in stability of organic solar cells. Low work function metals are the most widely used materials for the electron transport layer with Ca being the most common material. In bulk heterojunction OPV devices, low work function metals are believed to mirror the role they play in OLEDs, where such metals are used to control carrier selectivity, transport, extraction, and blocking, as well as interface band bending. Despite their advantages, low work function materials are generally prone to reactions with water, oxygen, nitrogen, and carbon dioxide from air leading to rapid device degradation. Here we discuss the search for a new metallic cathode interlayer material that increases device stability and still provides device efficiency similar to that achieved with a Ca interlayer.
C1 [Nikiforov, Maxim P.; Darling, Seth B.] Argonne Natl Lab, Ctr Nanoscale Mat, Lemont, IL 60439 USA.
[Strzalka, Joseph; Jiang, Zhang] Argonne Natl Lab, Xray Sci Div, Lemont, IL 60439 USA.
[Darling, Seth B.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA.
RP Nikiforov, MP (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Lemont, IL 60439 USA.
EM maximnik@gmail.com; darling@anl.gov
RI Jiang, Zhang/A-3297-2012
OI Jiang, Zhang/0000-0003-3503-8909
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences User Facility [DE-AC02-06CH11357]; U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357];
Director's Fellowship Program
FX 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 No. DE-AC02-06CH11357. Use of the
Advanced Photon Source (APS) 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. MPN is
grateful to the Director's Fellowship Program for financial support.
NR 48
TC 5
Z9 5
U1 3
U2 47
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 31
BP 13052
EP 13060
DI 10.1039/c3cp52327f
PG 9
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 185GF
UT WOS:000321954200031
PM 23817556
ER
PT J
AU Zhang, LL
Huang, XY
Qin, CY
Brinkman, K
Gong, YH
Wang, SW
Huang, K
AF Zhang, Lingling
Huang, Xinyu
Qin, Changyong
Brinkman, Kyle
Gong, Yunhui
Wang, Siwei
Huang, Kevin
TI First spectroscopic identification of pyrocarbonate for high CO2 flux
membranes containing highly interconnected three dimensional ionic
channels
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID CARBON-DIOXIDE SEPARATION; AB-INITIO CALCULATIONS; RAMAN-SPECTROSCOPY;
HIGH-TEMPERATURE; CAPTURE TECHNOLOGY; ALKALI CARBONATES;
POWER-GENERATION; EUTECTIC MIXTURE; BASIS-SET; CO2/CH4
AB Identification of the existence of pyrocarbonate ion C2O52- in molten carbonates exposed to a CO2 atmosphere provides key support for a newly established bi-ionic transport model that explains the mechanisms of high CO2 permeation flux observed in mixed oxide-ion and carbonate-ion conducting (MOCC) membranes containing highly interconnected three dimensional ionic channels. Here we report the first Raman spectroscopic evidence of C2O52- as an active species involved in the CO2-transport process of MOCC membranes exposed to a CO2 atmosphere. The two new broad peaks centered at 1317 cm(-1) and 1582 cm(-1) are identified as the characteristic frequencies of the C2O52- species. The measured characteristic Raman frequencies of C2O52- are in excellent agreement with the DFT-model consisting of six overlapping individual theoretical bands calculated from Li2C2O5 and Na2C2O5.
C1 [Zhang, Lingling; Huang, Xinyu; Gong, Yunhui; Wang, Siwei; Huang, Kevin] Univ S Carolina, Dept Mech Engn, Columbia, SC 29201 USA.
[Qin, Changyong] Benedict Coll, Dept Biol Chem & Environm Hlth Sci, Columbia, SC 29204 USA.
[Brinkman, Kyle] Savannah River Natl Lab, Aiken, SC 29808 USA.
RP Huang, K (reprint author), Univ S Carolina, Dept Mech Engn, Columbia, SC 29201 USA.
EM kevin.huang@sc.edu
RI Wang, Siwei/A-9048-2012; Qin, Changyong/F-5753-2016;
OI Qin, Changyong/0000-0003-2717-3131; Brinkman, Kyle/0000-0002-2219-1253
FU U.S. Army Research Laboratory; U.S. Army Research Office
[W911NF-10-R-006]
FX This work is supported by the U.S. Army Research Laboratory and the U.S.
Army Research Office under grant number W911NF-10-R-006.
NR 53
TC 11
Z9 11
U1 3
U2 19
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 31
BP 13147
EP 13152
DI 10.1039/c3cp52362d
PG 6
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 185GF
UT WOS:000321954200042
PM 23824146
ER
PT J
AU Mehta, VK
Aslam, O
Dale, L
Miller, N
Purkey, DR
AF Mehta, Vishal K.
Aslam, Omar
Dale, Larry
Miller, Norman
Purkey, David R.
TI Scenario-based water resources planning for utilities in the Lake
Victoria region
SO PHYSICS AND CHEMISTRY OF THE EARTH
LA English
DT Article
DE Lake Victoria; Utilities; Climate change; Water resources; Planning;
WEAP
ID DECISION-SUPPORT-SYSTEM; SACRAMENTO VALLEY; MANAGEMENT; IMPACTS; BASIN
AB Urban areas in the Lake Victoria (LV) region are experiencing the highest growth rates in Africa. As efforts to meet increasing demand accelerate, integrated water resources management (IWRM) tools provide opportunities for utilities and other stakeholders to develop a planning framework comprehensive enough to include short term (e.g. landuse change), as well as longer term (e.g. climate change) scenarios. This paper presents IWRM models built using the Water Evaluation And Planning (WEAP) decision support system, for three towns in the LV region - Bukoba (Tanzania), Masaka (Uganda), and Kisii (Kenya). Each model was calibrated under current system performance based on site visits, utility reporting and interviews. Projected water supply, demand, revenues and costs were then evaluated against a combination of climate, demographic and infrastructure scenarios up to 2050. Our results show that water supply in all three towns is currently infrastructure limited; achieving existing design capacity could meet most projected demand until 2020s in Masaka beyond which new supply and conservation strategies would be needed. In Bukoba, reducing leakages would provide little performance improvement in the short-term, but doubling capacity would meet all demands until 2050. In Kisii, major infrastructure investment is urgently needed. In Masaka, streamflow simulations show that wetland sources could satisfy all demand until 2050, but at the cost of almost no water downstream of the intake. These models demonstrate the value of IWRM tools for developing water management plans that integrate hydroclimatology-driven supply to demand projections on a single platform. (c) 2013 Elsevier Ltd. All rights reserved.
C1 [Mehta, Vishal K.; Purkey, David R.] Stockholm Environm Inst US, Davis, CA 95616 USA.
[Aslam, Omar; Dale, Larry; Miller, Norman] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Mehta, Vishal K.; Aslam, Omar; Dale, Larry; Miller, Norman; Purkey, David R.] Univ Calif Berkeley, Dept Geog, Berkeley, CA 94720 USA.
RP Mehta, VK (reprint author), Stockholm Environm Inst US, 400 F St, Davis, CA 95616 USA.
EM vishal.mehta@sei-us.org; oaslam@lbl.gov; lldale@lbl.gov;
nlmiller@lbl.gov; vishal.mehta@sei-us.org
FU UN-Habitat
FX Financial support from UN-Habitat is greatfully acknowledged. The
authors would like to thank all the utility staff of NWSC, KWS and
BUWASA, and project partners Alliance to Save Energy (ASE), Re Solve and
ClimateXL.
NR 25
TC 1
Z9 1
U1 1
U2 25
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1474-7065
J9 PHYS CHEM EARTH
JI Phys. Chem. Earth
PY 2013
VL 61-62
BP 22
EP 31
DI 10.1016/j.pce.2013.02.007
PG 10
WC Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences;
Water Resources
SC Geology; Meteorology & Atmospheric Sciences; Water Resources
GA 193JX
UT WOS:000322557200003
ER
PT S
AU Cole, DR
Ok, S
Phan, A
Rother, G
Striolo, A
Vlcek, L
AF Cole, D. R.
Ok, Salim
Phan, A.
Rother, G.
Striolo, A.
Vlcek, L.
BE Hellmann, R
Pitsch, H
TI Carbon-bearing fluids at nanoscale interfaces
SO PROCEEDINGS OF THE FOURTEENTH INTERNATIONAL SYMPOSIUM ON WATER-ROCK
INTERACTION, WRI 14
SE Procedia Earth and Planetary Science
LA English
DT Proceedings Paper
CT 14th International Symposium on Water-Rock Interaction (WRI)
CY JUN 09-14, 2013
CL Avignon, FRANCE
SP Int Assoc Geochemistry, Int Assoc Geochemistry (IAGC), Water Rock Interact Working Grp, French Geol Survey (BRGM), French Alternat Energy & Atom Energy Commiss, French Inst Radioprotect & Nucl Safety (IRSN), US Army Engineer Res & Dev Ctr
DE carbon-bearing fluids; nanoscale interfaces; nanopores; neutron
scattering; molecular dynamics
ID NEUTRON-SCATTERING; CO2
AB The behaviour of fluids at mineral surfaces or in confined geometries (pores, fractures) typically differs from their bulk behaviour in many ways due to the effects of large internal surfaces and geometrical confinement. We summarize research performed on C-O-H fluids at nanoscale interfaces in materials of interest to the earth and material sciences (e.g., silica, alumina, zeolites, clays, rocks, etc.), emphasizing those techniques that assess microstructural modification and/or dynamical behaviour such as gravimetric analysis, small-angle (SANS) neutron scattering, and nuclear magnetic resonance (NMR). Molecular dynamics (MD) simulations will be described that provide atomistic characterization of interfacial and confined fluid behaviour as well as aid in the interpretation of the neutron scattering results. (C) 2013 The Authors. Published by Elsevier B.V. Selection and/or peer-review under responsibility of Organizing and Scientific Committee of WRI 14 - 2013
C1 [Cole, D. R.; Ok, Salim] Ohio State Univ, Columbus, OH 43210 USA.
[Rother, G.; Vlcek, L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Phan, A.; Striolo, A.] Univ Oklahoma, Norman, OK 73019 USA.
RP Cole, DR (reprint author), Ohio State Univ, Columbus, OH 43210 USA.
RI Rother, Gernot/B-7281-2008; Vlcek, Lukas/N-7090-2013
OI Rother, Gernot/0000-0003-4921-6294; Vlcek, Lukas/0000-0003-4782-7702
FU Dept. of Energy Office; Basic Energy Sciences, Geosciences Program; Deep
Carbon Observatory through Sloan Foundation; DOE BES EFRC Nanoscale
Control of Geologic CO2
FX Support for DRC, SO, AP and AS comes from the Dept. of Energy Office,
Basic Energy Sciences, Geosciences Program and the Deep Carbon
Observatory through a grant from the A.P. Sloan Foundation.Support for
GR and VC comes from the DOE BES EFRC Nanoscale Control of Geologic CO2.
NR 8
TC 3
Z9 3
U1 0
U2 15
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1878-5220
J9 PROCED EARTH PLAN SC
PY 2013
VL 7
BP 175
EP 178
DI 10.1016/j.proeps.2013.03.226
PG 4
WC Geosciences, Multidisciplinary
SC Geology
GA BFW45
UT WOS:000321664000043
ER
PT S
AU Evans, WC
Hurwitz, S
Bergfeld, D
Lewicki, J
Huebner, MA
Williams, CF
Brown, ST
AF Evans, W. C.
Hurwitz, S.
Bergfeld, D.
Lewicki, J.
Huebner, M. A.
Williams, C. F.
Brown, S. T.
BE Hellmann, R
Pitsch, H
TI Water-rock interaction in the Long Valley Caldera (USA)
SO PROCEEDINGS OF THE FOURTEENTH INTERNATIONAL SYMPOSIUM ON WATER-ROCK
INTERACTION, WRI 14
SE Procedia Earth and Planetary Science
LA English
DT Proceedings Paper
CT 14th International Symposium on Water-Rock Interaction (WRI)
CY JUN 09-14, 2013
CL Avignon, FRANCE
SP Int Assoc Geochemistry, Int Assoc Geochemistry (IAGC), Water Rock Interact Working Grp, French Geol Survey (BRGM), French Alternat Energy & Atom Energy Commiss, French Inst Radioprotect & Nucl Safety (IRSN), US Army Engineer Res & Dev Ctr
DE Long Valley; geothermal; geothermometry; carbon dioxide
ID HYDROTHERMAL SYSTEM; CALIFORNIA
AB Water-rock interactions within the main thermal aquifer in the Long Valley Caldera are evaluated using water chemistry data from a new suite of samples. The results reflect the impact of increased geothermal production and major CO2 loss, which appears to drive calcite precipitation in the aquifer. The study provides qualitative information on the rates of mineral reactions and the response times of chemical geothermometers to declining temperatures. (C) 2012 The Authors. Published by Elsevier B. V. Selection and/or peer-review under responsibility of Organizing and Scientific Committee of WRI 14 - 2013
C1 [Evans, W. C.; Hurwitz, S.; Bergfeld, D.; Lewicki, J.; Huebner, M. A.; Williams, C. F.] US Geol Survey, 345 Middlefield Rd, Menlo Pk, CA 94025 USA.
[Brown, S. T.] Lawrence Berkeley Natl Lab, Berkeley, CA USA.
RP Evans, WC (reprint author), US Geol Survey, 345 Middlefield Rd, Menlo Pk, CA 94025 USA.
EM wcevans@usgs.gov
NR 8
TC 1
Z9 1
U1 0
U2 6
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1878-5220
J9 PROCED EARTH PLAN SC
PY 2013
VL 7
BP 252
EP 255
DI 10.1016/j.proeps.2013.03.186
PG 4
WC Geosciences, Multidisciplinary
SC Geology
GA BFW45
UT WOS:000321664000062
ER
PT S
AU Icenhower, JP
Saldi, GD
Knauss, KG
AF Icenhower, Jonathan P.
Saldi, Giuseppe D.
Knauss, Kevin G.
BE Hellmann, R
Pitsch, H
TI Contrasts in the geochemical behavior of carbonate and siliciclastic
rocks during carbon storage and sequestration
SO PROCEEDINGS OF THE FOURTEENTH INTERNATIONAL SYMPOSIUM ON WATER-ROCK
INTERACTION, WRI 14
SE Procedia Earth and Plantetary Science
LA English
DT Proceedings Paper
CT 14th International Symposium on Water-Rock Interaction (WRI)
CY JUN 09-14, 2013
CL Avignon, FRANCE
SP Int Assoc Geochemistry, Int Assoc Geochemistry (IAGC), Water Rock Interact Working Grp, French Geol Survey (BRGM), French Alternat Energies & Atom Energy Commiss (CEA), French Inst Radioprotect & Nucl Safety (IRSN), US Army Engineer Res & Dev Ctr
DE carbon sequestration; experimental geochemistry; dissolution
ID DIOXIDE; FLUID; GAS; CO2
AB In order to better understand the geochemical behavior of carbonate and siliciclastic materials that may host carbon dioxide in the subsurface, we carried out experiments using a dolostone from the Weyburn formation and an arkosic sandstone from the Newark Basin. Synthetic brine (0.7 m NaCl) saturated with CO2 with or without CH4 reacted with the powdered materials for 30 to 60 days at 100 bars pressure and 50 - 150 degrees C. The reactivity of the material was monitored by release of elements from the rock to solution over time. A subset of experiments were carried out in which an acidic heavy metals solution was injected into a Weyburn experiment in order to simulate the release of metals to solution through injection of CO2-saturated brines. The results show that the heavy metals do not stay in solution and rapidly decrease in concentration to pre-injection levels after a few days' time. (C) 2012 The Authors. Published by Elsevier B.V.
C1 [Icenhower, Jonathan P.; Saldi, Giuseppe D.; Knauss, Kevin G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Icenhower, JP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,Bldg 74, Berkeley, CA 94720 USA.
EM jpicenhower@lbl.gov
NR 6
TC 0
Z9 0
U1 4
U2 9
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1878-5220
J9 PROCED EARTH PLAN SC
PY 2013
VL 7
BP 377
EP 380
DI 10.1016/j.proeps.2013.03.150
PG 4
WC Geosciences, Multidisciplinary
SC Geology
GA BFW45
UT WOS:000321664000092
ER
PT S
AU Peiffer, L
Wanner, C
Spycher, N
Sonnenthal, E
Kennedy, BM
AF Peiffer, L.
Wanner, C.
Spycher, N.
Sonnenthal, E.
Kennedy, B. M.
BE Hellmann, R
Pitsch, H
TI Multicomponent vs. classical geothermometry: an evaluation using
reactive transport modeling
SO PROCEEDINGS OF THE FOURTEENTH INTERNATIONAL SYMPOSIUM ON WATER-ROCK
INTERACTION, WRI 14
SE Procedia Earth and Plantetary Science
LA English
DT Proceedings Paper
CT 14th International Symposium on Water-Rock Interaction (WRI)
CY JUN 09-14, 2013
CL Avignon, FRANCE
SP Int Assoc Geochemistry, Int Assoc Geochemistry (IAGC), Water Rock Interact Working Grp, French Geol Survey (BRGM), French Alternat Energies & Atom Energy Commiss (CEA), French Inst Radioprotect & Nucl Safety (IRSN), US Army Engineer Res & Dev Ctr
DE geothermometer; geothermal exploration; reactive transport;
multicomponent; modeling
ID MINERAL EQUILIBRIA; WATERS
AB Reactive transport simulations were used to examine the chemical evolution of deep geothermal fluids as they ascend to the surface, and to assess constraints on the application of solute geothermometers. Al and Mg concentrations of deep fluids are sensitive to precipitation-dissolution processes, affecting reservoir temperatures estimated with multicomponent geothermometry. The concentrations of major elements such as Na, K, and SiO2 are less sensitive to reequilibration, and thus geothermometers based on these elements are often reliable, but fail when dilution or mixing with saline waters occurs. For these cases, multicomponent geothermometry coupled with optimization provides a more reliable approach to reconstruct the fluid composition at depth and estimate reservoir temperatures. (C) 2012 The Authors. Published by Elsevier B.V. Selection and/or peer-review under responsibility of Organizing and Scientific Committee of WRI 14 - 2013.
C1 [Peiffer, L.; Wanner, C.; Spycher, N.; Sonnenthal, E.; Kennedy, B. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Peiffer, L (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM lpeiffer@lbl.gov
NR 10
TC 0
Z9 0
U1 0
U2 3
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1878-5220
J9 PROCED EARTH PLAN SC
PY 2013
VL 7
BP 665
EP 668
DI 10.1016/j.proeps.2013.03.103
PG 4
WC Geosciences, Multidisciplinary
SC Geology
GA BFW45
UT WOS:000321664000162
ER
PT S
AU Um, W
Wang, GH
Serne, RJ
AF Um, Wooyong
Wang, Guohui
Serne, R. Jeffrey
BE Hellmann, R
Pitsch, H
TI The effects of secondary mineral precipitates on Sr-90 mobility at the
Hanford Site, USA
SO PROCEEDINGS OF THE FOURTEENTH INTERNATIONAL SYMPOSIUM ON WATER-ROCK
INTERACTION, WRI 14
SE Procedia Earth and Plantetary Science
LA English
DT Proceedings Paper
CT 14th International Symposium on Water-Rock Interaction (WRI)
CY JUN 09-14, 2013
CL Avignon, FRANCE
SP Int Assoc Geochemistry, Int Assoc Geochemistry (IAGC), Water Rock Interact Working Grp, French Geol Survey (BRGM), French Alternat Energies & Atom Energy Commiss (CEA), French Inst Radioprotect & Nucl Safety (IRSN), US Army Engineer Res & Dev Ctr
DE radioactive strontium; secondary precipitate; retardation; colloids;
Hanford site
AB The effects of secondary precipitates on Sr-90 transport at the Hanford Site were investigated using quartz column experiments with simulated caustic tank waste leachates (STWL). Significantly enhanced retardation of Sr transport was observed in the column contacted with STWL due to Sr sorption and co-precipitation with neo-formed nitrate-cancrinite. However, the column results also suggest that neo-formed secondary precipitates could behave like native mobile colloids that can enhance Sr transport. Initially immobilized Sr within secondary precipitates could remobilize given a change in the porewater background conditions. The mobility of the neo-formed Sr-bearing precipitates increased with increased solution flow rate. In the field, porewater contents and flow rates can be changed by snowmelt (or storm water) events or artificial infiltration. The increased porewater flow rate caused by these events could affect the mobility of Sr-90-containing secondary precipitates, which can be a potential source for facilitated Sr transport in Hanford Site subsurface environments. (C) 2013 The Authors. Published by Elsevier B. V. Selection and/or peer-review under responsibility of the Organizing and Scientific Committee of WRI 14-2013
C1 [Um, Wooyong; Wang, Guohui; Serne, R. Jeffrey] Pacific NW Natl Lab, Richland, WA 99354 USA.
RP Um, W (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,MSIN P7-54, Richland, WA 99354 USA.
EM wooyong.um@pnnl.gov
NR 0
TC 0
Z9 0
U1 1
U2 2
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1878-5220
J9 PROCED EARTH PLAN SC
PY 2013
VL 7
BP 855
EP 858
DI 10.1016/j.proeps.2013.03.032
PG 4
WC Geosciences, Multidisciplinary
SC Geology
GA BFW45
UT WOS:000321664000209
ER
PT S
AU Wanner, C
Peiffer, L
Sonnenthal, E
Spycher, N
Iovenitti, J
Kennedy, BM
AF Wanner, Christoph
Peiffer, Loic
Sonnenthal, Eric
Spycher, Nicolas
Iovenitti, Joe
Kennedy, Burton M.
BE Hellmann, R
Pitsch, H
TI On the use of chemical geothermometry: A reactive transport modeling
study of the Dixie Valley geothermal area
SO PROCEEDINGS OF THE FOURTEENTH INTERNATIONAL SYMPOSIUM ON WATER-ROCK
INTERACTION, WRI 14
SE Procedia Earth and Planetary Science
LA English
DT Proceedings Paper
CT 14th International Symposium on Water-Rock Interaction (WRI)
CY JUN 09-14, 2013
CL Avignon, FRANCE
SP Int Assoc Geochemistry, Int Assoc Geochemistry (IAGC), Water Rock Interact Working Grp, French Geol Survey (BRGM), French Alternat Energy & Atom Energy Commiss, French Inst Radioprotect & Nucl Safety (IRSN), US Army Engineer Res & Dev Ctr
DE geothermal systems; geothermometry; reactive transport modeling; Dixie
Valley; geothermal exploration
ID WATERS
AB A 2D reactive transport model of the Dixie Valley geothermal field in Nevada, USA was developed to assess the conditions under which chemical geothermometers operate as powerful exploration tools. Model concentrations read out at the surface were processed by multicomponent geothermometry to compare inferred reservoir temperatures with true reservoir temperatures of the model. Varying reactive fracture surface areas revealed that re-equilibration does not occur if the effective fracture surface area is 1-3 orders of magnitude lower than the corresponding geometric surface area. Moreover, it could be shown that a full re-equilibration is hindered if the fluid velocity within a fracture is on the order of 1 m/day. It was concluded that such upflow rates and relatively low reactive fracture surface areas are likely occurring at a wide series of geothermal fields, confirming that geothermometers can be used as powerful geochemical exploration tools. (C) 2013 The Authors. Published by Elsevier B.V.
C1 [Wanner, Christoph; Peiffer, Loic; Sonnenthal, Eric; Spycher, Nicolas; Kennedy, Burton M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Sci Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Iovenitti, Joe] AltaRockEnergy Inc, Sausalito, CA USA.
RP Wanner, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Sci Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM cwanner@lbl.gov
FU U.S. Department of Energy; Geothermal Technologies Program, Energy
Efficiency and Renewable Energy Office [DE-EE0002765, DE-AC02-05CH11231]
FX This work was supported by the U.S. Department of Energy, Geothermal
Technologies Program, Energy Efficiency and Renewable Energy Office,
Award No DE-EE0002765 and DE-AC02-05CH11231.
NR 9
TC 0
Z9 0
U1 0
U2 1
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1878-5220
J9 PROCED EARTH PLAN SC
PY 2013
VL 7
BP 884
EP 887
DI 10.1016/j.proeps.2013.03.107
PG 4
WC Geosciences, Multidisciplinary
SC Geology
GA BFW45
UT WOS:000321664000216
ER
PT S
AU Lund, KR
Lynn, KG
Weber, MH
Okuniewski, MA
AF Lund, K. R.
Lynn, K. G.
Weber, M. H.
Okuniewski, M. A.
BE Alam, A
Coleman, P
Dugdale, S
Roussenova, M
TI Vacancy Formation Enthalpy in Polycrystalline Depleted Uranium
SO 16TH INTERNATIONAL CONFERENCE ON POSITRON ANNIHILATION (ICPA-16)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 16th International Conference on Positron Annihilation (ICPA)
CY AUG 19-24, 2012
CL Univ Bristol, H H Wills Phys Lab, Bristol, ENGLAND
SP Ortech, Canberra, Univ Bristol
HO Univ Bristol, H H Wills Phys Lab
ID POSITRON-ANNIHILATION; SPECTROSCOPY
AB Positron Annihilation Spectroscopy was performed as a function of temperature and beam energy on polycrystalline depleted uranium (DU) foil. Samples were run with varying heat profiles all starting at room temperature. While collecting Doppler-Broadening data, the temperature of the sample was cycled several times. The first heat cycle shows an increasing S-parameter near temperatures of 400K to 500K much lower than the first phase transition of 941K indicating increasing vacancies possibly due to oxygen diffusion from the bulk to the surface. Vacancy formation enthalpies were calculated fitting a model to the data to be 1.6 +/- 0.16 eV. Results are compared to previous work [3,4].
C1 [Lund, K. R.; Lynn, K. G.; Weber, M. H.] Washington State Univ, Ctr Mat Res, Pullman, WA 99164 USA.
[Okuniewski, M. A.] Idaho Natl Lab, Idaho Falls, ID USA.
RP Lund, KR (reprint author), Washington State Univ, Ctr Mat Res, Pullman, WA 99164 USA.
EM kasey.lund@email.wsu.edu
FU Idaho National Laboratory [00014002]
FX We would like to acknowledge Idaho National Laboratory for funding under
contract number 00014002, as well as Narendra Parmar and Ryan Stewart
for their discussions and help in the lab.
NR 8
TC 3
Z9 3
U1 1
U2 4
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 443
AR 012021
DI 10.1088/1742-6596/443/1/012021
PG 4
WC Physics, Atomic, Molecular & Chemical; Physics, Nuclear; Physics,
Particles & Fields
SC Physics
GA BFX12
UT WOS:000321739400021
ER
PT S
AU Patil, K
Sellaiyan, S
Rajkhowa, R
Tsuzuki, T
Lin, T
Smith, SV
Wang, X
Uedono, A
AF Patil, K.
Sellaiyan, S.
Rajkhowa, R.
Tsuzuki, T.
Lin, T.
Smith, S. V.
Wang, X.
Uedono, A.
BE Alam, A
Coleman, P
Dugdale, S
Roussenova, M
TI Positron annihilation lifetime spectroscopy of mechanically milled
protein fibre powders and their free volume aspects
SO 16TH INTERNATIONAL CONFERENCE ON POSITRON ANNIHILATION (ICPA-16)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 16th International Conference on Positron Annihilation (ICPA)
CY AUG 19-24, 2012
CL Univ Bristol, H H Wills Phys Lab, Bristol, ENGLAND
SP Ortech, Canberra, Univ Bristol
HO Univ Bristol, H H Wills Phys Lab
ID POLYMERS
AB The present study reports the fabrication of ultra-fine powders from animal protein fibres such as cashmere guard hair, merino wool and eri silk along with their free volume aspects. The respectively mechanically cleaned, scoured and degummed cashmere guard hair, wool and silk fibres were converted into dry powders by a process sequence: Chopping, Attritor Milling, and Spray Drying. The fabricated protein fibre powders were characterised by scanning electron microscope, particle size distribution and positron annihilation lifetime spectroscopy (PALS). The PALS results indicated that the average free volume size in protein fibres increased on their wet mechanical milling with a decrease in the corresponding intensities leading to a resultant decrease in their fractional free volumes.
C1 [Patil, K.; Rajkhowa, R.; Tsuzuki, T.; Lin, T.; Wang, X.] Deakin Univ, Inst Frontier Mat, Geelong, Vic 3217, Australia.
[Sellaiyan, S.] Australian Nucl Sci & Technol Org, Ctr Excellence Antimatter Matter Studies, Kirrawee 2232, Australia.
[Sellaiyan, S.] Australian Natl Univ, Ctr Excellence Antimatter Matter Studies, Res Sch Phys & Engn, Canberra, ACT 0200, Australia.
[Sellaiyan, S.] Univ Tsukuba, Tandem Accelerator Complex, Ibaraki 3058577, Japan.
[Smith, S. V.] Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA.
[Uedono, A.] Univ Tsukuba, Fac Pure & Appl Sci, Div Appl Phys, Tsukuba, Ibaraki 3058573, Japan.
RP Patil, K (reprint author), Deakin Univ, Inst Frontier Mat, Geelong, Vic 3217, Australia.
EM selva2d@yahoo.co.in
RI Lin, Tong/A-3505-2008; Tsuzuki, Takuya/A-7058-2009
OI Lin, Tong/0000-0002-1003-0671; Tsuzuki, Takuya/0000-0002-2002-3758
FU Australian Research Council [1094979]
FX Financial support from Australian Research Council (DP 1094979) is
acknowledged.
NR 13
TC 0
Z9 0
U1 0
U2 3
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 443
AR 012054
DI 10.1088/1742-6596/443/1/012054
PG 4
WC Physics, Atomic, Molecular & Chemical; Physics, Nuclear; Physics,
Particles & Fields
SC Physics
GA BFX12
UT WOS:000321739400054
ER
PT B
AU Abdollahy, S
Mammoli, A
Cheng, F
Ellis, A
Johnson, J
AF Abdollahy, S.
Mammoli, A.
Cheng, F.
Ellis, A.
Johnson, J.
GP IEEE
TI Distributed Compensation of a Large Intermittent Energy Resource in a
Distribution Feeder
SO 2013 IEEE PES INNOVATIVE SMART GRID TECHNOLOGIES (ISGT)
LA English
DT Proceedings Paper
CT Conference of the IEEE PES on Innovative Smart Grid Technologies (ISGT)
CY FEB 24-27, 2013
CL Washington, DC
SP IEEE PES
DE distributed energy resources(DER); microgrid; Demand-Response(DR); State
of Charge(SoC)
AB In a smart grid demonstration project in New Mexico, a combination of a 500kW PV farm and a 1MWh utility scale storage system which consists of a 500kW ultra fast smoothing battery and a 250kW shifting battery are installed. At a nearby location, a micro grid demonstration which incorporates a 240kW natural gas-powered generator, a 80kW fuel cell, a 50kW PV generator, a lead-acid battery storage system, and hot and cold thermal storage is installed.
With the current configuration, the storage system associated with the 500kW PV is able to smooth PV output, to shift the peak generation to the time of peak consumption and also to firm the PV resource as a fixed amount of power. The problem is how the system would be managed in presence of several distributed resources with different ramp rates and capacities and different operation costs, which would reduce the stress placed on the battery.
In this paper, the results of the different studies on the system model are discussed. A complete feeder model in GridLAB-D is used to demonstrate several control algorithms. In one scenario, all other available generations are planned to compensate the PV generation ramp rate based on their individual capacity. Each agent will compensate the ramp rate of the total generation of the higher priority agents based on its own capacity. In another scenario, individual agents try to compensate the deficit in power generation scheduled for the whole system. Every particular agent is responsible for compensating the difference between the scheduled and the total generation of the higher priority agents.
C1 [Abdollahy, S.; Cheng, F.] Univ New Mexico, Dept Elect & Comp Engn, Albuquerque, NM 87131 USA.
[Mammoli, A.] Univ New Mexico, Mech Engn Dept, Albuquerque, NM USA.
[Johnson, J.] Sandia Natl Labs, Albuquerque, NM USA.
RP Abdollahy, S (reprint author), Univ New Mexico, Dept Elect & Comp Engn, Albuquerque, NM 87131 USA.
EM shahinab@unm.edu
FU Department of Energy [DE-OE0000230, EPRI P.A. EP_P32412/C15054]
FX This material is based upon work supported partially by the Department
of Energy under award number DE-OE0000230 and EPRI P.A. EP_P32412/C15054
.
NR 4
TC 0
Z9 0
U1 0
U2 0
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
BN 978-1-4673-4896-6; 978-1-4673-4894-2
PY 2013
PG 6
WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BFM26
UT WOS:000320500800122
ER
PT J
AU Kirkham, H
AF Kirkham, H.
GP IEEE
TI The Digital Revolution in Measurements
SO 2013 IEEE PES INNOVATIVE SMART GRID TECHNOLOGIES (ISGT)
LA English
DT Proceedings Paper
CT Conference of the IEEE PES on Innovative Smart Grid Technologies (ISGT)
CY FEB 24-27, 2013
CL Washington, DC
SP IEEE PES
DE Measurements; digital measurements; abstraction; data compression;
measurand definition
AB This paper considers what it means to make a measurement, and the changes in measurement technology over the years. The impact of the latest changes, which have resulted in most electrical measurements being done digitally, is explored. It is argued that the process of measurement can be considered equivalent to one of data compression. The smart grid will certainly result in many more signals being made available, and therefore a great deal of data compression will be taking place. Measurements will be made in parts of the power system presently unmonitored, as well as parts that are already well covered by instrumentation. The smart grid engineer must decide what it means to have "useful" information. Unless care is taken, the signal processing may furnish information that is not useful, and may not even make sense. The paper concludes by examining the possibilities of data compression from multiple separate signals.
C1 Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Kirkham, H (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM Harold.Kirklham@pnnl.gov
NR 10
TC 0
Z9 0
U1 0
U2 1
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
BN 978-1-4673-4896-6
PY 2013
PG 6
WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BFM26
UT WOS:000320500800086
ER
PT J
AU Kirkham, H
Marinovici, C
AF Kirkham, Harold
Marinovici, Cristina
GP IEEE
TI Technology Readiness and the Smart Grid
SO 2013 IEEE PES INNOVATIVE SMART GRID TECHNOLOGIES (ISGT)
LA English
DT Proceedings Paper
CT Conference of the IEEE PES on Innovative Smart Grid Technologies (ISGT)
CY FEB 24-27, 2013
CL Washington, DC
SP IEEE PES
DE smart grid; standards; technology readiness; TRL; SGL
AB Technology Readiness Levels (TRLs) originated as a way for the National Aeronautics and Space Administration (NASA) to monitor the development of systems being readied for space. The technique has found wide application as part of the more general topic of system engineering. In this paper, we consider the applicability of TRLs to systems being readied for the smart grid. We find that there are many useful parallels, and much to be gained by this application. However, TRLs were designed for a developer who was also a user. That is not usually the case for smart grid developments. We consider the matter from the point of view of the company responsible for implementation, typically a utility, and we find that there is a need for connecting the many standards in the industry. That connection is explored, and some new considerations are introduced.
C1 [Kirkham, Harold; Marinovici, Cristina] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Kirkham, H (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM harold.kirkham@pnnl.gov; cristina_marinovici@pnnl.gov
NR 14
TC 0
Z9 0
U1 0
U2 6
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
BN 978-1-4673-4896-6
PY 2013
PG 6
WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BFM26
UT WOS:000320500800019
ER
PT J
AU MacDonald, D
Clements, SL
Patrick, SW
Perkins, C
Muller, G
Lancaster, MJ
Hutton, W
AF MacDonald, Doug
Clements, Samuel L.
Patrick, Scott W.
Perkins, Casey
Muller, George
Lancaster, Mary J.
Hutton, Will
GP IEEE
TI Cyber/Physical Security Vulnerability Assessment Integration
SO 2013 IEEE PES INNOVATIVE SMART GRID TECHNOLOGIES (ISGT)
LA English
DT Proceedings Paper
CT Conference of the IEEE PES on Innovative Smart Grid Technologies (ISGT)
CY FEB 24-27, 2013
CL Washington, DC
SP IEEE PES
DE Risk analysis; Security; Modeling; Simulation; Power Industry
AB Securing high value and critical assets is one of the biggest challenges facing this nation and others around the world. In modern integrated systems, there are four potential modes of attack available to an adversary:
physical only attack,
cyber only attack,
physical-enabled cyber attack,
cyber-enabled physical attack.
Blended attacks involve an adversary working in one domain to reduce system effectiveness in another domain. This enables the attacker to penetrate further into the overall layered defenses.
Existing vulnerability assessment (VA) processes and software tools which predict facility vulnerabilities typically evaluate the physical and cyber domains separately. Vulnerabilities which result from the integration of cyber-physical control systems are not well characterized and are often overlooked by existing assessment approaches.
In this paper, we modified modification of the timely detection methodology, used for decades in physical security VAs, to include cyber components. The Physical and Cyber Risk Analysis Tool (PACRAT) prototype illustrates an integrated vulnerability assessment that includes cyber-physical interdependencies. Information about facility layout, network topology, and emplaced safeguards is used to evaluate how well suited a facility is to detect, delay, and respond to attacks, to identify the pathways most vulnerable to attack, and to evaluate how often safeguards are compromised for a given threat or adversary type. We have tested the PACRAT prototype on critical infrastructure facilities and the results are promising. Future work includes extending the model to prescribe the recommended security improvements via an automated cost-benefit analysis.
C1 [MacDonald, Doug; Clements, Samuel L.; Patrick, Scott W.; Perkins, Casey; Muller, George; Lancaster, Mary J.; Hutton, Will] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP MacDonald, D (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
NR 5
TC 0
Z9 0
U1 1
U2 4
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
BN 978-1-4673-4896-6
PY 2013
PG 6
WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BFM26
UT WOS:000320500800094
ER
PT B
AU Marinovici, MC
Kirkham, H
Glass, KA
Carlsen, LC
AF Marinovici, M. C.
Kirkham, H.
Glass, K. A.
Carlsen, L. C.
GP IEEE
TI Modeling Power System Operation with Intermittent Resources
SO 2013 IEEE PES INNOVATIVE SMART GRID TECHNOLOGIES (ISGT)
LA English
DT Proceedings Paper
CT Conference of the IEEE PES on Innovative Smart Grid Technologies (ISGT)
CY FEB 24-27, 2013
CL Washington, DC
SP IEEE PES
DE economic dispatch; load following; multi objective optimization problem;
renewable energies; unit commitment
AB Electricity generating companies and power system operators face the need to minimize total fuel cost and maximize total profit over a given time period. These issues become optimization problems subject to a large number of constraints that must be satisfied simultaneously. The grid updates due to smart-grid technologies, plus the penetration of intermittent re-sources in electrical grid, introduce additional complexity to the optimization problem. The Renewable Integration Model (RIM) is a computer model of an interconnected power system. It is intended to provide insight and advice on complex power systems management, as well as answers to questions relating to the integration of renewable energy. This paper describes the RIM basic design concept, solution method, and the initial suite of modules that it supports.
C1 [Marinovici, M. C.; Kirkham, H.; Glass, K. A.; Carlsen, L. C.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Marinovici, MC (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM cristina.marinovici@pnnl.gov; harold.kirkham@pnnl.gov;
kevin.glass@pnnl.gov; leif.carlsen@pnnl.gov
NR 6
TC 0
Z9 0
U1 2
U2 2
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
BN 978-1-4673-4896-6; 978-1-4673-4894-2
PY 2013
PG 6
WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BFM26
UT WOS:000320500800053
ER
PT B
AU McKinnon, AD
Thompson, SR
Doroshchuk, RA
Fink, GA
Fulp, EW
AF McKinnon, A. David
Thompson, Seth R.
Doroshchuk, Ruslan A.
Fink, Glenn A.
Fulp, Errin W.
GP IEEE
TI Bio-Inspired Cyber Security for Smart Grid Deployments
SO 2013 IEEE PES INNOVATIVE SMART GRID TECHNOLOGIES (ISGT)
LA English
DT Proceedings Paper
CT Conference of the IEEE PES on Innovative Smart Grid Technologies (ISGT)
CY FEB 24-27, 2013
CL Washington, DC
SP IEEE PES
DE Agents; Bio-inspired; Computer security; Cyber security; Smart Grid;
Smart meters
AB Smart Grid technologies are transforming the electric power system in ways that will significantly impact electric distribution systems and result in greater efficiency. However, the increased scale of the grid and the new types of information it will transmit introduce security risks that cannot be addressed by traditional, centralized security techniques. We propose a scalable approach inspired by the complex-adaptive control systems of social insects, such as ants and bees. These systems emerge from inter-agent communication and the collective application of simple rules. The Digital Ants framework is a bio-inspired framework that uses lightweight, mobile agents. The agents communicate using digital pheromones which enable the agents to alert each other of possible cyber security issues. All communication and coordination is both localized and decentralized thereby allowing the framework to scale across the large numbers of devices that will exist in the Smart Grid. Furthermore, being lightweight makes the agents suitable for implementation on devices with limited computational resources. This paper will provide a brief overview of the Digital Ants framework and then present results from testbed-based demonstrations that show how Digital Ants can identify a cyber security attack scenario against smart meter deployments.
C1 [McKinnon, A. David; Thompson, Seth R.; Doroshchuk, Ruslan A.; Fink, Glenn A.] Pacific Northwest Natl Lab, Secure Cyber Syst Grp, Richland, WA 99352 USA.
[Fulp, Errin W.] Wake Forest Univ, Dept Comp Sci, Winston Salem, NC USA.
RP McKinnon, AD (reprint author), Pacific Northwest Natl Lab, Secure Cyber Syst Grp, Richland, WA 99352 USA.
EM david.mckinnon@pnnl.gov; fulp@wfu.edu
FU U. S. Department of Energy [DEAC0576RL01830]
FX This research was supported, in part, by the U.S. Department of Energy
under U. S. Department of Energy Contract DEAC0576RL01830.
NR 15
TC 0
Z9 0
U1 0
U2 0
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
BN 978-1-4673-4896-6; 978-1-4673-4894-2
PY 2013
PG 6
WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BFM26
UT WOS:000320500800091
ER
PT B
AU Tesfaye, M
Castello, CC
AF Tesfaye, M.
Castello, C. C.
GP IEEE
TI Minimization of Impact from Electric Vehicle Supply Equipment to the
Electric Grid Using a Dynamically Controlled Battery Bank for Peak Load
Shaving
SO 2013 IEEE PES INNOVATIVE SMART GRID TECHNOLOGIES (ISGT)
LA English
DT Proceedings Paper
CT Conference of the IEEE PES on Innovative Smart Grid Technologies (ISGT)
CY FEB 24-27, 2013
CL Washington, DC
SP IEEE PES
DE Battery Management Systems; Control System; Scheduling Algorithm;
Electric Vehicles; Power System Control
AB This research presents a comparison of two control systems for peak load shaving using local solar power generation (i.e., photovoltaic array) and local energy storage (i.e., battery bank). The purpose is to minimize load demand of electric vehicle supply equipment (EVSE) on the electric grid. Static and dynamic control systems are compared to decrease demand from EVSE. Static control of the battery bank is based on charging and discharging to the electric grid at fixed times. Dynamic control, with 15-minute resolution, forecasts EVSE load based on data analysis of collected data. In the proposed dynamic control system, the sigmoid function is used to shave peak loads while limiting scenarios that can quickly drain the battery bank. These control systems are applied to Oak Ridge National Laboratory's (ORNL) solar-assisted electric vehicle (EV) charging stations. This installation is composed of three independently grid-tied sub-systems: (1) 25 EVSE; (2) a 47 kW photovoltaic (PV) array; and (3) a 60 kWh battery bank. The dynamic control system achieved the greatest peak load shaving, up to 34% on a cloudy day and 38% on a sunny day. The static control system was not ideal; peak load shaving was 14.6% on a cloudy day and 12.7% on a sunny day. Simulations based on ORNL data show solar-assisted EV charging stations combined with the proposed dynamic battery control system can negate up to 89% of EVSE load demand on sunny days.
C1 [Tesfaye, M.] Tennessee State Univ, Nashville, TN 37209 USA.
[Castello, C. C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Tesfaye, M (reprint author), Tennessee State Univ, Nashville, TN 37209 USA.
EM mekbibtesfaye@yahoo.com; castellocc@ornl.gov
FU U.S. Department of Energy's (DOE); American Recovery and Reinvestment
Act (ARRA) [DE-EE0002194]; U.S. DOE [DE-ACOS-000R2272S]
FX This work was supported by the U.S. Department of Energy's (DOE)
American Recovery and Reinvestment Act (ARRA) under Grant DE-EE0002194.
Oak Ridge National Laboratory (ORNL) is managed by UT-Battelle, LLC, for
the U.S. DOE under contract DE-ACOS-000R2272S.
NR 9
TC 0
Z9 0
U1 0
U2 2
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
BN 978-1-4673-4896-6; 978-1-4673-4894-2
PY 2013
PG 6
WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BFM26
UT WOS:000320500800029
ER
PT B
AU Ton, D
Biviji, MA
Nagypal, E
Wang, JH
AF Ton, Dan
Biviji, Mustafa A.
Nagypal, Eva
Wang, Jianhui
GP IEEE
TI Tool for Determining Price Elasticity of Electricity Demand and
Designing Dynamic Price Program
SO 2013 IEEE PES INNOVATIVE SMART GRID TECHNOLOGIES (ISGT)
LA English
DT Proceedings Paper
CT Conference of the IEEE PES on Innovative Smart Grid Technologies (ISGT)
CY FEB 24-27, 2013
CL Washington, DC
SP IEEE PES
DE Load Management; Smart Grids; Dynamic Pricing; Electric Utilities
AB A tool has been developed to determine the price elasticity of electricity demand using data from dynamic pricing pilots with time of use and/or critical peak pricing rates. Elasticity values are derived from an augmented Constant Elasticity of Substitution model. Using the calculated elasticity values, the tool can further project changes in electricity loads as a function of electricity prices and temperatures as specified by utilities; conversely, the tool is capable of calculating the pricing structure necessary to achieve utility-defined objectives for peak load reduction and revenue, under a given set of temperatures. Data from the California Statewide Pricing Pilot study was used for tool development and testing. Tool testing was conducted by comparing the loads and shift in loads, calculated from the tool versus observed from the pilot study, resulting in close agreements. Furthermore, use of this tool under three likely scenarios of interest to utilities is presented.
C1 [Ton, Dan] US DOE, Washington, DC 20585 USA.
[Biviji, Mustafa A.] Energy & Environm Resources Grp LLC, Pittsburgh, PA 15237 USA.
[Nagypal, Eva; Wang, Jianhui] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Ton, D (reprint author), US DOE, Washington, DC 20585 USA.
EM dan.ton@hq.doe.gov; mustafa@e2rg.com; enagypal@anl.gov;
jianhui.wang@anl.gov
NR 11
TC 0
Z9 0
U1 0
U2 1
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
BN 978-1-4673-4896-6; 978-1-4673-4894-2
PY 2013
PG 6
WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BFM26
UT WOS:000320500800060
ER
PT J
AU Zhang, Y
Lu, N
AF Zhang, Yu
Lu, Ning
GP IEEE
TI Demand-side Management of Air Conditioning Cooling Loads for Intra-hour
Load Balancing
SO 2013 IEEE PES INNOVATIVE SMART GRID TECHNOLOGIES (ISGT)
LA English
DT Proceedings Paper
CT Conference of the IEEE PES on Innovative Smart Grid Technologies (ISGT)
CY FEB 24-27, 2013
CL Washington, DC
SP IEEE PES
DE demand response; load management; direct load control; thermostatically
controlled appliances; ancillary service; renewable integration; smart
grid; optimal parameter selection
AB This paper evaluates the performance of a centralized load controller designed to provide intra-hour load balancing services (LBSs) using air conditioning (a/c) units in their cooling modes. First, thermal models of a/c units and the control logic of the central controller are presented. The objective is to control the aggregated consumption of the thermostatically controlled appliances (TCAs) to follow a desired load profile for providing LBSs. The simulations are carried out in a MATLAB/Simulink environment. A total of 1000 a/c units in their cooling modes are modeled to provide a realistic +/- 1 MW load balancing signal for 24 hours for baseline settings. The impacts of lockout times, ambient temperatures, heat gains, and two-way communication delays on the demand-side management (DSM) performance are modeled. The cost of communication between the TCAs and the central controller, customer comfort, device life cycles, and control errors are used as metrics to evaluate the DSM performance. The results demonstrate that the DSM controller precisely controls the aggregated heating, ventilating, and air conditioning load shapes while maintaining load diversity. The controllable and the measurable load services that the controller provides can be used for many other demand response applications, such as peak shaving, load shifting, and arbitrage.
C1 [Zhang, Yu; Lu, Ning] Pacific NW Natl Lab, Energy Sci & Technol Div, Richland, WA 99352 USA.
RP Zhang, Y (reprint author), Pacific NW Natl Lab, Energy Sci & Technol Div, Richland, WA 99352 USA.
EM Yu.Zhang@pnnl.gov; ninglu134@gmail.com
NR 14
TC 0
Z9 0
U1 0
U2 0
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
BN 978-1-4673-4896-6
PY 2013
PG 6
WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BFM26
UT WOS:000320500800116
ER
PT S
AU Benner, R
Echeverria, VTE
Onunkwo, U
Patel, J
Zage, D
AF Benner, Robert
Echeverria, Victor T. E.
Onunkwo, Uzoma
Patel, Jay
Zage, David
GP IEEE
TI Harnessing Many-core Processors for Scalable, Highly Efficient, and
Adaptable Firewall Solutions
SO 2013 INTERNATIONAL CONFERENCE ON COMPUTING, NETWORKING AND
COMMUNICATIONS (ICNC)
SE International Conference on Computer Networking and Communications
LA English
DT Proceedings Paper
CT International Conference on Computing, Networking and Communications
(ICNC)
CY JAN 28-31, 2013
CL San Diego, CA
AB Many-core processors have become the mainstay of today's computing systems. This fact and their ease of accessibility is now broadening the horizons of computational advances. In this work, we demonstrate the use of many-core processing platforms to provide scalable, efficient, and easily configurable firewall implementations on many-core processors. Our work has made possible, to the best of our knowledge, a first-known pipelined and scalable implementation of a stateful firewall on many-core processors. We discuss the results of our work and highlight areas for future considerations and improvements. Although this work focuses on the firewall as an exemplar network protection tool, the ideas developed apply to other network processing applications like network intrusion detection systems.
C1 [Benner, Robert; Echeverria, Victor T. E.; Onunkwo, Uzoma; Patel, Jay; Zage, David] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Benner, R (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM rebenne@sandia.gov; vtechev@sandia.gov; uonunkw@sandia.gov;
jaypate@sandia.gov; djzage@sandia.gov
NR 13
TC 0
Z9 0
U1 0
U2 0
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 2325-2626
BN 978-1-4673-0009-4
J9 INT CONF COMPUT NETW
PY 2013
PG 5
WC Computer Science, Hardware & Architecture; Telecommunications
SC Computer Science; Telecommunications
GA BFT23
UT WOS:000321210800119
ER
PT S
AU Dobrovitski, VV
Fuchs, GD
Falk, AL
Santori, C
Awschalom, DD
AF Dobrovitski, V. V.
Fuchs, G. D.
Falk, A. L.
Santori, C.
Awschalom, D. D.
BE Langer, JS
TI Quantum Control over Single Spins in Diamond
SO ANNUAL REVIEW OF CONDENSED MATTER PHYSICS, VOL 4
SE Annual Review of Condensed Matter Physics
LA English
DT Review; Book Chapter
DE nitrogen; vacancy; qubit; information; defect; coherence; diamond
ID SOLID-STATE SPIN; NITROGEN-VACANCY CENTER; N-V CENTER; NUCLEAR-SPIN;
ROOM-TEMPERATURE; NANOSCALE RESOLUTION; ELECTRONIC-STRUCTURE; COHERENT
DYNAMICS; COLOR-CENTERS; FIELD
AB Nitrogen-vacancy (NV) centers in diamond have recently emerged as a unique platform for fundamental studies in quantum information and nanoscience. The special properties of these impurity centers allow robust, room-temperature operation of solid-state qubits and have enabled several remarkable demonstrations in quantum information processing and precision nanoscale sensing. This article reviews the recent advances in magnetic and optical manipulation of the NV center's quantum spin and their importance for prospective applications. We discuss how quantum control of individual centers can be harnessed for the protection of NV-center spin coherence, for multiqubit quantum operations in the presence of decoherence, and for high-fidelity initialization and readout. We also discuss the progress in resonant optical control, which has led to interfaces between spin and photonic qubits and may lead to spin networks based on diamond photonics. Many of these recently developed diamond-based technologies constitute critical components for the future leap toward practical multiqubit devices.
C1 [Dobrovitski, V. V.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
[Fuchs, G. D.] Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY 14853 USA.
[Falk, A. L.; Awschalom, D. D.] Univ Calif Santa Barbara, Ctr Spintron & Quantum Computat, Santa Barbara, CA 93106 USA.
[Santori, C.] Hewlett Packard Labs, Palo Alto, CA 94304 USA.
RP Dobrovitski, VV (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
EM awsch@physics.ucsb.edu
NR 169
TC 43
Z9 43
U1 8
U2 113
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 1947-5454
BN 978-0-8243-5004-8
J9 ANNU REV CONDEN MA P
JI Annu. Rev. Condens. Matter Phys.
PY 2013
VL 4
BP 23
EP 50
DI 10.1146/annurev-conmatphys-030212-184238
PG 28
WC Physics, Condensed Matter
SC Physics
GA BFW64
UT WOS:000321694300003
ER
PT S
AU Maiti, A
AF Maiti, Amitesh
BE Fitzgerald, G
Govind, N
TI Ionic Liquids for Carbon Capture: Solubility Computation Using an
Implicit Solvent Model
SO APPLICATIONS OF MOLECULAR MODELING TO CHALLENGES IN CLEAN ENERGY
SE ACS Symposium Series
LA English
DT Proceedings Paper
CT Symposium on Applications of Computational Methods to Environmentally
Sustainable Solutions at ACS National Spring Meeting
CY MAR 25-29, 2012
CL San Diego, CA
SP ACS, Div Comp Chem
ID PRESSURE PHASE-BEHAVIOR; COSMO-RS; CO2 CAPTURE; BASIS-SETS; DIOXIDE;
PREDICTION; SELECTIVITY; SYSTEMS; ENERGY; GAS
AB Through a large number of solubility measurements over the last decade and a half, Ionic Liquids (ILs) have been demonstrated as a great medium for the physical dissolution of CO2. However, there are numerous possible variations on the component ions of an IL, only a small fraction of which has actually been synthesized so far. In order to screen for the best solvents it is necessary to adopt a theoretical approach that can quickly compute the CO2 solubility with reasonable quantitative accuracy. Here we report a theoretical prescription that involves computing the chemical potential of CO2 in the solvent phase with a density-functional-theory-based implicit solvation code (COSMO-RS) and computing the gas fugacity with a cubic equation of state. The approach yields excellent agreement with a large volume of experimental data on CO2 solubility in diverse classes of ILs over a wide range of temperatures and pressures. The resulting quantitative trends can be used to discover solvents with much higher CO2 uptake per kg of solvent than has been experimentally achieved so far.
C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Maiti, A (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM amaiti@llnl.gov
NR 46
TC 0
Z9 0
U1 1
U2 11
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2820-7
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2013
VL 1133
BP 19
EP 30
PG 12
WC Chemistry, Multidisciplinary; Computer Science, Interdisciplinary
Applications; Energy & Fuels
SC Chemistry; Computer Science; Energy & Fuels
GA BFX60
UT WOS:000321806600002
ER
PT S
AU Yoon, Y
AF Yoon, Yeohoon
BE Fitzgerald, G
Govind, N
TI Characterization of CO2 Behavior on Rutile TiO2 (110) Surface
SO APPLICATIONS OF MOLECULAR MODELING TO CHALLENGES IN CLEAN ENERGY
SE ACS Symposium Series
LA English
DT Proceedings Paper
CT Symposium on Applications of Computational Methods to Environmentally
Sustainable Solutions at ACS National Spring Meeting
CY MAR 25-29, 2012
CL San Diego, CA
SP ACS, Div Comp Chem
ID CARBON-DIOXIDE; MOLECULAR-DYNAMICS; TIO2(110) SURFACE; CHEMISTRY;
DIFFUSION
AB The dynamic behavior of carbon dioxide (CO2) adsorbed on the rutile TiO2 (110) surface is studied by dispersion corrected density functional theory (DFT) and combined ab initio molecular dynamics (AIMD) simulation. Understanding the behavior of CO2 is important regarding possible applications for treating CO2 in current environmental problems along with the consideration as a renewable energy source. Concerning the ability as a reducible support of TiO2 surface, a fundamental understanding of the interaction between CO2 and TiO2 surface will help extending the possible applications. In the current study, CO2 interaction and dynamic behavior on the TiO2 surface is characterized including the effect of the oxygen vacancy (O-v) defect. Also the coverage dependence of CO2 behavior is investigated since more contribution of the intermolecular interaction among CO2 molecules can be expected as the coverage increasing.
C1 Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA.
RP Yoon, Y (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA.
EM yeohoon.yoon@pnnl.gov
RI Yoon, Yeohoon/D-4934-2014
NR 39
TC 0
Z9 0
U1 0
U2 5
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2820-7
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2013
VL 1133
BP 51
EP 66
PG 16
WC Chemistry, Multidisciplinary; Computer Science, Interdisciplinary
Applications; Energy & Fuels
SC Chemistry; Computer Science; Energy & Fuels
GA BFX60
UT WOS:000321806600004
ER
PT S
AU Ho, MH
Chen, ST
Rousseau, R
Dupuis, M
Bullock, RM
Raugei, S
AF Ho, Ming-Hsun
Chen, Shentan
Rousseau, Roger
Dupuis, Michel
Bullock, R. Morris
Raugei, Simone
BE Fitzgerald, G
Govind, N
TI Bio-Inspired Molecular Catalysts for Hydrogen Oxidation and Hydrogen
Production
SO APPLICATIONS OF MOLECULAR MODELING TO CHALLENGES IN CLEAN ENERGY
SE ACS Symposium Series
LA English
DT Proceedings Paper
CT Symposium on Applications of Computational Methods to Environmentally
Sustainable Solutions at ACS National Spring Meeting
CY MAR 25-29, 2012
CL San Diego, CA
SP ACS, Div Comp Chem
ID OUTER-COORDINATION SPHERE; PENDANT NITROGEN BASES; FRUSTRATED LEWIS
PAIRS; H-2 PRODUCTION; IRON HYDROGENASE; CORRELATION-ENERGY;
ACTIVE-SITE; ELECTRON-TRANSFER; COMPLEXES; DENSITY
AB Recent advances in Ni-based bio-inspired catalysts obtained in the Center for Molecular Electrocatalysis, an Energy Frontier Research Center (EFRC) led by the Pacific Northwest National Laboratory, demonstrated the possibility of cleaving H-2 or generating H-2 heterolytically with turnover frequencies comparable or superior to those of hydrogenase enzymes. In these catalysts the transformation between H-2 and protons proceeds via an interplay between proton, hydride and electron transfer steps, and involves the interaction of a dihydrogen molecule with both a Ni(II) center and pendent amine bases incorporated in six-membered rings, which function as proton relays. These catalytic platforms are well designed in that when protons are correctly positioned (endo) toward the metal center, catalysis proceeds at very high rates. We show here that the proton removal from the molecular catalysts (for H-2 oxidation) and proton delivery to the molecular catalysts (for H-2 production) are often the rate-determining steps. Furthermore, the presence of multiple protonation sites gives rise to reaction intermediates with protons incorrectly positioned (exo relative to the metal center). These isomers are kinetically easily accessible and are detrimental to catalysis because the isomerization processes necessary to convert them to the catalytically competent endo isomers are slow. In this chapter we give an overview of the major findings of our computational investigation of proton relays for H-2 chemistry and provide guidelines for the design of catalysts with enhanced activity.
C1 [Ho, Ming-Hsun; Chen, Shentan; Rousseau, Roger; Dupuis, Michel; Bullock, R. Morris; Raugei, Simone] Pacific NW Natl Lab, Ctr Mol Electrocatalysis, Richland, WA 99352 USA.
RP Ho, MH (reprint author), Pacific NW Natl Lab, Ctr Mol Electrocatalysis, POB 999,K1-83, Richland, WA 99352 USA.
EM simone.raugei@pnl.gov
RI Rousseau, Roger/C-3703-2014; Bullock, R. Morris/L-6802-2016
OI Bullock, R. Morris/0000-0001-6306-4851
NR 74
TC 6
Z9 6
U1 0
U2 14
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2820-7
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2013
VL 1133
BP 89
EP 111
PG 23
WC Chemistry, Multidisciplinary; Computer Science, Interdisciplinary
Applications; Energy & Fuels
SC Chemistry; Computer Science; Energy & Fuels
GA BFX60
UT WOS:000321806600006
ER
PT S
AU Ferguson, G
Curtiss, LA
AF Ferguson, Glen
Curtiss, Larry A.
BE Fitzgerald, G
Govind, N
TI Atomic-Level Modeling of Organic Electrolytes in Lithium-Ion Batteries
SO APPLICATIONS OF MOLECULAR MODELING TO CHALLENGES IN CLEAN ENERGY
SE ACS Symposium Series
LA English
DT Proceedings Paper
CT Symposium on Applications of Computational Methods to Environmentally
Sustainable Solutions at ACS National Spring Meeting
CY MAR 25-29, 2012
CL San Diego, CA
SP ACS, Div Comp Chem
ID DENSITY-FUNCTIONAL THEORY; UNDERSTAND SURFACE-CHEMISTRY;
MOLECULAR-DYNAMICS; ETHYLENE CARBONATE; GENETIC ALGORITHM; PROPYLENE
CARBONATE; REDUCTIVE DECOMPOSITIONS; GEOMETRY OPTIMIZATION; POLYMER
ELECTROLYTES; VINYLENE CARBONATE
AB Lithium-ion (Li-ion) batteries are a widely used and important technology. Recent expansion of Li-ion batteries into automotive applications has resulted in intense scientific interest. In Li-ion batteries the multitude of reactions occurring under harsh conditions along with difficulties in characterization have made calculations and simulations an important part of this research. Application of atomic level methods has expanded the knowledge concerning the basic chemistry of the Li-ion battery, especially as applied to electrolytes and their relationship to the solid electrolyte interphase (SET), a key component of many Li-ion batteries. In this chapter we review methods for atomic-level computations and simulations of Li-ion battery electrolytes with a focus on the chemistry of the organic solvents of the electrolyte. Each section includes a short overview of computational methodology and some applications, followed by a highlight of recent work. The first section describes how quantum chemical methods can be used to interrogate problems in Li-ion batteries. The highlighted work in this section is a study of the reactions of organic solvent on model systems to form an oligomeric SEI layer. In the next section the use of classical and ab initio molecular dynamics to simulate reactions in the SEI layer is reviewed and two studies are highlighted. The final method is the use of data from ab initio calculations to screen electrolytes for improved reactivity. The chapter closes with a section on the future outlook of atomic-level modeling of Li-ion electrolytes.
C1 [Ferguson, Glen; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
RP Ferguson, G (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM gferguson@anl.gov
NR 105
TC 4
Z9 4
U1 3
U2 25
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2820-7
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2013
VL 1133
BP 217
EP 233
PG 17
WC Chemistry, Multidisciplinary; Computer Science, Interdisciplinary
Applications; Energy & Fuels
SC Chemistry; Computer Science; Energy & Fuels
GA BFX60
UT WOS:000321806600012
ER
PT J
AU Wang, D
Jia, W
Olsen, SC
Wuebbles, DJ
Dubey, MK
Rockett, AA
AF Wang, D.
Jia, W.
Olsen, S. C.
Wuebbles, D. J.
Dubey, M. K.
Rockett, A. A.
TI Impact of a future H-2-based road transportation sector on the
composition and chemistry of the atmosphere - Part 1: Tropospheric
composition and air quality
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID CMAQ MODELING SYSTEM; HYDROGEN ECONOMY; MOLECULAR-HYDROGEN;
CARBON-MONOXIDE; VERSION 4.5; H-2; EMISSIONS; CLIMATE; OZONE; SOIL
AB Vehicles burning fossil fuel emit a number of substances that change the composition and chemistry of the atmosphere, and contribute to global air and water pollution and climate change. For example, nitrogen oxides and volatile organic compounds (VOCs) emitted as byproducts of fossil fuel combustion are key precursors to ground-level ozone and aerosol formation. In addition, on-road vehicles are major CO2 emitters. In order to tackle these problems, molecular hydrogen (H-2) has been proposed as an energy carrier to substitute for fossil fuels in the future. However, before implementing any such strategy it is crucial to evaluate its potential impacts on air quality and climate. Here, we evaluate the impact of a future (2050) H-2-based road transportation sector on tropospheric chemistry and air quality for several possible growth and technology adoption scenarios. The growth scenarios are based on the high and low emissions Intergovernmental Panel on Climate Change Special Report on Emissions Scenarios, A1FI and B1, respectively. The technological adoption scenarios include H-2 fuel cell and H-2 internal combustion engine options. The impacts are evaluated with the Community Atmospheric Model Chemistry global chemistry transport model (CAM-Chem). Higher resolution simulations focusing on the contiguous United States are also carried out with the Community Multiscale Air Quality Modeling System (CMAQ) regional chemistry transport model. For all scenarios future air quality improves with the adoption of a H-2-based road transportation sector; however, the magnitude and type of improvement depend on the scenario. Model results show that the adoption of H-2 fuel cells would decrease tropospheric burdens of ozone (7%), CO (14%), NOx (16%), soot (17%), sulfate aerosol (4%), and ammonium nitrate aerosol (12%) in the A1FI scenario, and would decrease those of ozone (5%), CO (4%), NOx (11%), soot (7%), sulfate aerosol (4%), and ammonium nitrate aerosol (9%) in the B1 scenario. The adoption of H-2 internal combustion engines would decrease tropospheric burdens of ozone (1%), CO (18%), soot (17%), and sulfate aerosol (3%) in the A1FI scenario, and would decrease those of ozone (1%), CO (7%), soot (7%), and sulfate aerosol (3%) in the B1 scenario. In the future, people residing in the contiguous United States could expect to experience significantly fewer days of elevated levels of pollution if a H-2 fuel cell road transportation sector were to be adopted. Health benefits of transitioning to a H-2 economy for citizens in developing nations, like China and India, will be much more dramatic, particularly in megacities with severe, intensifying air-quality problems.
C1 [Wang, D.; Jia, W.; Olsen, S. C.; Wuebbles, D. J.] Univ Illinois, Dept Atmospher Sci, Urbana, IL USA.
[Dubey, M. K.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Rockett, A. A.] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL USA.
RP Wuebbles, DJ (reprint author), Univ Illinois, Dept Atmospher Sci, Urbana, IL USA.
EM wuebbles@atmos.uiuc.edu
RI Dubey, Manvendra/E-3949-2010; Rockett, Angus/B-5539-2013
OI Dubey, Manvendra/0000-0002-3492-790X; Rockett, Angus/0000-0001-9759-8421
FU United States Department of Energy [DE-FC36-07GO17109]
FX The authors thank Hugh Pitcher for providing projections of energy
efficiency. Funding for this study was provided by the United States
Department of Energy through award number DE-FC36-07GO17109 to the
University of Illinois project "Evaluation of the Potential
Environmental Impacts from Large-Scale Use and Production of Hydrogen in
Energy and Transportation Applications". MKD thanks Los Alamos National
Laboratory's LDRD and IGPP for nurturing this research.
NR 49
TC 4
Z9 4
U1 3
U2 19
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2013
VL 13
IS 13
BP 6117
EP 6137
DI 10.5194/acp-13-6117-2013
PG 21
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 182TL
UT WOS:000321767200001
ER
PT J
AU Wang, D
Jia, W
Olsen, SC
Wuebbles, DJ
Dubey, MK
Rockett, AA
AF Wang, D.
Jia, W.
Olsen, S. C.
Wuebbles, D. J.
Dubey, M. K.
Rockett, A. A.
TI Impact of a future H-2-based road transportation sector on the
composition and chemistry of the atmosphere - Part 2: Stratospheric
ozone
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID HYDROGEN ECONOMY; NITROGEN-OXIDES; MODEL; TROPOSPHERE; METHANE; CLIMATE;
O-3
AB The prospective future adoption of molecular hydrogen (H-2) to power the road transportation sector could greatly improve tropospheric air quality but also raises the question of whether the adoption would have adverse effects on the stratospheric ozone. The possibility of undesirable impacts must be fully evaluated to guide future policy decisions. Here we evaluate the possible impact of a future (2050) H-2-based road transportation sector on stratospheric composition and chemistry, especially on the stratospheric ozone, with the MOZART (Model for OZone And Related chemical Tracers) model. Since future growth is highly uncertain, we evaluate the impact of two world evolution scenarios, one based on an IPCC (Intergovernmental Panel on Climate Change) high-emitting scenario (A1FI) and the other on an IPCC low-emitting scenario (B1), as well as two technological options: H-2 fuel cells and H-2 internal combustion engines. We assume a H-2 leakage rate of 2.5% and a complete market penetration of H-2 vehicles in 2050. The model simulations show that a H-2-based road transportation sector would reduce stratospheric ozone concentrations as a result of perturbed catalytic ozone destruction cycles. The magnitude of the impact depends on which growth scenario evolves and which H-2 technology option is applied. For the evolution growth scenario, stratospheric ozone decreases more in the H-2 fuel cell scenarios than in the H-2 internal combustion engine scenarios because of the NOx emissions in the latter case. If the same technological option is applied, the impact is larger in the A1FI emission scenario. The largest impact, a 0.54% decrease in annual average global mean stratospheric column ozone, is found with a H-2 fuel cell type road transportation sector in the A1FI scenario; whereas the smallest impact, a 0.04% increase in stratospheric ozone, is found with applications of H-2 internal combustion engine vehicles in the B1 scenario. The impacts of the other two scenarios fall between the above two boundary scenarios. However, the magnitude of these changes is much smaller than the increases in 2050 stratospheric ozone projected, as stratospheric ozone is expected to recover due to the limits in ozone depleting substance emissions imposed in the Montreal Protocol.
C1 [Wang, D.; Jia, W.; Olsen, S. C.; Wuebbles, D. J.] Univ Illinois, Dept Atmospher Sci, Urbana, IL USA.
[Dubey, M. K.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Rockett, A. A.] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL USA.
RP Wuebbles, DJ (reprint author), Univ Illinois, Dept Atmospher Sci, Urbana, IL USA.
EM wuebbles@atmos.uiuc.edu
RI Dubey, Manvendra/E-3949-2010; Rockett, Angus/B-5539-2013
OI Dubey, Manvendra/0000-0002-3492-790X; Rockett, Angus/0000-0001-9759-8421
FU United States Department of Energy [DE-FC36-07GO17109]; LANL's IGPP
program
FX The authors thank Hugh Pitcher for providing projections of energy
efficiency. Funding for this study was provided by the United States
Department of Energy through award number DE-FC36-07GO17109 to the
University of Illinois project "Evaluation of the Potential
Environmental Impacts from Large-Scale Use and Production of Hydrogen in
Energy and Transportation Applications". MKD would like to thank LANL's
IGPP program for support.
NR 26
TC 1
Z9 1
U1 0
U2 10
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2013
VL 13
IS 13
BP 6139
EP 6150
DI 10.5194/acp-13-6139-2013
PG 12
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 182TL
UT WOS:000321767200002
ER
PT J
AU Huang, Y
Wu, S
Dubey, MK
French, NHF
AF Huang, Y.
Wu, S.
Dubey, M. K.
French, N. H. F.
TI Impact of aging mechanism on model simulated carbonaceous aerosols
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID GENERAL-CIRCULATION MODEL; ORGANIC AEROSOL; BLACK CARBON; ELEMENTAL
CARBON; TRANSPORT; UNCERTAINTIES; DEPOSITION; PARTICLES; CHEMISTRY;
EMISSIONS
AB Carbonaceous aerosols including organic carbon and black carbon have significant implications for both climate and air quality. In the current global climate or chemical transport models, a fixed hydrophobic-to-hydrophilic conversion lifetime for carbonaceous aerosol (tau) is generally assumed, which is usually around one day. We have implemented a new detailed aging scheme for carbonaceous aerosols in a chemical transport model (GEOS-Chem) to account for both the chemical oxidation and the physical condensation-coagulation effects, where tau is affected by local atmospheric environment including atmospheric concentrations of water vapor, ozone, hydroxyl radical and sulfuric acid. The updated tau exhibits large spatial and temporal variations with the global average (up to 11 km altitude) calculated to be 2.6 days. The chemical aging effects are found to be strongest over the tropical regions driven by the low ozone concentrations and high humidity there. The tau resulted from chemical aging generally decreases with altitude due to increases in ozone concentration and decreases in humidity. The condensation-coagulation effects are found to be most important for the high-latitude areas, in particular the polar regions, where the tau values are calculated to be up to 15 days. When both the chemical aging and condensation-coagulation effects are considered, the total atmospheric burdens and global average lifetimes of BC, black carbon, (OC, organic carbon) are calculated to increase by 9% (3 %) compared to the control simulation, with considerable enhancements of BC and OC concentrations in the Southern Hemisphere. Model evaluations against data from multiple datasets show that the updated aging scheme improves model simulations of carbonaceous aerosols for some regions, especially for the remote areas in the Northern Hemisphere. The improvement helps explain the persistent low model bias for carbonaceous aerosols in the Northern Hemisphere reported in literature. Further model sensitivity simulations focusing on the continental outflow of carbonaceous aerosols demonstrate that previous studies using the old aging scheme could have significantly underestimated the intercontinental transport of carbonaceous aerosols.
C1 [Huang, Y.] Michigan Technol Univ, Dept Geol & Min Engn & Sci, Houghton, MI 49931 USA.
[Wu, S.] Michigan Technol Univ, Dept Geol & Min Engn & Sci, Dept Civil & Environm Engn, Atmospher Sci Program, Houghton, MI 49931 USA.
[Dubey, M. K.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[French, N. H. F.] Michigan Technol Univ, Michigan Tech Res Inst, Ann Arbor, MI 48105 USA.
RP Wu, S (reprint author), Michigan Technol Univ, Dept Geol & Min Engn & Sci, Dept Civil & Environm Engn, Atmospher Sci Program, Houghton, MI 49931 USA.
EM slwu@mtu.edu
RI Dubey, Manvendra/E-3949-2010; Chem, GEOS/C-5595-2014;
OI Dubey, Manvendra/0000-0002-3492-790X; French, Nancy/0000-0002-2389-3003
FU US EPA [R83428601]; NIH [1 RC1 ES018612]
FX This work was supported by US EPA (grant # R83428601) and NIH (grant #1
RC1 ES018612). We thank Robert Page at Michigan Tech for his help on
programming. We would like to thank people contributing to the multiple
datasets including ACE-Asia, HIPPO1, IMPROVE, EMEP, and CAWNET. We thank
Joshua Schwarz for help on the HIPPO1 data. We thank the Editor and two
anonymous reviewers for their helpful comments.
NR 54
TC 14
Z9 14
U1 0
U2 21
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2013
VL 13
IS 13
BP 6329
EP 6343
DI 10.5194/acp-13-6329-2013
PG 15
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 182TL
UT WOS:000321767200013
ER
PT J
AU Wang, J
McGraw, RL
Kuang, C
AF Wang, J.
McGraw, R. L.
Kuang, C.
TI Growth of atmospheric nano-particles by heterogeneous nucleation of
organic vapor
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID AEROSOL FORMATION; BOREAL FOREST; INITIAL STEPS; SULFURIC-ACID; NUCLEI;
RATES; CONDENSATION; EVENTS; CRITERION; POLLUTION
AB Atmospheric aerosols play critical roles in air quality, public health, and visibility. In addition, they strongly influence climate by scattering solar radiation and by changing the reflectivity and lifetime of clouds. One major but still poorly understood source of atmospheric aerosols is new particle formation, which consists of the formation of thermodynamically stable clusters from trace gas molecules (homogeneous nucleation) followed by growth of these clusters to a detectable size (similar to 3 nm). Because freshly nucleated clusters are most susceptible to loss due to high rate of coagulation with pre-existing aerosol population, the initial growth rate strongly influences the rate of new particle formation and ambient aerosol population. Whereas many field observations and modeling studies indicate that organics enhance the initial growth of the clusters and therefore new particle formation, thermodynamic considerations would suggest that the strong increase of equilibrium vapor concentration due to cluster surface curvature (Kelvin effect) may prevent ambient organics from condensing on these small clusters. Here, the contribution of organics to the initial cluster growth is described as heterogeneous nucleation of organic molecules onto these clusters. We find that the strong gradient in cluster population with respect to its size leads to positive cluster number flux. This positive flux drives the growth of clusters substantially smaller than the Kelvin diameter, conventionally considered the minimum particle size that can be grown through condensation. The conventional approach neglects the contribution from the cluster concentration gradient, and underestimates the cluster survival probabilities by a factor of up to 60 if early growth of clusters is due to both condensation of sulfuric acid and heterogeneous nucleation of organic vapors.
C1 [Wang, J.; McGraw, R. L.; Kuang, C.] Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA.
RP Wang, J (reprint author), Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA.
EM jian@bnl.gov
RI Wang, Jian/G-9344-2011; Kuang, Chongai/E-4446-2013
FU U.S. Department of Energy's Atmospheric Science Program (Office of
Science, OBER) [DE-AC02-98CH10886]
FX This work was supported by the U.S. Department of Energy's Atmospheric
Science Program (Office of Science, OBER) under contract
DE-AC02-98CH10886.
NR 49
TC 6
Z9 6
U1 0
U2 32
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2013
VL 13
IS 13
BP 6523
EP 6531
DI 10.5194/acp-13-6523-2013
PG 9
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 182TL
UT WOS:000321767200027
ER
PT J
AU Lee, YH
Lamarque, JF
Flanner, MG
Jiao, C
Shindell, DT
Berntsen, T
Bisiaux, MM
Cao, J
Collins, WJ
Curran, M
Edwards, R
Faluvegi, G
Ghan, S
Horowitz, LW
McConnell, JR
Ming, J
Myhre, G
Nagashima, T
Naik, V
Rumbold, ST
Skeie, RB
Sudo, K
Takemura, T
Thevenon, F
Xu, B
Yoon, JH
AF Lee, Y. H.
Lamarque, J. -F.
Flanner, M. G.
Jiao, C.
Shindell, D. T.
Berntsen, T.
Bisiaux, M. M.
Cao, J.
Collins, W. J.
Curran, M.
Edwards, R.
Faluvegi, G.
Ghan, S.
Horowitz, L. W.
McConnell, J. R.
Ming, J.
Myhre, G.
Nagashima, T.
Naik, V.
Rumbold, S. T.
Skeie, R. B.
Sudo, K.
Takemura, T.
Thevenon, F.
Xu, B.
Yoon, J-H
TI Evaluation of preindustrial to present-day black carbon and its albedo
forcing from Atmospheric Chemistry and Climate Model Intercomparison
Project (ACCMIP) (vol 13, pg 2607, 2013)
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Correction
C1 [Lee, Y. H.; Shindell, D. T.; Faluvegi, G.] NASA, Goddard Inst Space Studies, New York, NY 10025 USA.
[Lee, Y. H.; Shindell, D. T.; Faluvegi, G.] Columbia Earth Inst, New York, NY USA.
[Lamarque, J. -F.] Natl Ctr Atmospher Res NCAR, Boulder, CO USA.
[Flanner, M. G.; Jiao, C.] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA.
[Berntsen, T.] Univ Oslo, CICERO, Oslo, Norway.
[Berntsen, T.] Univ Oslo, Dept Geosci, Oslo, Norway.
[Bisiaux, M. M.; McConnell, J. R.] Nevada Syst Higher Educ, Desert Res Inst, Reno, NV USA.
[Cao, J.] Chinese Acad Sci, Inst Earth Environm, State Key Lab Loess & Quaternary Geol, Xian, Peoples R China.
[Collins, W. J.; Rumbold, S. T.] Hadley Ctr, Met Off, Exeter, Devon, England.
[Edwards, R.] Curtin Univ, Dept Imaging & Appl Phys, Bentley, WA, Australia.
[Ghan, S.; Yoon, J-H] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Horowitz, L. W.] NOAA, Geophys Fluid Dynam Lab, Princeton, NJ USA.
[Ming, J.] China Meteorol Adm, Natl Climate Ctr, Beijing, Peoples R China.
[Myhre, G.] CICERO, Oslo, Norway.
[Nagashima, T.; Skeie, R. B.] Natl Inst Environm Studies, Tsukuba, Ibaraki, Japan.
[Naik, V.] NOAA, UCAR, Geophys Fluid Dynam Lab, Princeton, NJ USA.
[Sudo, K.] Nagoya Univ, Grad Sch Environm Studies, Dept Earth & Environm Sci, Nagoya, Aichi 4648601, Japan.
[Takemura, T.] Kyushu Univ, Res Inst Appl Mech, Fukuoka 812, Japan.
[Thevenon, F.] Univ Geneva, FA Forel Inst, Versoix, Switzerland.
[Xu, B.] Chinese Acad Sci, Inst Tibetan Plateau Res, Key Lab Tibetan Environm Changes & Land Surface P, Beijing, Peoples R China.
RP Lee, YH (reprint author), NASA, Goddard Inst Space Studies, New York, NY 10025 USA.
EM yunha.lee@nasa.gov
RI Shindell, Drew/D-4636-2012; Horowitz, Larry/D-8048-2014; Ghan,
Steven/H-4301-2011; Edwards, Ross/B-1433-2013; Lee, Yunha/Q-7222-2016;
Cao, Junji/D-3259-2014; Naik, Vaishali/A-4938-2013; Lamarque,
Jean-Francois/L-2313-2014; Kyushu, RIAM/F-4018-2015; Myhre,
Gunnar/A-3598-2008; U-ID, Kyushu/C-5291-2016
OI Horowitz, Larry/0000-0002-5886-3314; Ghan, Steven/0000-0001-8355-8699;
Edwards, Ross/0000-0002-9233-8775; Lee, Yunha/0000-0001-7478-2672; Cao,
Junji/0000-0003-1000-7241; Naik, Vaishali/0000-0002-2254-1700; Lamarque,
Jean-Francois/0000-0002-4225-5074; Myhre, Gunnar/0000-0002-4309-476X;
NR 1
TC 1
Z9 1
U1 0
U2 19
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2013
VL 13
IS 13
BP 6553
EP 6554
DI 10.5194/acp-13-6553-2013
PG 2
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 182TL
UT WOS:000321767200029
ER
PT J
AU Wang, JJ
Chen-Wiegart, YCK
Wang, J
AF Wang, Jiajun
Chen-Wiegart, Yu-chen Karen
Wang, Jun
TI In situ chemical mapping of a lithium-ion battery using full-field hard
X-ray spectroscopic imaging
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID NANO-TOMOGRAPHY; MICROSCOPY; LITHIATION
AB In situ tracking of chemical phase transformation, mapping, and composition information of a battery with CuO as the anode was performed with quantitative analysis at sub-30 nm resolution with a 40 x 40 mu m field of view using transmission X-ray microscopy combined with spectroscopy. A size-dependent and core-shell lithiation-delithiation mechanism was suggested for the electrochemical reaction.
C1 [Wang, Jiajun; Chen-Wiegart, Yu-chen Karen; Wang, Jun] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
RP Wang, J (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, 75 Brookhaven Ave Bldg 725D, Upton, NY 11973 USA.
EM junwang@bnl.gov
RI wang, jiajun/H-3315-2012; wang, jiajun/H-5683-2016
FU U.S. Department of Energy, Office of Basic Energy Sciences
[DE-AC02-98CH10886]
FX This work was performed at NSLS and the Center for Functional
Nanomaterials, BNL, which is supported by the U.S. Department of Energy,
Office of Basic Energy Sciences under Contract No. DE-AC02-98CH10886. We
also acknowledge Drs Jianming Bai and Dong Su for XRD and TEM
measurements.
NR 13
TC 39
Z9 39
U1 1
U2 56
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
EI 1364-548X
J9 CHEM COMMUN
JI Chem. Commun.
PY 2013
VL 49
IS 58
BP 6480
EP 6482
DI 10.1039/c3cc42667j
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 170VT
UT WOS:000320883500003
PM 23685635
ER
PT J
AU Collins, MS
Carnes, ME
Sather, AC
Berryman, OB
Zakharov, LN
Teat, SJ
Johnson, DW
AF Collins, Mary S.
Carnes, Matthew E.
Sather, Aaron C.
Berryman, Orion B.
Zakharov, Lev N.
Teat, Simon J.
Johnson, Darren W.
TI Pnictogen-directed synthesis of discrete disulfide macrocycles
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID BIOLOGICAL RECOGNITION; AROMATIC RINGS; IODINE
AB Cyclic disulfide macrocycles were rapidly synthesized cleanly and selectively from rigid dithiols via oxidation with iodine when activated by pnictogen additives (As and Sb). Macrocycles were confirmed by H-1-NMR spectroscopy and X-ray crystallography. A p-xylyl-based disulfide trimer and tetramer crystallized in hollow, stacked columns stabilized by intermolecular, sulfur center dot center dot center dot sulfur close contacts.
C1 [Collins, Mary S.; Carnes, Matthew E.; Sather, Aaron C.; Berryman, Orion B.; Johnson, Darren W.] Univ Oregon, Eugene, OR 97403 USA.
[Collins, Mary S.; Carnes, Matthew E.; Sather, Aaron C.; Berryman, Orion B.; Johnson, Darren W.] Univ Oregon, Inst Mat Sci, Eugene, OR 97403 USA.
[Zakharov, Lev N.] Univ Oregon, CAMCOR Ctr Adv Mat Characterizat Oregon, Eugene, OR 97403 USA.
[Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Johnson, DW (reprint author), Univ Oregon, Eugene, OR 97403 USA.
EM dwj@uoregon.edu
FU University of Oregon; Research Corporation for Science Advancement
[20317]; Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy [DE-AC02-05CH11231]
FX The authors thank the University of Oregon for partial support of this
work. D.W.J. is a Scialog Fellow of Research Corporation for Science
Advancement (Award ID 20317). 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 20
TC 4
Z9 4
U1 1
U2 14
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2013
VL 49
IS 59
BP 6599
EP 6601
DI 10.1039/c3cc43524e
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 172OE
UT WOS:000321012900007
PM 23770675
ER
PT J
AU Plonka, AM
Banerjee, D
Woerner, WR
Zhang, ZJ
Li, J
Parise, JB
AF Plonka, Anna M.
Banerjee, Debasis
Woerner, William R.
Zhang, Zhijuan
Li, Jing
Parise, John B.
TI Effect of ligand geometry on selective gas-adsorption: the case of a
microporous cadmium metal organic framework with a V-shaped linker
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID CARBON-DIOXIDE CAPTURE; ZEOLITIC IMIDAZOLATE FRAMEWORKS; CO2 CAPTURE;
COORDINATION POLYMERS; SWING ADSORPTION; SEPARATION; TEMPERATURE;
CAPACITY; HYDROGEN; CO2/N-2
AB A microporous cadmium metal organic framework is synthesized and structurally characterized. The material possesses a 3-D framework with a 1-D sinusoidal chain and shows high selectivity for CO2 over N-2. The selectivity is attributed to CO2 interacting with two phenyl rings of a V-shaped linker as estimated by the in situ XRD-DSC study.
C1 [Plonka, Anna M.; Woerner, William R.; Parise, John B.] SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA.
[Banerjee, Debasis; Zhang, Zhijuan; Li, Jing] Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ 08854 USA.
[Parise, John B.] Brookhaven Natl Lab, Photon Sci Div, Upton, NY 11973 USA.
RP Li, J (reprint author), Rutgers State Univ, Dept Chem & Chem Biol, 610 Taylor Rd, Piscataway, NJ 08854 USA.
EM Jingli@rutgers.edu; john.parise@stonybrook.edu
RI Banerjee, Debasis/B-2439-2008
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-FG02-09ER46650, DE-AC02-06CH11357, DE-FG02-08ER46491];
National Science Foundation/Department of Energy [NSF/CHE-0822838]
FX The synthesis, DSC-XRD characterization work and analysis of synchrotron
data at Stony Brook is supported by the U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences under contract
DE-FG02-09ER46650. The structure of 1 was determined in ChemMatCars
(Sector 15), Advanced Photon Source (APS), principally supported by the
National Science Foundation/Department of Energy (NSF/CHE-0822838). Use
of APS was supported by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences under contract no.
DE-AC02-06CH11357. The RU team acknowledges the partial support for the
gas adsorption work and IAST calculations by the U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences through Grant
DE-FG02-08ER46491.
NR 31
TC 17
Z9 17
U1 1
U2 41
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2013
VL 49
IS 63
BP 7055
EP 7057
DI 10.1039/c3cc43299h
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 182QH
UT WOS:000321758300011
PM 23811783
ER
PT J
AU Whitehead, GFS
Cross, B
Carthy, L
Milway, VA
Rath, H
Fernandez, A
Heath, SL
Muryn, CA
Pritchard, RG
Teat, SJ
Timco, GA
Winpenny, REP
AF Whitehead, George F. S.
Cross, Bryony
Carthy, Laura
Milway, Victoria A.
Rath, Harapriya
Fernandez, Antonio
Heath, Sarah L.
Muryn, Christopher A.
Pritchard, Robin G.
Teat, Simon J.
Timco, Grigore A.
Winpenny, Richard E. P.
TI Rings and threads as linkers in metal-organic frameworks and
poly-rotaxanes
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID INORGANIC ROTAXANES
AB Coordination polymers and metal-organic rotaxane frameworks are reported where the organic linker is replaced by functionalised inorganic clusters that act as bridging ligands.
C1 [Whitehead, George F. S.; Cross, Bryony; Carthy, Laura; Milway, Victoria A.; Rath, Harapriya; Fernandez, Antonio; Heath, Sarah L.; Muryn, Christopher A.; Pritchard, Robin G.; Timco, Grigore A.; Winpenny, Richard E. P.] Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England.
[Whitehead, George F. S.; Cross, Bryony; Carthy, Laura; Milway, Victoria A.; Rath, Harapriya; Fernandez, Antonio; Heath, Sarah L.; Muryn, Christopher A.; Pritchard, Robin G.; Timco, Grigore A.; Winpenny, Richard E. P.] Univ Manchester, Photon Sci Inst, Manchester M13 9PL, Lancs, England.
[Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Winpenny, REP (reprint author), Univ Manchester, Sch Chem, Oxford Rd, Manchester M13 9PL, Lancs, England.
EM richard.winpenny@manchester.ac.uk
RI Whitehead, George/E-6639-2017
OI Whitehead, George/0000-0003-1949-4250
FU EPSRC (UK); European Commission; Royal Society (Newton Fellowship);
Office of Science, Office of Basic Energy Sciences, of the US Department
of Energy [DE-AC02-05CH11231]; Royal Society
FX This research was funded by the EPSRC (UK) and the European Commission
(Marie Curie Intra-European Fellowship to A.F.) and the Royal Society
(Newton Fellowship to H.R.). The ALS is supported by the Director,
Office of Science, Office of Basic Energy Sciences, of the US Department
of Energy under contract no. DE-AC02-05CH11231. R.E.P.W. holds a Royal
Society Wolfson Research Merit Award.
NR 15
TC 18
Z9 18
U1 1
U2 41
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2013
VL 49
IS 65
BP 7195
EP 7197
DI 10.1039/c3cc42300j
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 185GX
UT WOS:000321956400003
PM 23788112
ER
PT J
AU Driscoll, PF
Deunf, E
Rubin, L
Arnold, J
Kerr, JB
AF Driscoll, Peter F.
Deunf, Elise
Rubin, Leah
Arnold, John
Kerr, John B.
TI Electrochemical Redox Catalysis for Electrochemical Dehydrogenation of
Liquid Hydrogen Carrier Fuels for Energy Storage and Conversion
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID FERROCENE DERIVATIVES; OXIDATION; REDUCTION; HALIDES; LOHC
AB The application of redox catalysis to the electrochemical dehydrogenation of organic molecules is of interest for a hybrid flow battery/fuel cell system for energy storage. The process of redox catalysis has been known and well studied theoretically and experimentally for several decades. Studies of redox catalysis can be instrumental in determining mechanistic aspects of electrochemical reactions and in measuring basic thermodynamic and kinetic parameters. Redox catalysis has the ability to reduce the overpotential of the dehydrogenation reaction used in such a system as well as to alter the course of the reaction to achieve higher efficiencies. The mechanism of catalysis can involve an ECE-type reaction or a CEE-type reaction. In either case the acid-base chemistry of the medium is critical. Preliminary results of catalytic current measurements as a function of redox catalyst, base concentration, and base strength are described along with possible reaction mechanisms. (C) 2013 The Electrochemical Society. All rights reserved.
C1 [Driscoll, Peter F.; Deunf, Elise; Rubin, Leah; Arnold, John; Kerr, John B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Deunf, Elise; Rubin, Leah; Arnold, John] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
RP Driscoll, PF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
EM jbkerr@lbl.gov
RI Arnold, John/F-3963-2012
OI Arnold, John/0000-0001-9671-227X
FU Center for Electrocatalysis, Transport Phenomena, and Materials (CETM)
for Innovative Energy Storage, an Energy Frontier Research Center
(EFRC); U.S. Department of Energy, Office of Science, Office of Basic
Energy Sciences [DE-SC00001055]; U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences under DOE [DE-AC02-05CH11231]
FX This material is based upon work supported as part of the Center for
Electrocatalysis, Transport Phenomena, and Materials (CETM) for
Innovative Energy Storage, an Energy Frontier Research Center (EFRC)
funded by the U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences under Award Number DE-SC00001055 and under DOE
Contract No DE-AC02-05CH11231.
NR 25
TC 3
Z9 3
U1 1
U2 25
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2013
VL 160
IS 7
BP G3152
EP G3158
DI 10.1149/2.024307jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA 183DQ
UT WOS:000321794600025
ER
PT J
AU Strack, G
Babanova, S
Farrington, KE
Luckarift, HR
Atanassov, P
Johnson, GR
AF Strack, Guinevere
Babanova, Sofia
Farrington, Karen E.
Luckarift, Heather R.
Atanassov, Plamen
Johnson, Glenn R.
TI Enzyme-Modified Buckypaper for Bioelectrocatalysis
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID DIRECT ELECTRON-TRANSFER; GLUCOSE-DEHYDROGENASE; CARBON ELECTRODES;
CELL; BIOSENSORS
AB Direct bioelectrocatalysis was demonstrated-with pyrroloquinoline quinone-dependent glucose dehydrogenase (PQQ-GDH) tethered to a range of carbon nanotube (CNT) materials, as evidenced by the generation of anodic current in the presence of glucose. Physical and electrochemical characterization of CNT paper (buckypaper) reveals marked differences attributed to changes in CNT dimensions, including conductivity, packing density, and electrochemically accessible surface area. By using single-walled CNTs as the electrode material, higher current densities per geometric area and lower electron transfer resistances were achieved. In comparison, electrodes made of oxidized CNTs enhanced in the physical adsorption of PQQ, but displayed voltage drops associated with activation losses. In addition, electrode longevity tests revealed that electrochemical activity was retained for two days but decreased by 50% on the third day. PQQ-GDH enzymatic electrodes show potential application as biological fuel cell anodes and will oxidize a range of mono- and disaccharide substrates. (C) 2013 The Electrochemical Society.
C1 [Strack, Guinevere; Farrington, Karen E.; Luckarift, Heather R.; Johnson, Glenn R.] Air Force Res Lab, Airbase Technol Div, Tyndall AFB, FL 32403 USA.
[Strack, Guinevere] Oak Ridge Inst Sci & Engn, Oak Ridge, TN 37831 USA.
[Babanova, Sofia; Atanassov, Plamen] Univ New Mexico, Ctr Emerging Energy Technol, Albuquerque, NM 87131 USA.
[Farrington, Karen E.; Luckarift, Heather R.] Univ Technol Corp, Dayton, OH 45432 USA.
RP Strack, G (reprint author), Air Force Res Lab, Airbase Technol Div, Tyndall AFB, FL 32403 USA.
EM glenn.johnson@i3-corps.com
FU U.S. Department of Energy; Air Force Research Laboratory, Materials and
Manufacturing Directorate, Airbase Technologies Division (AFRL/RXQ);
NSF-CRET
FX The authors acknowledge Buckeye Composites for manufacturing
made-to-order BP and providing detailed characterization of the
material. This research was supported in part by an appointment to the
Postgraduate Research Participation Program at the Air Force Research
Laboratory administered by the Oak Ridge Institute for Science and
Education (ORISE) through an interagency agreement between the U.S.
Department of Energy and the Air Force Research Laboratory, Materials
and Manufacturing Directorate, Airbase Technologies Division (AFRL/RXQ).
University of New Mexico work was supported by funding from the NSF-CRET
Biosensing Program: Collaborative Research: Supramolecular
Bio-Nano-Architectures as Biosensing Platforms.
NR 25
TC 17
Z9 17
U1 3
U2 29
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2013
VL 160
IS 7
BP G3178
EP G3182
DI 10.1149/2.028307jes
PG 5
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA 183DQ
UT WOS:000321794600029
ER
PT S
AU Nekoogar, F
Dowla, F
AF Nekoogar, Faranak
Dowla, Farid
BE Akopian, D
Creutzburg, R
Georgiev, TG
Kennedy, LS
Lumsdaine, A
Matherson, KJ
Sebe, N
Snoek, CGM
Wuller, D
TI Location-Based Tracking Using Long Range Passive RFID and Ultra-wideband
Communications
SO MULTIMEDIA CONTENT AND MOBILE DEVICES
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Multimedia Content and Mobile Devices
CY FEB 04-06, 2013
CL Burlingame, CA
SP Soc Imaging Sci & Technol (IS&T), SPIE, Qualcomm Inc
DE RF tracking; mobile platform; passive RFID; UWB; first responders;
emergency response
AB Reliable positioning capability is a crucial need for first responders in emergency and disaster situations. Lack of a dependable positioning system can result in disruptions in the situational awareness between the local responders in the field and the emergency command and control centers. Indoor localization and navigation poses many challenges for search and rescue teams (i.e. firefighters) such as inability to determine their exact location and communicate with the incident commander outside the building. Although RF navigation and tracking systems have many advantages over other technologies, the harsh indoor RF environment demands new ways of developing and using RF sensor and communication systems. A new approach, proposed recently [1-4], employs passive RFID for geo-location and tracking of a first responder. However, because conventional passive RFID tags have limited communications ranges, a very large number of these tags will be required to fully cover a large multi-storied building without any dead spots. Another technical challenge for conventional RF communications is the transmission of data from the mobile RFID platform (the tag reader) to the outside command and control node, as the buildings walls impose challenges such as attenuation and multipath. In this paper, we introduce a mobile platform architecture that makes optimal use of long-range passive tags, and takes advantage of the frequency diversity of Ultra-wideband (UWB) communication systems for a reliable, robust and yet low-cost infrastructure
C1 [Nekoogar, Faranak; Dowla, Farid] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Nekoogar, F (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave L-183, Livermore, CA 94550 USA.
NR 8
TC 0
Z9 0
U1 1
U2 9
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9440-5
J9 PROC SPIE
PY 2013
VL 8667
AR 86670M
DI 10.1117/12.2008706
PG 8
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BFW66
UT WOS:000321695100019
ER
PT J
AU Moon, GH
Shin, Y
Choi, D
Arey, BW
Exarhos, GJ
Wang, C
Choi, W
Liu, J
AF Moon, Gun-hee
Shin, Yongsoon
Choi, Daiwon
Arey, Bruce W.
Exarhos, Gregory J.
Wang, Chongmin
Choi, Wonyong
Liu, Jun
TI Catalytic templating approaches for three-dimensional hollow
carbon/graphene oxide nano-architectures
SO NANOSCALE
LA English
DT Article
ID REDUCED GRAPHENE OXIDE; HIGH-POWER SUPERCAPACITORS; CARBON NANOTUBES;
HIGH-ENERGY; ELECTRODES; FILMS; PERFORMANCE; NANOSHEETS; REDUCTION;
GRAPHITE
AB We report a catalytic templating method to synthesize well-controlled three-dimensional carbon nano-architectures. Depending on graphene oxide content, the morphology can be systematically tuned from layered composites to 3D hollow structures to microporous materials. The composites with high surface area and high porosity induce a significant enhancement to its capacitance at high current density.
C1 [Moon, Gun-hee; Shin, Yongsoon; Choi, Daiwon; Arey, Bruce W.; Exarhos, Gregory J.; Wang, Chongmin; Liu, Jun] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99354 USA.
[Moon, Gun-hee; Choi, Wonyong] Pohang Univ Sci & Technol POSTECH, Dept Chem Engn, Pohang 790784, South Korea.
RP Shin, Y (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, 902 Battelle Blvd, Richland, WA 99354 USA.
EM Yongsoon.shin@pnnl.gov; wchoi@postech.ac.kr; jun.liu@pnnl.gov
RI Choi, Wonyong/F-8206-2010; Choi, Daiwon/B-6593-2008; Moon,
Gun-hee/A-3279-2017
OI Choi, Wonyong/0000-0003-1801-9386;
FU U.S. Department of Energy's (DOE) Office of Basic Energy Sciences,
Division of Materials Sciences and Engineering; DOE's Office of
Biological and Environmental Research; DOE [DE-AC05-76RL01830]; KOSEF
NRL program; Korean government (MEST) [R0A-2008-000-20068-0]; KOSEF EPB
Center [R11-2008-052-02002]; Fundamental R&D Program for Core Technology
of Materials; Ministry of Knowledge Economy, South Korea
FX This work was supported by the U.S. Department of Energy's (DOE) Office
of Basic Energy Sciences, Division of Materials Sciences and
Engineering. The research was performed using 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-AC05-76RL01830. This work also was
supported by the KOSEF NRL program funded by the Korean government
(MEST) (no. R0A-2008-000-20068-0); the KOSEF EPB Center (no.
R11-2008-052-02002); and the Fundamental R&D Program for Core Technology
of Materials funded by the Ministry of Knowledge Economy, South Korea.
NR 52
TC 16
Z9 16
U1 1
U2 85
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
EI 2040-3372
J9 NANOSCALE
JI Nanoscale
PY 2013
VL 5
IS 14
BP 6291
EP 6296
DI 10.1039/c3nr01387a
PG 6
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA 172OW
UT WOS:000321014900013
PM 23740334
ER
PT J
AU Mortensen, NP
Hurst, GB
Wang, W
Foster, CM
Nallathamby, PD
Retterer, ST
AF Mortensen, Ninell P.
Hurst, Gregory B.
Wang, Wei
Foster, Carmen M.
Nallathamby, Prakash D.
Retterer, Scott T.
TI Dynamic development of the protein corona on silica nanoparticles:
composition and role in toxicity
SO NANOSCALE
LA English
DT Article
ID IN-VITRO TOXICITY; SHOTGUN PROTEOMICS; OXIDATIVE STRESS;
PLASMA-PROTEINS; DOSIMETRY; DELIVERY; BIOCOMPATIBILITY; IDENTIFICATIONS;
CYTOTOXICITY; MECHANISMS
AB The formation and composition of the protein corona on silica (SiO2) nanoparticles (NP) with different surface chemistries was evaluated over time. Native SiO2, amine (-NH2) and carboxy (-COO-) modified NP were examined following incubation in mammalian growth media containing fetal bovine serum (FBS) for 1, 4, 24 and 48 hours. The protein corona transition from its early dynamic state to the later more stable corona was evaluated using mass spectrometry. The NP diameter was 22.4 +/- 2.2 nm measured by scanning transmission electron microscopy (STEM). Changes in hydrodynamic diameter and agglomeration kinetics were studied using dynamic light scattering (DLS). The initial surface chemistry of the NP played an important role in the development and final composition of the protein corona, impacting agglomeration kinetics and NP toxicity. Particle toxicity, indicated by changes in membrane integrity and mitochondrial activity, was measured by lactate dehydrogenase (LDH) release and tetrazolium reduction (MTT), respectively, in mouse alveolar macrophages (RAW264.7) and mouse lung epithelial cells (C10). SiO2-COO- NP had a slower agglomeration rate, formed smaller aggregates, and exhibited lower cytotoxicity compared to SiO2 and SiO2-NH2. Composition of the protein corona for each of the three NP was unique, indicating a strong dependence of corona development on NP surface chemistry. This work underscores the need to understand all aspects of NP toxicity, particularly the influence of agglomeration on effective dose and particle size. Furthermore, the interplay between materials and local biological environment is emphasized and highlights the need to conduct toxicity profiling under physiologically relevant conditions that provide an appropriate estimation of material modifications that occur during exposure in natural environments.
C1 [Mortensen, Ninell P.; Foster, Carmen M.; Retterer, Scott T.] Oak Ridge Natl Lab, Biosci Div, Biol & Nanoscale Syst Grp, Oak Ridge, TN 37831 USA.
[Mortensen, Ninell P.; Retterer, Scott T.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci Div, Oak Ridge, TN 37831 USA.
[Hurst, Gregory B.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Wang, Wei] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
[Mortensen, Ninell P.; Nallathamby, Prakash D.; Retterer, Scott T.] Battelle Mem Inst, Battelle Ctr Fundamental & Appl Syst Toxicol, B FAST, Columbus, OH 43201 USA.
[Mortensen, Ninell P.] RTI Int, Ctr Aerosol & Nanomat Engn, Nanotoxicol & Nanopharmacol, Res Triangle Pk, NC 27709 USA.
RP Retterer, ST (reprint author), Oak Ridge Natl Lab, Biosci Div, Biol & Nanoscale Syst Grp, Oak Ridge, TN 37831 USA.
EM rettererst@ornl.gov
RI Wang, Wei/B-5924-2012; Retterer, Scott/A-5256-2011;
OI Retterer, Scott/0000-0001-8534-1979; Hurst, Gregory/0000-0002-7650-8009
FU B-FAST, Battelle Center for Fundamental and Applied Systems Toxicology,
Mult-Scale Toxicity Initiative; Center for Nanophase Materials Sciences;
Division of Scientific User Facilities, US Department of Energy; US DOE
[DE-AC05-00OR22725]
FX This research was supported by the B-FAST, Battelle Center for
Fundamental and Applied Systems Toxicology, Mult-Scale Toxicity
Initiative. STR would like to acknowledge funding from the Center for
Nanophase Materials Sciences, which is sponsored at Oak Ridge National
Laboratory by the Division of Scientific User Facilities, US Department
of Energy. This work was performed at the Oak Ridge National Laboratory,
managed by UT-Battelle, LLC, for the US DOE under Contract No.
DE-AC05-00OR22725.
NR 50
TC 45
Z9 45
U1 8
U2 77
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
EI 2040-3372
J9 NANOSCALE
JI Nanoscale
PY 2013
VL 5
IS 14
BP 6372
EP 6380
DI 10.1039/c3nr33280b
PG 9
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA 172OW
UT WOS:000321014900027
PM 23736871
ER
PT J
AU Liu, FQ
Wu, HM
Li, T
Grabstanowicz, LR
Amine, K
Xu, T
AF Liu, Fa-Qian
Wu, Huiming
Li, Tao
Grabstanowicz, Lauren R.
Amine, Khalil
Xu, Tao
TI Three-dimensional conducting oxide nanoarchitectures:
morphology-controllable synthesis, characterization, and applications in
lithium-ion batteries
SO NANOSCALE
LA English
DT Article
ID SENSITIZED SOLAR-CELLS; TIN OXIDE; HOLLOW SPHERES;
ELECTRICAL-CONDUCTIVITY; STANNOUS SALTS; HIGH-CAPACITY; THIN-FILMS;
TRANSPARENT; NANOPARTICLES; GRAPHENE
AB We report the synthesis, characterization and applications in Li-ion batteries of a set of 3-dimensional (3-D) nanostructured conducting oxides including fluorinated tin oxide (FTO) and aluminum zinc oxide (AZO). The morphology of these 3-D conducting oxide nanoarchitectures can be directed towards either mono-dispersed hollow nanobead matrix or mono-dispersed sponge-like nanoporous matrix by controlling the surface charge of the templating polystyrene (PS) nanobeads, the steric hindrance and hydrolysis rates of the precursors, pH of the solvents etc. during the evaporative co-assembly of the PS beads. These 3-D nanostructured conducting oxide matrices possess high surface area (over 100 m(2) g(-1)) and accessible interconnected pores extending in all three spatial dimensions. By optimizing the temperature profile during calcination, we can obtain large area (of a few cm(2)) and crack-free nanoarchitectured films with thickness over 60 mu m. As such, the sheet resistance of these nanoarchitectured films on FTO glass can reach below 20 Omega per square. The nanoarchitectured FTO electrodes were used as anodes in Li-ion batteries, and they showed an enhanced cycling performance and stability over pure SnO2.
C1 [Liu, Fa-Qian; Grabstanowicz, Lauren R.; Xu, Tao] No Illinois Univ, Dept Chem & Biochem, De Kalb, IL 60115 USA.
[Wu, Huiming; Amine, Khalil] Argonne Natl Lab, Argonne, IL 60439 USA.
[Li, Tao] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Xu, T (reprint author), No Illinois Univ, Dept Chem & Biochem, De Kalb, IL 60115 USA.
EM txu@niu.edu
RI Amine, Khalil/K-9344-2013; li, tao/K-8911-2012
OI li, tao/0000-0001-5454-1468
FU National Science Foundation [CBET-1150617]; U.S. Department of Energy,
Vehicle Technologies Office; U.S. Department of Energy by UChicago
Argonne, LLC [DE-AC02-06CH11357]; U.S. Department of Energy Office of
Science Laboratory by U of Chicago Argonne, LLC [DE-AC02-06CH11357]
FX TX acknowledges the support from the National Science Foundation
(CBET-1150617). The battery research at Argonne National Laboratory was
supported by U.S. Department of Energy, Vehicle Technologies Office.
Argonne National Laboratory is operated for the U.S. Department of
Energy by UChicago Argonne, LLC, under contract DE-AC02-06CH11357. The
electron microscopy study was conducted at the Electron Microscopy
Center for Materials Research at Argonne National Laboratory, a U.S.
Department of Energy Office of Science Laboratory operated under
Contract no. DE-AC02-06CH11357 by U of Chicago Argonne, LLC.
NR 44
TC 8
Z9 8
U1 13
U2 127
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
J9 NANOSCALE
JI Nanoscale
PY 2013
VL 5
IS 14
BP 6422
EP 6429
DI 10.1039/c3nr01844j
PG 8
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA 172OW
UT WOS:000321014900033
PM 23740404
ER
PT J
AU Puretzky, AA
Geohegan, DB
Pannala, S
Rouleau, CM
Regmi, M
Thonnard, N
Eres, G
AF Puretzky, Alexander A.
Geohegan, David B.
Pannala, Sreekanth
Rouleau, Christopher M.
Regmi, Murari
Thonnard, Norbert
Eres, Gyula
TI Real-time optical diagnostics of graphene growth induced by pulsed
chemical vapor deposition
SO NANOSCALE
LA English
DT Article
ID SITU RAMAN-SPECTROSCOPY; WALLED CARBON NANOTUBES; SINGLE-LAYER GRAPHENE;
LARGE-AREA; BILAYER GRAPHENE; HIGH-QUALITY; POLYCRYSTALLINE NI; FILMS;
CU; TEMPERATURE
AB The kinetics and mechanisms of graphene growth on Ni films at 720-880 degrees C have been measured using fast pulses of acetylene and real-time optical diagnostics. In situ UV-Raman spectroscopy was used to unambiguously detect isothermal graphene growth at high temperatures, measure the growth kinetics with similar to 1 s temporal resolution, and estimate the fractional precipitation upon cooldown. Optical reflectivity and videography provided much faster temporal resolution. Both the growth kinetics and the fractional isothermal precipitation were found to be governed by the C2H2 partial pressure in the CVD pulse for a given film thickness and temperature, with up to similar to 94% of graphene growth occurring isothermally within 1 second at 800 degrees C at high partial pressures. At lower partial pressures, isothermal graphene growth is shown to continue 10 seconds after the gas pulse. These flux-dependent growth kinetics are described in the context of a dissolution/precipitation model, where carbon rapidly dissolves into the Ni film and later precipitates driven by gradients in the chemical potential. The combination of pulsed-CVD and real-time optical diagnostics opens new opportunities to understand and control the fast, sub-second growth of graphene on various substrates at high temperatures.
C1 [Puretzky, Alexander A.; Geohegan, David B.; Pannala, Sreekanth; Rouleau, Christopher M.; Regmi, Murari; Thonnard, Norbert; Eres, Gyula] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Puretzky, AA (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN USA.
EM puretzkya@ornl.gov
RI Pannala, Sreekanth/F-9507-2010; Rouleau, Christopher/Q-2737-2015;
Puretzky, Alexander/B-5567-2016; Geohegan, David/D-3599-2013; Eres,
Gyula/C-4656-2017
OI Rouleau, Christopher/0000-0002-5488-3537; Puretzky,
Alexander/0000-0002-9996-4429; Geohegan, David/0000-0003-0273-3139;
Eres, Gyula/0000-0003-2690-5214
FU Materials Sciences and Engineering (MSE) Division, Office of Basic
Energy Sciences, U.S. Department of Energy; Scientific User Facilities
(SUF) Division, U.S. Department of Energy
FX Synthesis science sponsored by the Materials Sciences and Engineering
(MSE) Division, Office of Basic Energy Sciences, U.S. Department of
Energy. Characterization science including Raman spectroscopy and SEM
part of this research was conducted at the Center for Nanophase
Materials Sciences user facility, which is sponsored at Oak Ridge
National Laboratory by the Scientific User Facilities (SUF) Division,
U.S. Department of Energy.
NR 55
TC 8
Z9 8
U1 1
U2 43
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
J9 NANOSCALE
JI Nanoscale
PY 2013
VL 5
IS 14
BP 6507
EP 6517
DI 10.1039/c3nr01436c
PG 11
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA 172OW
UT WOS:000321014900044
PM 23752798
ER
PT J
AU Pettibone, JM
Osborn, WA
Rykaczewski, K
Talin, AA
Bonevich, JE
Hudgens, JW
Allendorf, MD
AF Pettibone, John M.
Osborn, William A.
Rykaczewski, Konrad
Talin, A. Alec
Bonevich, John E.
Hudgens, Jeffrey W.
Allendorf, Mark D.
TI Surface mediated assembly of small, metastable gold nanoclusters
SO NANOSCALE
LA English
DT Article
ID CO OXIDATION; CLUSTERS; SIZE; MONODISPERSE; IDENTIFICATION;
NANOPARTICLES; TEMPERATURE; REACTIVITY; DEPOSITION; CATALYSTS
AB The unique properties of metallic nanoclusters are attractive for numerous commercial and industrial applications but are generally less stable than nanocrystals. Thus, developing methodologies for stabilizing nanoclusters and retaining their enhanced functionality is of great interest. We report the assembly of PPh3-protected Au-9 clusters from a heterogeneous mixture into films consisting of sub 3 nm nanocluster assemblies. The depositing nanoclusters are metastable in solution, but the resulting nanocluster assemblies are stabilized indefinitely in air or fresh solvent. The films exhibit distinct structure from Au nanoparticles observed by X-ray diffraction, and film dissolution data support the preservation of small nanoclusters. UV-Vis spectroscopy, electrospray ionization mass spectrometry, X-ray photoelectron spectroscopy and electron microscopy are used to elucidate information regarding the nanocluster formation and assembly mechanism. Preferential deposition of nanocluster assemblies can be achieved on multiple substrates, including polymer, Cr, Si, SiO2, SiNx, and metal-organic frameworks (MOFs). Unlike other vapor phase coating processes, nanocluster assembly on the MIL-68(In) MOF crystal is capable of preferentially coating the external surface and stabilizing the crystal structure in hydrothermal conditions, which should enhance their storage, separation and delivery capabilities.
C1 [Pettibone, John M.; Osborn, William A.; Rykaczewski, Konrad; Bonevich, John E.; Hudgens, Jeffrey W.] NIST, Mat Measurement Lab, Gaithersburg, MD 20899 USA.
[Talin, A. Alec] NIST, Ctr Nanoscale Sci & Technol, Gaithersburg, MD 20899 USA.
[Allendorf, Mark D.] Sandia Natl Labs, Livermore, CA USA.
RP Pettibone, JM (reprint author), NIST, Mat Measurement Lab, Gaithersburg, MD 20899 USA.
EM john.pettibone@nist.gov
RI Osborn, Will/G-4526-2012
FU Sandia Laboratory Directed Research and Development Program; United
States Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX The authors thank K. Steffens for help with XPS measurements and M.
Martin for help synthesizing the gold nanoparticles. MDA was supported
by the Sandia Laboratory Directed Research and Development Program.
Sandia is a multiprogram laboratory operated by Sandia Corporation, a
Lockheed Martin Company, for the United States Department of Energy's
National Nuclear Security Administration under Contract
DE-AC04-94AL85000.
NR 41
TC 6
Z9 6
U1 14
U2 142
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
EI 2040-3372
J9 NANOSCALE
JI Nanoscale
PY 2013
VL 5
IS 14
BP 6558
EP 6566
DI 10.1039/c3nr01708g
PG 9
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA 172OW
UT WOS:000321014900051
PM 23759958
ER
PT S
AU Akl, TJ
Wilson, MA
Ericson, MN
Cote, GL
AF Akl, Tony J.
Wilson, Mark A.
Ericson, M. Nance
Cote, Gerard L.
BE Cote, GL
TI Optical Modeling toward Optimizing Monitoring of Intestinal Perfusion in
Trauma Patients
SO OPTICAL DIAGNOSTICS AND SENSING XIII: TOWARD POINT-OF-CARE DIAGNOSTICS
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Optical Diagnostics and Sensing XIII - Toward
Point-of-Care Diagnostics
CY FEB 06, 2013
CL San Francisco, CA
SP SPIE
DE Perfusion monitoring; Photoplethysmography; Trauma; Oximetry; Telemetry
ID TISSUE; RESUSCITATION; PENETRATION; DEPTH; SHOCK
AB Trauma is the number one cause of death for people between the ages 1 and 44 years in the United States. In addition, according to the Centers of Disease Control and Prevention, injury results in over 31 million emergency department visits annually. Minimizing the resuscitation period in major abdominal injuries increases survival rates by correcting impaired tissue oxygen delivery. Optimization of resuscitation requires a monitoring method to determine sufficient tissue oxygenation. Oxygenation can be assessed by determining the adequacy of tissue perfusion. In this work, we present the design of a wireless perfusion and oxygenation sensor based on photoplethysmography. Through optical modeling, the benefit of using the visible wavelengths 470, 525 and 590nm (around the 525nm hemoglobin isobestic point) for intestinal perfusion monitoring is compared to the typical near infrared (NIR) wavelengths (805nm isobestic point) used in such sensors. Specifically, NIR wavelengths penetrate through the thin intestinal wall (similar to 4mm) leading to high background signals. However, these visible wavelengths have two times shorter penetration depth that the NIR wavelengths. Monte-Carlo simulations show that the transmittance of the three selected wavelengths is lower by 5 orders of magnitude depending on the perfusion state. Due to the high absorbance of hemoglobin in the visible range, the perfusion signal carried by diffusely reflected light is also enhanced by an order of magnitude while oxygenation signal levels are maintained. In addition, short source-detector separations proved to be beneficial for limiting the probing depth to the thickness of the intestinal wall.
C1 [Akl, Tony J.; Cote, Gerard L.] Texas A&M Univ, Dept Biomed Engn, College Stn, TX 77843 USA.
[Wilson, Mark A.] Univ Pittsburgh, Dept Surg, Pittsburgh, PA 15260 USA.
[Wilson, Mark A.] VA Pittsburgh Healthcare Syst, Pittsburgh, PA 15260 USA.
[Cote, Gerard L.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Akl, TJ (reprint author), Texas A&M Univ, Dept Biomed Engn, College Stn, TX 77843 USA.
RI Ericson, Milton/H-9880-2016
OI Ericson, Milton/0000-0002-6628-4865
FU NIH [5R01-GM077150]
FX This research was funded by a bioengineering research partnership (BRP)
grant from NIH, (#5R01-GM077150).
NR 21
TC 0
Z9 0
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9360-6
J9 PROC SPIE
PY 2013
VL 8591
AR 859106
DI 10.1117/12.2003352
PG 6
WC Engineering, Biomedical; Optics
SC Engineering; Optics
GA BFX14
UT WOS:000321740300006
ER
PT J
AU Mitri, FG
AF Mitri, F. G.
TI Vector wave analysis of an electromagnetic high-order Bessel vortex beam
of fractional type alpha: II. The cases of standing and quasi-standing
waves
SO OPTIK
LA English
DT Article
DE Bessel beams; Diffraction theory; Electromagnetic optics; Optical laser
tweezers; (Quasi-)standing waves
ID DIELECTRIC SPHERE; SCATTERING
AB Stemming from the vector Maxwell's equations and Lorenz' gauge condition, a full vector-wave derivation for the electric and magnetic fields components of a high-order Bessel vortex beam of fractional type a (HOBVB-F alpha) is provided. The field corresponds to the most generalized case of quasi-standing waves that reduce to perfect (i.e. equi-amplitude) standing waves or progressive waves with appropriate choice of the quasi-standing wave coefficient Y. The results are of particular importance in the study of the optical/electromagnetic wave scattering, radiation force and torque in optical tweezers operating with this fractional type of non-diffracting vortex beams. (C) 2012 Elsevier GmbH. All rights reserved.
C1 Los Alamos Natl Lab, Acoust & Sensors Technol Team, MPA 11, Los Alamos, NM 87545 USA.
RP Mitri, FG (reprint author), Los Alamos Natl Lab, Acoust & Sensors Technol Team, MPA 11, MS D429, Los Alamos, NM 87545 USA.
EM mitri@lanl.gov
FU Los Alamos National Laboratory (LDRD-X9N9) [20100595PRD1]
FX The financial support provided through a Director's fellowship
(LDRD-X9N9, Project # 20100595PRD1) from the Los Alamos National
Laboratory is gratefully acknowledged.
NR 17
TC 6
Z9 6
U1 0
U2 4
PU ELSEVIER GMBH, URBAN & FISCHER VERLAG
PI JENA
PA OFFICE JENA, P O BOX 100537, 07705 JENA, GERMANY
SN 0030-4026
J9 OPTIK
JI Optik
PY 2013
VL 124
IS 13
BP 1469
EP 1471
DI 10.1016/j.ijleo.2012.04.024
PG 3
WC Optics
SC Optics
GA 173PG
UT WOS:000321090800020
ER
PT S
AU Schunck, N
AF Schunck, Nicolas
GP IOP
TI Microscopic description of induced fission
SO 10TH INTERNATIONAL CONFERENCE ON CLUSTERING ASPECTS OF NUCLEAR STRUCTURE
AND DYNAMICS (CLUSTER'12)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 10th International Conference on Clustering Aspects of Nuclear Structure
and Dynamics (CLUSTER)
CY SEP 24-28, 2012
CL MTA Inst Nucl Res, Debrecen, HUNGARY
SP Hungarian Acad Sci, Paks Nucl Power Ltd, HMP Log Ltd, Int Workshop Theoret Phys, Univ Debrecen
HO MTA Inst Nucl Res
AB Selected aspects of the description of neutron-induced fission in Pu-240 in the framework of the nuclear energy density functional theory at finite temperature are presented. In particular, we discuss aspects pertaining to the choice of thermodynamic state variables, the evolution of fission barriers as function of the incident neutron energy, and the temperatures of the fission fragments.
C1 Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94551 USA.
RP Schunck, N (reprint author), Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94551 USA.
EM schunck1@llnl.gov
OI Schunck, Nicolas/0000-0002-9203-6849
NR 15
TC 6
Z9 6
U1 0
U2 4
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 436
AR UNSP 012058
DI 10.1088/1742-6596/436/1/012058
PG 5
WC Physics, Multidisciplinary; Physics, Nuclear
SC Physics
GA BFK64
UT WOS:000320267700057
ER
PT S
AU Bahrdt, J
Ivanyushenkov, Y
AF Bahrdt, J.
Ivanyushenkov, Y.
BE Susini, J
Dumas, P
TI Short Period Undulators for Storage Rings and Free Electron Lasers
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
ID SUPERCONDUCTING UNDULATOR; FIELD; FABRICATION
AB Short period undulators have the potential to enhance the spectral performance of synchrotron radiation sources significantly. These devices open the range of brilliant hard X-rays at medium energy storage rings, their implementation may reduce the facility length of linac based FELs and they are an essential prerequisite for laser plasma accelerator based FELs. The development of cryogenic permanent magnet undulators has started and the first devices, employing period lengths around 18mm, have been installed in 3rd generation storage rings. Ambitious magnet designs permit even smaller period lengths which improve their performance further. The paper discusses the performance of cryogenic permanent magnet undulators in comparison with superconducting undulators.
C1 [Bahrdt, J.] Helmholtzzentrum Berlin Mat & Energie, Glienicker Str 100, D-14109 Berlin, Germany.
[Ivanyushenkov, Y.] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Bahrdt, J (reprint author), Helmholtzzentrum Berlin Mat & Energie, Glienicker Str 100, D-14109 Berlin, Germany.
EM Johannes.Bahrdt@helmholtz-berlin.de
NR 41
TC 5
Z9 5
U1 0
U2 8
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 032001
DI 10.1088/1742-6596/425/3/032001
PG 6
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700026
ER
PT S
AU Benson, SV
Douglas, DR
Evtushenko, P
Hannon, FE
Hernandez-Garcia, C
Klopf, JM
Legg, RA
Neil, GR
Shinn, MD
Tennant, CD
Zhang, S
Williams, GP
AF Benson, S. V.
Douglas, D. R.
Evtushenko, P.
Hannon, F. E.
Hernandez-Garcia, C.
Klopf, J. M.
Legg, R. A.
Neil, G. R.
Shinn, M. D.
Tennant, C. D.
Zhang, S.
Williams, G. P.
BE Susini, J
Dumas, P
TI Photon Source Capabilities of the Jefferson Lab FEL
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB Jefferson Lab operates a superconducting energy recovered linac which is operated with CW RF and which powers oscillator-based IR and UV Free-Electron Lasers (FELs) with diffraction limited sub-picosecond pulses with >10(13) photons per pulse (1.0%BW) at pulse repetition frequencies up to 75 MHz. Useful harmonics extend into the vacuum ultraviolet (VUV). Based on FEL model calculations validated using this facility, we have designed both an oscillator-based VUV-FEL that would produce 6 x 10(12) coherent (0.5% BW) 100 eV photons per pulse at multi-MHz repetition rates in the fundamental, and a dual FEL configuration that would allow simultaneous lasing lasing at THz and UV wavelengths. The VUV-FEL would utilize a novel high gain, low Q cavity, while the THz source would be an FEL oscillator with a short wiggler providing diffraction limited pulses with pulse energy exceeding 50 microJoules. The THz source would use the exhaust beam from a UV FEL. Such multiphoton capabilities would provide unique opportunities for out of equilibrium dynamical studies at time-scales down to 50 fs. The fully coherent nature of all these sources results in peak and average brightness values that are many orders of magnitude higher than storage rings.
C1 [Benson, S. V.; Douglas, D. R.; Evtushenko, P.; Hannon, F. E.; Hernandez-Garcia, C.; Klopf, J. M.; Legg, R. A.; Neil, G. R.; Shinn, M. D.; Tennant, C. D.; Zhang, S.; Williams, G. P.] Jefferson Lab, Newport News, VA 23606 USA.
RP Benson, SV (reprint author), Jefferson Lab, 12000 Jefferson Ave, Newport News, VA 23606 USA.
EM gwyn@jlab.org
NR 7
TC 1
Z9 1
U1 1
U2 8
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 072002
DI 10.1088/1742-6596/425/7/072002
PG 5
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700120
ER
PT S
AU Borland, M
AF Borland, M.
BE Susini, J
Dumas, P
TI Progress Toward an Ultimate Storage Ring Light Source
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB Developments such as the low emittance NSLS-II storage ring, followed by the even lower emittance MAX IV ring, indicate that the technology of storage ring light sources has not reached full maturity. Indeed, these new sources are paving the way toward realizing diffraction-limited angstrom-wavelength storage ring light sources in the not-too-distant future. In this paper, we survey ongoing work around the world to develop concepts and designs for so-called "ultimate" storage ring light sources. Several of these designs target horizontal emittances that are two or more orders of magnitude less than present machines, and thus brightness and coherent fraction that is several orders of magnitude better than existing storage ring light sources.
C1 Argonne Natl Lab, Argonne, IL 60439 USA.
RP Borland, M (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM borland@aps.anl.gov
NR 35
TC 13
Z9 13
U1 1
U2 15
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 042016
DI 10.1088/1742-6596/425/4/042016
PG 6
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700065
ER
PT S
AU Cai, YQ
Coburn, DS
Cunsolo, A
Keister, JW
Honnicke, MG
Huang, XR
Kodituwakku, CN
Stetsko, Y
Suvorov, A
Hiraoka, N
Tsuei, KD
Wille, HC
AF Cai, Yong Q.
Coburn, D. S.
Cunsolo, A.
Keister, J. W.
Honnicke, M. G.
Huang, X. R.
Kodituwakku, C. N.
Stetsko, Y.
Suvorov, A.
Hiraoka, N.
Tsuei, K. D.
Wille, H. C.
BE Susini, J
Dumas, P
TI The Ultrahigh Resolution IXS Beamline of NSLS-II: Recent Advances and
Scientific Opportunities
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
ID GRADED MULTILAYER MIRROR; MONOCHROMATOR
AB The ultrahigh resolution IXS beamline of NSLS-II is designed to probe a region of dynamic response that requires an ultrahigh energy and momentum resolution of up to 0.1 meV and < 0.1 nm(-1), respectively, which is currently still beyond the reach of existing low and high frequency inelastic scattering probes. Recent advances at NSLS-II in developing the required x-ray optics and instrumentation based on the use of extremely asymmetric Bragg back reflections of Si have allowed us to achieve sub-meV energy resolution with sharp tails and high efficiency at a medium energy of around 9.1 keV, thereby validating the optical design of the beamline for the baseline scope and paving the way for further development towards the ultimate goal of 0.1 meV. The IXS beamline is expected to provide a broad range of scientific opportunities, particularly in areas of liquid, disordered and bio-molecular systems.
C1 [Cai, Yong Q.; Coburn, D. S.; Cunsolo, A.; Keister, J. W.; Honnicke, M. G.; Huang, X. R.; Kodituwakku, C. N.; Stetsko, Y.; Suvorov, A.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Wille, H. C.] Deutsches Elektronen Synchrotron, PETRA 3, D-22607 Hamburg, Germany.
[Tsuei, K. D.] Natl Synchrotron Radiat Res Ctr, Hsinchu 30076, Taiwan.
RP Cai, YQ (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM cai@bnl.gov
RI Cai, Yong/C-5036-2008; Honnicke, Marcelo/I-8624-2012
OI Cai, Yong/0000-0002-9957-6426;
FU JASRI [2011A4262]; NSRRC [2011-1-002]; U.S. Department of Energy, Office
of Basic Energy Science, [DE-AC02-98CH10886]
FX We are grateful to Q. Shen and T. Ishikawa for support and encouragement
throughout the project. We are indebted to A. Kuczewski and D.P. Siddons
for support in detectors, D. Chabot and K. Gofron in controls, L. Reffi
in mechanical design of the prototype instrument, W. Struble and R.
Conley in crystal optics fabrication, and H. Yavas, F.U. Dill (PETRA
III) and Y. Kohmura (SPring-8) for experimental support. M. Krisch
(ESRF), A. Baron (SPring-8) and Yu. Shvyd'ko (APS) are acknowledged for
providing the performance data for their respective facilities in Table
1. We thank members of the Beamline Advisory Team including C. Burns,
S.H. Chen, J. Hill, M. Krisch, H.K. Mao, T. Scopigno, S. Shapiro and Yu.
Shvyd'ko for their valuable contributions to the project. W. Sturhahn,
T. Toellner and D. Shu are acknowledged for stimulating discussions.
Experiments at BL12XU/SPring-8 were performed under the approvals from
JASRI (No. 2011A4262) and NSRRC (No. 2011-1-002). This work was
supported by the U.S. Department of Energy, Office of Basic Energy
Science, under Contract No. DE-AC02-98CH10886.
NR 14
TC 16
Z9 16
U1 0
U2 13
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 202001
DI 10.1088/1742-6596/425/20/202001
PG 7
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700271
ER
PT S
AU Canestrari, N
Chubar, O
del Rio, MS
AF Canestrari, Niccolo
Chubar, Oleg
del Rio, Manuel Sanchez
BE Susini, J
Dumas, P
TI Improved models for synchrotron radiation sources in SHADOW
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB A technique to improve the description of synchrotron sources is proposed and applied to the ray tracing code SHADOW. Using a dedicated synchrotron radiation calculation code, it is possible to calculate the single electron emission, as well as the thick electron beam emission. Two methods will be introduced. The first simulates synchrotron radiation using the spatial electron distribution for the positions of the rays and the thick electron beam spectral-angular distribution in the far field for their directions and their energies. The second method derives the variation of the single electron spectral-angular distribution with respect to the electron direction and the electron energy, and simulates the rays emitted by each electron. A preprocessor for SHADOW has been developed to read the intensity distribution from an HDF5 file generated by SRW. The final rays have been used to simulate future beamlines and have been cross checked with the wavefront propagation method.
C1 [Canestrari, Niccolo; Chubar, Oleg] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Canestrari, Niccolo; del Rio, Manuel Sanchez] European Synchrotron Radiat Fac, Grenoble, France.
RP Canestrari, N (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM ncanestrari@bnl.gov
RI Chubar, Oleg/B-6286-2014
FU National Laboratory Research Scholar Program [P-1-01957, 8668704];
European Synchrotron Radiation Facility; University Joseph Fourier in
Grenoble
FX The present work has been finaced by the Brookhaven National Laboratory
Research Scholar Program grant P-1-01957 No. 8668704, and was made in
collaboration with the European Synchrotron Radiation Facility and the
University Joseph Fourier in Grenoble.
NR 4
TC 1
Z9 1
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 162007
DI 10.1088/1742-6596/425/16/162007
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700229
ER
PT S
AU Chubar, O
Fluerasu, A
Berman, L
Kaznatcheev, K
Wiegart, L
AF Chubar, O.
Fluerasu, A.
Berman, L.
Kaznatcheev, K.
Wiegart, L.
BE Susini, J
Dumas, P
TI Wavefront propagation simulations for beamlines and experiments with
"Synchrotron Radiation Workshop"
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
ID INFRARED BEAMLINE; FACILITY SOLEIL; COMPUTATION; CODE; FEL
AB An overview of the basic principles, the approach to fully- and partially-coherent synchrotron radiation wavefront propagation simulations, implemented in the "Synchrotron Radiation Workshop" (SRW) computer code, and simulation examples for different types of sources, including undulator and wiggler, different beamlines and experiments, are presented. Recent developments, such as the support of parallel calculations, which considerably increase the efficiency of partially-coherent wavefront propagation calculations, are described.
C1 [Chubar, O.; Fluerasu, A.; Berman, L.; Kaznatcheev, K.; Wiegart, L.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
RP Chubar, O (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
EM chubar@bnl.gov
RI Chubar, Oleg/B-6286-2014
NR 24
TC 8
Z9 9
U1 1
U2 13
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 162001
DI 10.1088/1742-6596/425/16/162001
PG 6
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700223
ER
PT S
AU Chubar, O
Fluerasu, A
Chu, YS
Berman, L
Wiegart, L
Lee, WK
Baltser, J
AF Chubar, O.
Fluerasu, A.
Chu, Y. S.
Berman, L.
Wiegart, L.
Lee, W-K
Baltser, J.
BE Susini, J
Dumas, P
TI Experimental characterization of X-ray transverse coherence in the
presence of beam transport optics
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
ID SYNCHROTRON-RADIATION
AB A simple Boron fiber based interference scheme [1] and other similar schemes are currently routinely used for X-ray coherence estimation at 3rd generation synchrotron radiation sources. If such a scheme is applied after a perfect monochromator and without any focusing/transport optics in the optical path, the interpretation of the measured interference pattern is relatively straightforward and can be done in terms of the basic parameters of the source [2]. However, if the interference scheme is used after some focusing optics, e. g. close to the X-ray beam waist, the visibility of fringes can be significantly affected by the new shape of the focused beam phase-space. At the same time, optical element imperfections still have a negative impact on the transverse coherence. In such situations, which are frequently encountered in experiments at beamlines, the quantitative interpretation of a measured interference pattern is not straightforward. Here we show that this can nevertheless be done by using partially-coherent synchrotron radiation wavefront propagation simulations. The results obtained from measurements, performed at the 32-ID undulator beamline of the Advanced Photon Source, and wavefront propagation based simulations show, in particular, that new generation 1D Beryllium Compound Refractive Lenses [3, 4] do not reduce the X-ray transverse coherence in any significant manner.
C1 [Chubar, O.; Fluerasu, A.; Chu, Y. S.; Berman, L.; Wiegart, L.; Lee, W-K] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
[Baltser, J.] Univ Copenhagen, Niels Bohr Inst, DK-1168 Copenhagen, Denmark.
RP Chubar, O (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
EM chubar@bnl.gov
RI Chubar, Oleg/B-6286-2014
FU US DOE [DE-AC02-98CH10886, DE-AC02-06CH11357]
FX This work has been supported by US DOE, Contract No. DE-AC02-98CH10886
and the use of Advanced Photon Source is supported by US DOE Contract
No. DE-AC02-06CH11357.
NR 13
TC 3
Z9 3
U1 0
U2 5
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 052028
DI 10.1088/1742-6596/425/5/052028
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700096
ER
PT S
AU Chubar, O
Bengtsson, J
Blednykh, A
Kitegi, C
Rakowsky, G
Tanabe, T
Clarke, J
AF Chubar, O.
Bengtsson, J.
Blednykh, A.
Kitegi, C.
Rakowsky, G.
Tanabe, T.
Clarke, J.
BE Susini, J
Dumas, P
TI Segmented Adaptive-Gap In-Vacuum Undulators - Potential Solution for
Beamlines Requiring High Hard X-Ray Flux and Brightness in Medium Energy
Synchrotron Sources?
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB We propose an approach to the optimization of segmented in-vacuum undulators, in which different segments along an undulator may have different gaps and periods. This enables close matching between the gaps and the vertical "envelope" of electron beam motion in a storage ring straight section (carefully satisfying the associated vertical "stay clear" constraint) and, at the same time, precise tuning of all the segments to the same fundamental photon energy. Placing together undulator segments with different periods may introduce small kicks to electron trajectories at the segment junctions, which can be easily compensated, without introducing any significant radiation phase error, by active correction magnets or by special design of terminating magnets in the segments. Thanks to this, the entire multi-segment structure can operate as one long undulator. On the other hand, since the vertical gaps in segments located close to straight section center can be smaller than at extremities, such structure can offer better magnetic performance, compared to the case of a standard undulator with constant gap (and period) over its length. We present magnetic field, radiation flux and brightness calculation results for such segmented adaptive-gap in-vacuum undulators if used in low-beta straight sections of NSLS-II, and demonstrate their gain in spectral performance, especially in hard X-ray range, over standard room-temperature and even cryo-cooled in-vacuum undulators.
C1 [Chubar, O.; Bengtsson, J.; Blednykh, A.; Kitegi, C.; Rakowsky, G.; Tanabe, T.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
[Clarke, J.] ASTeC, STFC, Daresbury Lab, Warrington, Cheshire, England.
RP Chubar, O (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
EM chubar@bnl.gov
RI Chubar, Oleg/B-6286-2014
FU US DOE [DE-AC02-98CH10886]
FX We would also like to thank S. Dierker and F. Willeke for
encouragement.; Work supported by US DOE, Contract No.
DE-AC02-98CH10886.
NR 11
TC 1
Z9 1
U1 0
U2 7
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 032005
DI 10.1088/1742-6596/425/3/032005
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700030
ER
PT S
AU Fayard, B
Pouyet, E
Berruyer, G
Bugnazet, D
Cornu, C
Cotte, M
De Andrade, V
Di Chiaro, F
Hignette, O
Kieffer, J
Martin, T
Papillon, E
Salome, M
Sole, VA
AF Fayard, B.
Pouyet, E.
Berruyer, G.
Bugnazet, D.
Cornu, C.
Cotte, M.
De Andrade, V.
Di Chiaro, F.
Hignette, O.
Kieffer, J.
Martin, T.
Papillon, E.
Salome, M.
Sole, V. A.
BE Susini, J
Dumas, P
TI The new ID21 XANES full-field end-station at ESRF
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB A new X-ray absorption near-edge spectroscopy (XANES) full-field imaging station has been developed, installed and tested on beamline ID21 at the European Synchrotron Radiation Facility (ESRF). The set-up operates in the 2-9 keV energy range and allows for the simultaneous acquisition of up to 4.10(6) XANES spectra over large sample areas with preserved sub-micron spatial resolution. The versatile set-up is compatible with various types of cameras and magnifying objectives. It accommodates spatial resolutions ranging from 0.3 mu m to 1.4 mu m and fields of view from 600 mu m up to 2 mm. The range of potential applications is broad: from geology, cultural heritage, environmental sciences to medicine.
C1 [Fayard, B.] Univ Paris 11, UMR CNRS 8502, Lab Phys Solides, Bat 510, F-91405 Orsay, France.
[Fayard, B.; Pouyet, E.; Berruyer, G.; Bugnazet, D.; Cornu, C.; Cotte, M.; Di Chiaro, F.; Hignette, O.; Kieffer, J.; Martin, T.; Papillon, E.; Salome, M.] European Synchrotron Radiat Fac, F-38043 Grenoble, France.
[De Andrade, V.] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA.
[Di Chiaro, F.] Inst Laue Langevin, F-38042 Grenoble 9, France.
RP Fayard, B (reprint author), Univ Paris 11, UMR CNRS 8502, Lab Phys Solides, Bat 510, F-91405 Orsay, France.
EM barbara.fayard@u-psud.fr
NR 6
TC 17
Z9 17
U1 1
U2 16
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 192001
DI 10.1088/1742-6596/425/19/192001
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700246
ER
PT S
AU Feng, Y
Zhu, D
Lemke, H
Chollet, M
Fritz, DM
Robert, A
Hastings, JB
Feldkamp, M
Cammarata, M
Moeller, S
Yabashi, M
Tono, K
Huang, X
AF Feng, Y.
Zhu, D.
Lemke, H.
Chollet, M.
Fritz, D. M.
Robert, A.
Hastings, J. B.
Feldkamp, M.
Cammarata, M.
Moeller, S.
Yabashi, M.
Tono, K.
Huang, X.
BE Susini, J
Dumas, P
TI Experimental Measurements of Ultra-Thin Bragg Crystals for LCLS
Beam-Sharing Operation
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB The successful lasing and operation of the LCLS hard X-ray FEL has brought tremendous interest to the user community spanning a wide range of scientific disciplines including physics, chemistry, structural biology, and material science. It created demand on beam time that is often left unfulfilled. Here we report experimental measurements of ultra-thin silicon single-crystal membranes for potentially beam-sharing the LCLS beam. The samples included the (111), (220), and (400) orientations with thicknesses ranging from 5 to 20 m. Both high-resolution rocking curves and topographic data were first obtained using synchrotron X-rays, demonstrating near ideal diffraction qualities. Subsequent tests using the full LCLS beam revealed lattice distortions from beam-induced membrane vibrations, which were shown to be effectively reduced by ambient air and smaller membrane dimensions. High diffraction quality thin-diamonds in the (111) orientation are also being pursued as a parallel effort. Both approaches are paving a way for a practical beam-sharing implementation at LCLS in the near future.
C1 [Feng, Y.; Zhu, D.; Lemke, H.; Chollet, M.; Fritz, D. M.; Robert, A.; Hastings, J. B.; Feldkamp, M.; Cammarata, M.; Moeller, S.] SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA.
[Yabashi, M.; Tono, K.] RIKEN, SPring 8, Mikazuki, Hyogo 6795148, Japan.
[Huang, X.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Feng, Y (reprint author), SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA.
EM yfeng@SLAC.stanford.edu
RI Zhu, Diling/D-1302-2013; Lemke, Henrik Till/N-7419-2016
OI Lemke, Henrik Till/0000-0003-1577-8643
FU Linac Coherent Light Source (LCLS) at SLAC National Accelerator
Laboratory; U.S. Department of Energy Office of Science by Stanford
University
FX Y Feng wishes to give special thanks to SSRL staff members C. Knotts, B.
Johnson and T. Hostetler for their continuing support. Portions of this
research were carried out at the Linac Coherent Light Source (LCLS) at
SLAC National Accelerator Laboratory. LCLS is an Office of Science User
Facility operated for the U.S. Department of Energy Office of Science by
Stanford University.
NR 2
TC 5
Z9 5
U1 1
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 052002
DI 10.1088/1742-6596/425/5/052002
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700070
ER
PT S
AU Ilinski, P
AF Ilinski, P.
BE Susini, J
Dumas, P
TI Optimization of NSLS-II Blade X-ray Beam Position Monitors: from
Photoemission type to Diamond Detector
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB Optimization of blade type X-ray Beam Position Monitors (XBPM) was performed for NSLS-II undulator IVU20. Blade material, configuration and operation principle was analyzed to improve XBPM performance. Optimization is based on calculation of the XBPM signal spatial distribution. Along with standard photoemission blades, Diamond Detector Blade (DDB) was analyzed as XBPM signal source. Analyses revealed, that Diamond Detector Blade XBPM would allow overcoming drawbacks of the photoemission type XBPMs.
C1 Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Ilinski, P (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM pilinski@bnl.gov
NR 3
TC 1
Z9 1
U1 0
U2 3
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 042006
DI 10.1088/1742-6596/425/4/042006
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700055
ER
PT S
AU Ivanyushenkov, Y
Abliz, M
Doose, C
Fuerst, J
Hasse, Q
Kasa, M
Lev, V
Mezentsev, N
Syrovatin, V
Trakhtenberg, E
Tsukanov, V
Vasserman, I
Gluskin, E
AF Ivanyushenkov, Y.
Abliz, M.
Doose, C.
Fuerst, J.
Hasse, Q.
Kasa, M.
Lev, V.
Mezentsev, N.
Syrovatin, V.
Trakhtenberg, E.
Tsukanov, V.
Vasserman, I.
Gluskin, E.
BE Susini, J
Dumas, P
TI Development of a superconducting undulator for the APS
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB As the western hemisphere's premier x-ray synchrotron radiation source, the Advanced Photon Source (APS) continues to advance the state of the art in insertion device technology in order to maintain record high brightness, especially in the hard x-ray wavelength region. Due to the unique bunch pattern used for normal APS operations and its ultimate capabilities, the APS has chosen superconducting technology for its future hard x-ray undulator sources. In the last several years, the APS in collaboration with the Budker Institute of Nuclear Physics has being developing the technology for planar, small-period superconducting undulators (SCUs). These developments include the design and construction of several prototypes and the construction of the necessary mechanical, vacuum, and cryogenic infrastructure at the APS site. Several prototypes of the SCU magnetic structure have been built and tested. The first SCU is assembled and will be installed in the APS storage ring at the end of 2012. Expected SCU performance in terms of x-ray brightness should noticeably exceed that of existing APS undulators. Immediately after commissioning, the SCU will be used at APS Sector 6 as the radiation source for high-energy x-ray studies.
C1 [Ivanyushenkov, Y.; Abliz, M.; Doose, C.; Fuerst, J.; Hasse, Q.; Kasa, M.; Trakhtenberg, E.; Vasserman, I.; Gluskin, E.] Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 40439 USA.
[Lev, V.; Mezentsev, N.; Syrovatin, V.; Tsukanov, V.] Budker Inst Nucl Phys, Novosibirsk 630090, Russia.
RP Ivanyushenkov, Y (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 40439 USA.
EM yury@aps.anl.gov
FU U.S. Department of Energy, Office of Science [DE-AC02-06CH11357]
FX The authors are thankful to the technical staff from Magnetic Device,
Survey and Alignment, Vacuum Systems and Design and Drafting Groups of
the Advanced Photon Source for their significant contributions to the
success of the project. The work at Argonne was supported by the U.S.
Department of Energy, Office of Science, under Contract No.
DE-AC02-06CH11357.
NR 3
TC 3
Z9 3
U1 1
U2 6
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 032007
DI 10.1088/1742-6596/425/3/032007
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700032
ER
PT S
AU Kaznatcheev, K
Chubar, O
Keister, JW
Idir, M
AF Kaznatcheev, K.
Chubar, O.
Keister, J. W.
Idir, M.
BE Susini, J
Dumas, P
TI Optical design of the NSLS-II metrology beamline
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
ID RAY; RESOLUTION
AB The article describes the optical design of the NSLS-II test beamline, dedicated to at-wavelength metrology, in situ surface figuring, crystal optics, radiometry, detectors and instrumentation testing. A key aspect of the beamline design is configuration flexibility, providing as wide as possible range of photon energy, beam size, and divergence, including the optimum trading of SR flux to a required degree of coherence. For this application we propose to use the chromatic properties of compound refractive lens (for hard x-ray) or zone plate (for soft x-ray) to provide band-pass energy filtering and variable spatial coherence. Using such a scheme, it is possible to efficiently vary the transverse coherence from 10 mu m to 10 mm at similar to 1% monochromaticity. The flux extracted permits real-time phase imaging and at-wavelength metrology, even at the bending magnet beamline.
C1 [Kaznatcheev, K.; Chubar, O.; Keister, J. W.; Idir, M.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
RP Kaznatcheev, K (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
EM kaznatch@bnl.gov
RI Chubar, Oleg/B-6286-2014
NR 13
TC 0
Z9 0
U1 0
U2 4
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 162009
DI 10.1088/1742-6596/425/16/162009
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700231
ER
PT S
AU Keister, JW
Suvorov, A
Coburn, DS
Cunsolo, A
Kodituwakku, CN
Stetsko, Y
Cai, YQ
AF Keister, J. W.
Suvorov, A.
Coburn, D. S.
Cunsolo, A.
Kodituwakku, C. N.
Stetsko, Y.
Cai, Y. Q.
BE Susini, J
Dumas, P
TI Realizing an Analyzer Instrument for Medium-energy Sub-meV IXS
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB For the past few years, silicon (800) asymmetric back-diffraction at 9.13 keV has been investigated for use in inelastic x-ray scattering (IXS) analyzer with <1 meV resolution and > 100 mu rad acceptance. While the basic principles have been described and proven, attractive results have become consistently achievable only recently, with particular attention paid to key execution details, including crystal quality (substrate purity, orientation, surface flatness and strain), positioning (resolution, repeatability, and stability of critical axes), thermal environment stability and control, and x-ray diagnostics. While methods for positioning, diagnostics, and thermal stabilization have been refined in our work, crystal quality remains a critical limitation of ultimate performance. An overview of the implementation details is provided in the context of prototype x-ray beam test results collected in preparation for final design of the analyzer instrument to be incorporated into the IXS beamline of NSLS-II.
C1 [Keister, J. W.; Suvorov, A.; Coburn, D. S.; Cunsolo, A.; Kodituwakku, C. N.; Stetsko, Y.; Cai, Y. Q.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
RP Keister, JW (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
EM jkeister@bnl.gov
RI Cai, Yong/C-5036-2008
OI Cai, Yong/0000-0002-9957-6426
NR 5
TC 2
Z9 2
U1 0
U2 3
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 052032
DI 10.1088/1742-6596/425/5/052032
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700100
ER
PT S
AU Khounsary, A
Kenesei, P
Collins, J
Navrotski, G
Nudell, J
AF Khounsary, A.
Kenesei, P.
Collins, J.
Navrotski, G.
Nudell, J.
BE Susini, J
Dumas, P
TI High Energy X-ray Micro-tomography for the characterization of thermally
fatigued GlidCop specimen
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
ID MICROTOMOGRAPHY
AB The expected increases in the thermal power of X-ray beams produced at the third-generation synchrotron radiation facilities may exceed the heat-load capabilities of the existing high-heat-load components with which the beams interact. An X-ray beam shutter is an example of such components. Typically made of GlidCop, it is used, as needed, to block the X-ray beam from entering the experimental area. Analyses show that the planned 50% increase in storage ring beam current (and thus beam heat load) at the Advanced Photon Source (APS) will result in plastic strain in the shutter limiting its operational life. In order to develop a predictive model to estimate the number of cycles to failure, cooled GlidCop samples were thermally cycled 10,000 times under the high heat load of an X-ray beam from two inline APS undulators. Samples are examined for cracks, and crack size information is extracted for use in the model. In this paper, following some introductory remarks, we report on the characterization of the micron-size fatigue cracks in a sample GlidCop using high-energy X-ray absorption and phase-contrast tomography. It is shown that the current set up at beamline 1-ID at the APS is capable of nondestructive reconstruction of internal structure of the fatigued part with a resolution of 3 mu m, which may further be improved to about 1 mu m.
C1 [Khounsary, A.; Kenesei, P.; Collins, J.; Navrotski, G.; Nudell, J.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Khounsary, A (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
EM amk@aps.anl.gov
NR 15
TC 2
Z9 2
U1 0
U2 2
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 212015
DI 10.1088/1742-6596/425/21/212015
PG 7
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700297
ER
PT S
AU Kujala, NG
Macrander, AT
Ramanathan, M
Dufresne, EM
Navrotski, G
Marathe, S
Assoufid, L
Mills, DM
Mancini, DC
AF Kujala, N. G.
Macrander, A. T.
Ramanathan, M.
Dufresne, E. M.
Navrotski, G.
Marathe, S.
Assoufid, L.
Mills, D. M.
Mancini, D. C.
BE Susini, J
Dumas, P
TI High-heat-load studies of cryogenically internally cooled silicon double
crystal monochromator above and away from cooling channels
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
DE High-heat-load optics; X-ray silicon crystal monochromator; X-ray
optics; cryogenic cooling
AB High-heat-load studies on Si double crystal monochromator that is internally cooled with liquid nitrogen flow were performed as APS-Upgrade planned to increase ring current to 150 mA. The monochromator consists of two separated Si crystals with diffraction surfaces oriented along (111), diffracting vertically to produce a fixed 35 mm beam offset. Rocking curves were measured for the beam footprint on the first crystal lying both above and away from cooling channels. The beam was produced by two collinear APS undulators type A, each 2.4 m long with 3.3 cm period. Most of the data were obtained for a monochromator set to Bragg diffract at 8 keV for the Si (111) reflection. Through the use of aluminium filters between two sequential ion chambers, we also measured the Si (333) reflection diffracting at 24 keV. We measured the FWHM of rocking curves with either one or both undulators tuned so that the energy of the 1st harmonic matched the Si (111) Bragg energy. Our results show sensitivity to the distance between the beam footprint above and away from cooling channels under high power conditions.
C1 [Kujala, N. G.; Macrander, A. T.; Ramanathan, M.; Dufresne, E. M.; Navrotski, G.; Marathe, S.; Assoufid, L.; Mills, D. M.; Mancini, D. C.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Kujala, NG (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
EM kujala@aps.anl.gov
NR 7
TC 0
Z9 0
U1 0
U2 4
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 052006
DI 10.1088/1742-6596/425/5/052006
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700074
ER
PT S
AU Laundy, D
Sutter, JP
Wagner, UH
Rau, C
Thomas, CA
Sawhney, KJS
Chubar, O
AF Laundy, D.
Sutter, J. P.
Wagner, U. H.
Rau, C.
Thomas, C. A.
Sawhney, K. J. S.
Chubar, O.
BE Susini, J
Dumas, P
TI Parallel simulations of partially coherent wave front propagation from a
finite emittance electron beam
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB Hard X-ray undulator radiation at 3rd generation storage rings falls between the geometrical and the fully coherent limit. This is a result of the small but finite emittance of the electron beam source and means that the radiation cannot be completely modelled by incoherent ray tracing or by fully coherent wave propagation. We have developed using the wavefront propagation code Synchrotron Radiation Workshop (SRW) running in a Python environment, a parallel computer program using the Monte Carlo method for modelling the partially coherent emission from electron beam sources taking into account the finite emittance of the source. Using a parallel computing cluster with in excess of 500 cores and each core calculating the wavefront from in excess of a 1000 electrons, a source containing millions of electrons could be simulated. We have applied this method to the Diamond X-ray Imaging and Coherence beamline (113).
C1 [Laundy, D.; Sutter, J. P.; Wagner, U. H.; Rau, C.; Thomas, C. A.; Sawhney, K. J. S.] Diamond Light Source, Harwell Sci & Innovat Campus, Didcot OX11 0DE, Oxon, England.
[Chubar, O.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
RP Laundy, D (reprint author), Diamond Light Source, Harwell Sci & Innovat Campus, Didcot OX11 0DE, Oxon, England.
EM david.laundy@diamond.ac.uk
RI Chubar, Oleg/B-6286-2014
NR 6
TC 2
Z9 2
U1 0
U2 4
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 162002
DI 10.1088/1742-6596/425/16/162002
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700224
ER
PT S
AU Potier, J
Mercere, P
Da Silva, P
Idir, M
AF Potier, J.
Mercere, P.
Da Silva, P.
Idir, M.
BE Susini, J
Dumas, P
TI Experimental comparison of full and partial coherent illumination in
coherent diffraction imaging reconstructions
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
ID X-RAY CRYSTALLOGRAPHY
AB In this paper, we will present coherent diffraction imaging reconstruction of a well-known object by use of a Hybrid Input-Output algorithm. The sample was imaged at 400 nm wavelength with a fully coherent laser source and at 0.41 nm wavelength in partially coherent illumination. The comparison of the two experiments, completed with theoretical simulations, will highlight the influence of the degree of spatial coherence in the reconstruction process.
C1 [Potier, J.; Mercere, P.; Da Silva, P.] Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France.
[Idir, M.] Brookhaven Natl Lab, NSLS 2, Upton, NY USA.
RP Potier, J (reprint author), Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France.
EM potier@synchrotron-soleil.fr
NR 11
TC 0
Z9 0
U1 0
U2 3
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 192009
DI 10.1088/1742-6596/425/19/192009
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700254
ER
PT S
AU Rizzi, J
Mercere, P
Idir, M
Guerineau, N
Sakat, E
Haidar, R
Vincent, G
Da Silva, P
Primot, J
AF Rizzi, J.
Mercere, P.
Idir, M.
Guerineau, N.
Sakat, E.
Haidar, R.
Vincent, G.
Da Silva, P.
Primot, J.
BE Susini, J
Dumas, P
TI X-ray phase contrast imaging using a broadband X-ray beam and a single
phase grating used in its achromatic and propagation-invariant regime.
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
ID LATERAL SHEARING INTERFEROMETRY
AB Recently, Onera developed a new interferometer for X-ray phase contrast imaging. This device uses a single phase grating and takes advantage of the incident light spectral bandwidth to create an achromatic and propagation-invariant pattern. This very simple setup produces highly contrasted interferograms after a certain distance of propagation. Our first quantitative images are presented in this paper and the performances of the device are discussed.
C1 [Rizzi, J.; Guerineau, N.; Sakat, E.; Haidar, R.; Vincent, G.; Primot, J.] Off Natl Etud & Rech Aerosp, French Aerospace Lab, Chemin Huniere, F-91128 Palaiseau, France.
[Mercere, P.; Da Silva, P.] Synchrotron Soleil, F-91192 Gif Sur Yvette, France.
[Idir, M.] Brookhaven Natl Lab, NSLS2, Upton, NY 11973 USA.
RP Rizzi, J (reprint author), Off Natl Etud & Rech Aerosp, French Aerospace Lab, Chemin Huniere, F-91128 Palaiseau, France.
EM Julien.rizzi@onera.fr
RI VINCENT, Gregory/A-8140-2012
OI VINCENT, Gregory/0000-0003-1636-3853
FU Triangle de la Physique and by the US Department of Energy, Office of
Science, Office of Basic Energy Sciences [DE-AC-02-98CH10886]
FX The research presented here is supported by Triangle de la Physique and
by the US Department of Energy, Office of Science, Office of Basic
Energy Sciences, under contract No. DE-AC-02-98CH10886.
NR 11
TC 4
Z9 4
U1 0
U2 6
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 192002
DI 10.1088/1742-6596/425/19/192002
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700247
ER
PT S
AU Sanchez-Hanke, C
Hulbert, SL
Shapiro, D
Reininger, R
AF Sanchez-Hanke, C.
Hulbert, S. L.
Shapiro, D.
Reininger, R.
BE Susini, J
Dumas, P
TI High coherent flux at the NSLS-II coherent soft x-ray beamline
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB The optical design of the coherent soft x-ray (CSX) and fast polarization switching beamline at NSLS-II has been optimized to deliver photon flux in the range of 10(12) - 10(13) ph/s in the energy range from 200 to 2000 eV. Two identical APPLE-II undulators will be operated in two different modes: canted and phased. In the canted mode, one beam will be directed to the coherence branch and the other to the fast polarization switching branch. In the phased mode, the two undulators will be operated as a single device to deliver the highest coherence flux to the coherence branch. The monochromator for the coherence branch is a focusing variable line spacing plane grating monochromator designed to deliver a moderate resolving power (2000 to 3000). The horizontal focusing onto the exit slit will be performed with a cylindrical bendable mirror located downstream of the monochromator and having similar demagnification as the monochromator.
C1 [Sanchez-Hanke, C.; Hulbert, S. L.; Shapiro, D.; Reininger, R.] Brookhaven Natl Lab, NSLS 2, Upton, NY 11973 USA.
RP Sanchez-Hanke, C (reprint author), Brookhaven Natl Lab, NSLS 2, Upton, NY 11973 USA.
EM hanke@bnl.gov
NR 8
TC 0
Z9 0
U1 0
U2 8
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 152017
DI 10.1088/1742-6596/425/15/152017
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700217
ER
PT S
AU Schmah, A
AF Schmah, Alexander
CA STAR Collaboration
BE Susini, J
Dumas, P
TI The Beam Energy Scan at RHIC: Recent Results from STAR
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB The first phase of the beam energy scan (BES) program at RHIC was successfully completed in the years 2010 and 2011. The main goals are the search for the QCD critical point and to find signatures for a phase transition between the hadron gas and the QGP phase. For this purpose several observables like higher moments of net-proton distributions, RCP of charged hadrons or the elliptic flow v(2) are studied. Further new observations and results like the centrality dependence of chemical freeze-out parameters (T-ch and mu B) or di-electron spectra in comparison with model calculations are discussed.
C1 [Schmah, Alexander; STAR Collaboration] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Schmah, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM aschmah@lbl.gov
NR 15
TC 0
Z9 0
U1 0
U2 2
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 012007
DI 10.1088/1742-6596/426/1/012007
PG 5
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700007
ER
PT S
AU Shapiro, D
Roy, S
Celestre, R
Chao, W
Doering, D
Howells, M
Kevan, S
Kilcoyne, D
Kirz, J
Marchesini, S
Seu, KA
Schirotzek, A
Spence, J
Tyliszczak, T
Warwick, T
Voronov, D
Padmore, HA
AF Shapiro, D.
Roy, S.
Celestre, R.
Chao, W.
Doering, D.
Howells, M.
Kevan, S.
Kilcoyne, D.
Kirz, J.
Marchesini, S.
Seu, K. A.
Schirotzek, A.
Spence, J.
Tyliszczak, T.
Warwick, T.
Voronov, D.
Padmore, H. A.
BE Susini, J
Dumas, P
TI Development of coherent scattering and diffractive imaging and the
COSMIC facility at the Advanced Light Source
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB A new facility is described that is being constructed for coherent scattering and microscopy at the Advanced Light Source. The undulator beamline delivers maximum coherent flux to two experiment programs. One is for soft x-ray coherent scattering and correlation studies, the other is for soft x-ray diffractive imaging using ptychographic reconstruction techniques. The energy resolution is sufficient for NEXAFS spectroscopy with full polarization control, from below the carbon edge to 2500eV. New instrumentation is planned for wavelength limited 2D imaging and 3D imaging at spatial resolution better than 10nm and for coherent scattering studies with a variety of sample environments including strong magnetic fields and cryogenic temperatures. High speed CCD detectors will make optimum use of the available flux on dedicated data transmission networks.
C1 [Shapiro, D.; Roy, S.; Celestre, R.; Doering, D.; Howells, M.; Kevan, S.; Kilcoyne, D.; Kirz, J.; Marchesini, S.; Seu, K. A.; Schirotzek, A.; Tyliszczak, T.; Warwick, T.; Voronov, D.; Padmore, H. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Chao, W.] Ctr X ray Opt, Berkeley, CA 94720 USA.
[Spence, J.] Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA.
RP Shapiro, D (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
EM warwick@lbl.gov
RI Kevan, Stephen/F-6415-2010
OI Kevan, Stephen/0000-0002-4621-9142
NR 7
TC 1
Z9 1
U1 1
U2 7
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 192011
DI 10.1088/1742-6596/425/19/192011
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700256
ER
PT S
AU Shu, D
Kearney, S
Preissner, C
AF Shu, D.
Kearney, S.
Preissner, C.
BE Susini, J
Dumas, P
TI Design of a precision flexural linear stage system with sub-nanometer
resolution and 12-mm travel range
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB Precision ball-bearing-based or roller-bearing-based positioning stage systems are capable of providing a large travel range. However, it is not possible to meet requirements in sub-nanometer positioning resolution, high tilting stiffness, and microradian-level straightness of trajectory repeatability with a simple rolling element guiding system. To meet those requirements and still allow for large travel range, we have designed a novel precision flexural linear stage. It is capable of sub-nanometer positioning resolution and 12-mm travel range for synchrotron radiation instrumentation applications. The design and preliminary test results for a prototype stage system are discussed in this paper.
C1 [Shu, D.; Kearney, S.; Preissner, C.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Shu, D (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
EM shu@aps.anl.gov
NR 4
TC 2
Z9 2
U1 0
U2 3
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 212011
DI 10.1088/1742-6596/425/21/212011
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700293
ER
PT S
AU Shu, D
Stoupin, S
Khachatryan, R
Goetze, KA
Roberts, T
Mundboth, K
Collins, S
Shvyd'ko, Y
AF Shu, D.
Stoupin, S.
Khachatryan, R.
Goetze, K. A.
Roberts, T.
Mundboth, K.
Collins, S.
Shvyd'ko, Y.
BE Susini, J
Dumas, P
TI Precision mechanical design of an ultrahigh-resolution inelastic x-ray
scattering spectrometer system with CDFDW optics at the APS
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB There are many scientific applications, especially involving topics related to the equilibrium atomic-scale dynamics of condensed matter, that require both a narrower and a steeper resolution function and access to a broader dynamic range than are currently available. To meet these important scientific needs, a prototype of a novel ultrahigh-resolution inelastic x-ray scattering spectrometer system has been designed and constructed at undulator-based beamline 30-ID at the Advanced Photon Source, Argonne National Laboratory. This prototype is designed to meet challenging mechanical and optical specifications for performing so-called CDFDW angular-dispersive x-ray crystal optics, which include a central ultra-thin CFW crystal and a pair of dispersing elements. The abbreviation CDFDW stands for: C - collimating crystal, D - dispersing-element crystal (two D-crystals are used in each CDFDW), F - anomalous transmission filter, and W - wavelength-selector crystal [1]. The mechanical design of the ultrahigh-resolution inelastic x-ray scattering spectrometer, as well as the preliminary test results of its precision positioning performance are presented in this paper.
C1 [Shu, D.; Stoupin, S.; Khachatryan, R.; Goetze, K. A.; Roberts, T.; Shvyd'ko, Y.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Mundboth, K.; Collins, S.] Diamond Light Source Ltd, Didcot OX11 0DE, Oxon, England.
RP Shu, D (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
EM shu@aps.anl.gov
FU U.S. Department of Energy, Office of Science [DE-AC02-06CH11357]
FX The authors would like to thank R. Ranay, T. Buffington from Argonne
National Laboratory, and S. Kearney and J. Anton from Argonne National
Laboratory and the University of Illinois at Chicago for their help with
the CDFDW-optics-based IXS spectrometer prototype development. The
authors would also like to thank L. Young for supporting this project
and stimulating interest. This work was supported by the U.S. Department
of Energy, Office of Science, under Contract No. DE-AC02-06CH11357. 11th
International Conference on Synchrotron Radiation Instrumentation (SRI
2012) IOP Publishing Journal of Physics: Conference Series 425
(2013) 052031 doi:10.1088/1742-6596/425/5/052031
NR 10
TC 4
Z9 4
U1 1
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 052031
DI 10.1088/1742-6596/425/5/052031
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700099
ER
PT S
AU Shu, D
Shvyd'ko, Y
Amann, J
Emma, P
Stoupin, S
Quintana, J
AF Shu, D.
Shvyd'ko, Y.
Amann, J.
Emma, P.
Stoupin, S.
Quintana, J.
BE Susini, J
Dumas, P
TI Design of a diamond-crystal monochromator for the LCLS hard x-ray
self-seeding project
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB As the result of collaborations between the Advanced Photon Source (APS), Argonne National Laboratory, and the Linac Coherent Light Source (LCLS) at SLAC National Accelerator Laboratory, we have designed and constructed a diamond crystal monochromator for the LCLS hard x-ray self-seeding project. The novel monochromator is ultrahigh-vacuum compatible to meet the LCLS linear accelerator vacuum environmental requirement. A special graphite holder was designed for strain-free mount of the 110-mu m thin synthetic diamond crystal plate provided by Technological Institute for Super-hard and Novel Carbon Materials of Russia (TISNCM). An in-vacuum multi-axis precision positioning mechanism is designed to manipulate the thin-film diamond holder with resolutions and stabilities required by the hard x-ray self-seeding physics. Optical encoders, limit switches, and hardware stops are established in the mechanism to ensure system reliability and to meet the accelerator personal and equipment safety interlock requirements. Molybdenum shields are installed in the monochromator to protect the encoders and associated electronics from radiation damage. Mechanical specifications, designs, and preliminary test results of the diamond monochromator are presented in this paper.
C1 [Shu, D.; Shvyd'ko, Y.; Stoupin, S.; Quintana, J.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Amann, J.; Emma, P.] SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA.
RP Shu, D (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
EM shu@aps.anl.gov
FU U.S. Department of Energy, Office of Science [DEAC02-06CH11357]
FX The authors would like to thank A. Zholents, W. Berg, R. Ranay, and T.
Buffington from Argonne National Laboratory, S. Kearney and J. Anton
from Argonne National Laboratory and the University of Illinois at
Chicago, J. Hastings, Y. Feng, H. Huang, and engineers in the LCLS HXRSS
team from SLAC National Accelerator Laboratory for their help with the
monochromator development, This work was supported by the U.S.
Department of Energy, Office of Science, under Contract No.
DEAC02-06CH11357.
NR 4
TC 11
Z9 11
U1 1
U2 5
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 052004
DI 10.1088/1742-6596/425/5/052004
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700072
ER
PT S
AU Shu, D
Kuan, CK
Sheng, IC
Chen, JR
AF Shu, D.
Kuan, C-K
Sheng, I. C.
Chen, J-R
BE Susini, J
Dumas, P
TI Development of an x-ray beam position monitor for TPS EPU beamline front
ends
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB In order to develop state-of-the-art x-ray beam position monitors (XBPMs) for the Taiwan Photon Source (TPS) project, the National Synchrotron Radiation Research Center (NSRRC) and the Advance Photon Source have established a collaboration project to design and test various XBPMs for the TPS beamline front ends. One of the XBPM prototypes is dedicated to the elliptically polarized undulator (EPU) beamline front ends to be constructed at the TPS. In this paper, we present the design of the XBPM prototype. Preliminary test results for the prototype are also discussed.
C1 [Shu, D.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Kuan, C-K; Sheng, I. C.; Chen, J-R] Natl Synchrotron Radiat Res Ctr, Hsinchu 30076, Taiwan.
RP Shu, D (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
EM shu@aps.anl.gov
FU U.S. Department of Energy, Office of Science [DE-AC02-06CH11357]
FX The authors would like to thank Shih-Chun Chung, Hok-Sum Fung, Jyun Yan
Jhuang, Po-An Lin, Bor-Yuan Shew, Cheng-Hao Ko, and Ching-Shiang Hwang
from NSRRC. R. Raney from ANL, and S. Kearney from ANL and the
University of Illinois at Chicago for their help with the XBPM
development. This work was supported by the U.S. Department of Energy,
Office of Science, under Contract No. DE-AC02-06CH11357.
NR 4
TC 0
Z9 0
U1 0
U2 3
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 042003
DI 10.1088/1742-6596/425/4/042003
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700052
ER
PT S
AU Stepanov, S
Hilgart, M
Makarov, O
Pothineni, SB
Yoder, D
Ogata, C
Sanishvili, R
Venugopalan, N
Becker, M
Clift, M
Smith, JL
Fischetti, RF
AF Stepanov, S.
Hilgart, M.
Makarov, O.
Pothineni, S. B.
Yoder, D.
Ogata, C.
Sanishvili, R.
Venugopalan, N.
Becker, M.
Clift, M.
Smith, J. L.
Fischetti, R. F.
BE Susini, J
Dumas, P
TI JBluIce-EPICS: a fast and flexible open-source beamline control system
for macromolecular crystallography
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB This paper overviews recent advances in the JBluIce-EPICS open-source control system designed at the macromolecular crystallography beamlines of the National Institute of General Medical Sciences and National Cancer Institute at the Advanced Photon Source (GM/CA@APS). We discuss some technical highlights of this system distinguishing it from the competition, such as reduction of software layers to only two, possibility to operate JBluIce in parallel with other beamline controls, plugin-enabled architecture where the plugins can be written in any programming language, and utilization of the whole power of the Java integrated development environment in the Graphical User Interface. Then, we demonstrate how these highlights help to make JBluIce fast, easily adaptable to new beamline developments, and intuitive for users. In particular, we discuss several recent additions to the system including a bridge between crystal rastering and data collection, automatic detection of raster polygons from optical crystal centering, background data processing, and a pathway to a fully automated pipeline from crystal screening to solving crystal structure.
C1 [Stepanov, S.; Hilgart, M.; Makarov, O.; Pothineni, S. B.; Yoder, D.; Ogata, C.; Sanishvili, R.; Venugopalan, N.; Becker, M.; Smith, J. L.; Fischetti, R. F.] Argonne Natl Lab, Adv Photon Source, GM CA Struct Biol Facil, Argonne, IL 60439 USA.
[Clift, M.] Australian Synchrotron, Clayton, Vic 3168, Australia.
[Smith, J. L.] Univ Michigan, Dept Biol Chem, Inst Life Sci, Ann Arbor, MI 48109 USA.
RP Stepanov, S (reprint author), Argonne Natl Lab, Adv Photon Source, GM CA Struct Biol Facil, Argonne, IL 60439 USA.
EM sstepanov@anl.gov
FU National Cancer Institute [Y1-CO-1020]; National Institute of General
Medical Sciences [Y1-GM-1104]; US Department of Energy, Basic Energy
Sciences, Office of Science [DE-AC02-06CH1135]
FX GM/CA@APS is supported in whole or in part by Federal funds from the
National Cancer Institute (Y1-CO-1020) and the National Institute of
General Medical Sciences (Y1-GM-1104). Use of the Advanced Photon Source
was supported by the US Department of Energy, Basic Energy Sciences,
Office of Science under contract No. DE-AC02-06CH1135.
NR 10
TC 0
Z9 0
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 012019
DI 10.1088/1742-6596/425/1/012019
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700019
ER
PT S
AU Stepanov, S
AF Stepanov, Sergey
BE Susini, J
Dumas, P
TI Cybersecurity, massive data processing, community interaction, and other
developments at WWW-based computational X-ray Server
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
ID DIFFRACTION; SOFTWARE
AB X-Ray Server (x-server.gmca.aps.anl.gov) is a WWW-based computational server for modeling of X-ray diffraction, reflection and scattering data. The modeling software operates directly on the server and can be accessed remotely either from web browsers or from user software. In the later case the server can be deployed as a software library or a data fitting engine. As the server recently surpassed the milestones of 15 years online and 1.5 million calculations, it accumulated a number of technical solutions that are discussed in this paper. The developed approaches to detecting physical model limits and user calculations failures, solutions to spam and firewall problems, ways to involve the community in replenishing databases and methods to teach users automated access to the server programs may be helpful for X-ray researchers interested in using the server or sharing their own software online.
C1 Argonne Natl Lab, Adv Photon Source, GM CA Struct Biol Facil, Argonne, IL 60439 USA.
RP Stepanov, S (reprint author), Argonne Natl Lab, Adv Photon Source, GM CA Struct Biol Facil, Argonne, IL 60439 USA.
EM sstepanov@anl.gov
NR 5
TC 0
Z9 0
U1 0
U2 2
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 162006
DI 10.1088/1742-6596/425/16/162006
PG 5
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700228
ER
PT S
AU Voronov, DL
Anderson, EH
Cambie, R
Gawlitza, P
Goray, LI
Gullikson, EM
Salmassi, F
Warwick, T
Yashchuk, VV
Padmore, HA
AF Voronov, D. L.
Anderson, E. H.
Cambie, R.
Gawlitza, P.
Goray, L. I.
Gullikson, E. M.
Salmassi, F.
Warwick, T.
Yashchuk, V. V.
Padmore, H. A.
BE Susini, J
Dumas, P
TI Development of near atomically perfect diffraction gratings for EUV and
soft x-rays with very high efficiency and resolving power
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
ID EXTREME-ULTRAVIOLET; MULTILAYER
AB Multilayer-coated Blazed Gratings (MBG) can offer high diffraction efficiency in a very high diffraction order and are therefore of great interest for high-resolution EUV and soft x-ray spectroscopy techniques such as Resonance Inelastic X-ray Scattering. However, realization of the MBG concept requires nano-scale precision in fabrication of a saw-tooth substrate with atomically smooth facets, and reproduction of the blazed groove profile in the course of conformal growth of a multilayer coating. We report on recent progress achieved in the development, fabrication, and characterization of ultra-dense MBGs for EUV and soft x-rays. As a result of thorough optimization of all steps of the fabrication process, an absolute diffraction efficiency as high as 44% and 12.7% was achieved for a 5250 l/mm grating in the EUV and soft x-ray regions respectively. This work now shows a direct route to achieving high diffraction efficiency in high order at wavelengths throughout the soft x-ray energy range with revolutionary applications in synchrotron science.
C1 [Voronov, D. L.; Anderson, E. H.; Cambie, R.; Gullikson, E. M.; Salmassi, F.; Warwick, T.; Yashchuk, V. V.; Padmore, H. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Gawlitza, P.] Fraunhofer Inst Mat & Beam Technol, D-01277 Dresden, Germany.
[Goray, L. I.] St Petersburg Acad Univ, St Petersburg 194021, Russia.
RP Voronov, DL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM dlvoronov@lbl.gov
RI Goray, Leonid/D-4426-2013
OI Goray, Leonid/0000-0002-0381-9607
FU US Department of Energy [DEAC02-05CH11231]
FX The work was supported by the US Department of Energy under contract
number DEAC02-05CH11231.
NR 9
TC 2
Z9 2
U1 3
U2 6
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 152006
DI 10.1088/1742-6596/425/15/152006
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700206
ER
PT S
AU Ward, MJ
Regier, TZ
Vogt, JM
Gordon, RA
Han, WQ
Sham, TK
AF Ward, M. J.
Regier, T. Z.
Vogt, J. M.
Gordon, R. A.
Han, W-Q
Sham, T. K.
BE Susini, J
Dumas, P
TI Time-resolved X-ray excited optical luminescence using an optical streak
camera
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB We report the development of a time-resolved XEOL (TR-XEOL) system that employs an optical streak camera. We have conducted TR-XEOL experiments at the Canadian Light Source (CLS) operating in single bunch mode with a 570 ns dark gap and 35 ps electron bunch pulse, and at the Advanced Photon Source (APS) operating in top-up mode with a 153 ns dark gap and 33.5 ps electron bunch pulse. To illustrate the power of this technique we measured the TR-XEOL of solid-solution nanopowders of gallium nitride - zinc oxide, and for the first time have been able to resolve near-band-gap (NBG) optical luminescence emission from these materials. Herein we will discuss the development of the streak camera TR-XEOL technique and its application to the study of these novel materials.
C1 [Ward, M. J.; Sham, T. K.] Univ Western Ontario, Dept Chem, London, ON N6A 5B7, Canada.
[Regier, T. Z.; Vogt, J. M.; Gordon, R. A.] Canadian Light Source Inc, Saskatoon, SK S7N 0X4, Canada.
[Gordon, R. A.] Pacific Nortwestern Consortium Adv Photo Source, Argonne, IL 60439 USA.
[Han, W-Q] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
RP Ward, MJ (reprint author), Univ Western Ontario, Dept Chem, London, ON N6A 5B7, Canada.
EM tsham@uwo.ca
FU US Department of Energy (DOE) - Basic Energy Sciences; NSERC; University
of Washington; CLS; APS; U.S. DOE [DE-AC02-06CH11357]; NRC; CIHR;
Province of Saskatchewan; Western Economic Diversification Canada;
University of Saskatchewan; University of Western Ontario; CRC; CFI;
OIT; Center for Functional Nanomaterials; Brookhaven National
Laboratory; Office of Basic Energy Sciences [DE-AC0298CH10886];
QEIIGSST; OGS
FX PNC/XSD facilities at the APS, and research at these facilities, are
supported by the US Department of Energy (DOE) - Basic Energy Sciences,
a Major Resources Support grant from NSERC, the University of
Washington, the CLS, and the APS. Use of the APS was supported by the
U.S. DOE under Contract No. DE-AC02-06CH11357. Research at the CLS was
supported by the NSERC, NRC, CIHR, the Province of Saskatchewan, Western
Economic Diversification Canada, and the University of Saskatchewan.
Research at The University of Western Ontario was supported by NSERC,
CRC, CFI, and OIT. Research carried out at the Center for Functional
Nanomaterials, Brookhaven National Laboratory, was supported by the U.S.
DOE, Office of Basic Energy Sciences, under contract No.
DE-AC0298CH10886. M.J.W. acknowledges the financial support of the
QEIIGSST and OGS scholarship programs. We thank Dale Brewe for
assistance with the timing setup at 20BM PNC/XSD.
NR 9
TC 0
Z9 0
U1 0
U2 8
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
DI 10.1088/1742-6596/425/9/092006
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700151
ER
PT S
AU Yashchuk, VV
Merthe, DJ
Goldberg, KA
Artemiev, NA
Celestre, R
Domning, EE
Kunz, M
McKinney, WR
Morrison, GY
Smith, BV
Tamura, N
AF Yashchuk, V. V.
Merthe, D. J.
Goldberg, K. A.
Artemiev, N. A.
Celestre, R.
Domning, E. E.
Kunz, M.
McKinney, W. R.
Morrison, G. Y.
Smith, B. V.
Tamura, N.
BE Susini, J
Dumas, P
TI Experimental methods for optimal tuning of bendable mirrors for
diffraction-limited soft x-ray focusing
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
ID METROLOGY
AB We report on hands-on experimental methods developed at the Advanced Light Source (ALS) for optimal tuning of mechanically bendable x-ray mirrors for diffraction-limited soft x-ray nano-focusing. For ex situ tuning of the benders for optimal beam-line performance, we use a revised version of the method of characteristic functions recently developed at the ALS optical metrology laboratory. At-wavelength optimal tuning of bendable optics consists of a series of wavefront-sensing tests with increasing accuracy and sensitivity, including modified scanning-slit Hartmann tests. The methods have been experimentally validated at ALS test beamline 5.3.1 and the micro-diffraction beamline 12.3.2 in applications to optimally set bendable Kirkpatrick-Baez mirrors designed for sub-micron focusing.
C1 [Yashchuk, V. V.; Merthe, D. J.; Artemiev, N. A.; Celestre, R.; Kunz, M.; McKinney, W. R.; Tamura, N.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Goldberg, K. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr for X ray Opt, Berkeley, CA 94720 USA.
[Domning, E. E.; Morrison, G. Y.; Smith, B. V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Engn, Berkeley, CA 94720 USA.
RP Yashchuk, VV (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
EM VVYashchuk@lbl.gov
RI McKinney, Wayne/F-2027-2014
OI McKinney, Wayne/0000-0003-2586-3139
FU Director, Office of Science; Office of Basic Energy Sciences; Material
Science Division; U.S. Department of Energy [DE-AC02-05CH11231]
FX The Advanced Light Source is supported by the Director, Office of
Science, Office of Basic Energy Sciences, Material Science Division, of
the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 at
Lawrence Berkeley National Laboratory.
NR 11
TC 6
Z9 6
U1 0
U2 3
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 152003
DI 10.1088/1742-6596/425/15/152003
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700203
ER
PT S
AU Yashchuk, VV
Morrison, GY
Church, M
Artemiev, NA
Celestre, R
Domning, EE
Howells, M
Kunz, M
McKinney, WR
Merthe, DJ
Smith, BV
Tamura, N
Padmore, HA
AF Yashchuk, V. V.
Morrison, G. Y.
Church, M.
Artemiev, N. A.
Celestre, R.
Domning, E. E.
Howells, M.
Kunz, M.
McKinney, W. R.
Merthe, D. J.
Smith, B. V.
Tamura, N.
Padmore, H. A.
BE Susini, J
Dumas, P
TI Bendable Kirkpatrick-Baez mirrors for the ALS micro-diffraction beamline
12.3.2: optimal tuning and alignment for multiple focusing geometries
SO 11TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
(SRI 2012)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Conference on Synchrotron Radiation Instrumentation
(SRI)
CY JUL 09-13, 2012
CL Lyon, FRANCE
SP ESRF, SOLEIL
AB Using an example of Kirkpatrick-Baez mirrors for the micro-diffraction beamline 12.3.2, we present the recent development of bendable x-ray optics and experimental techniques used for focusing of beams of soft and hard x-rays at the Advanced Light Source (ALS). We briefly review the nature of the bending and analyze a generalized solution of the bending equation for a side-profiled elliptically bent mirror substrate. A scaling rule is derived to understand a range of reliable tunability of the bendable optics for different applications (e.g., different focal distances and grazing incidence angles). Original design approaches are developed for assembly of bendable mirrors with minimal spurious stress and misalignment and for final precision compensation of the residual stress, substrate twist, and roll-off misalignment of the mirrors. Procedures used for optimal shaping and alignment of bendable optics at the ALS optical metrology laboratory are also briefly reviewed.
C1 [Yashchuk, V. V.; Church, M.; Artemiev, N. A.; Celestre, R.; Howells, M.; Kunz, M.; McKinney, W. R.; Merthe, D. J.; Tamura, N.; Padmore, H. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Morrison, G. Y.; Domning, E. E.; Smith, B. V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Engn, Berkeley, CA 94720 USA.
RP Yashchuk, VV (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
EM VVYashchuk@lbl.gov
RI McKinney, Wayne/F-2027-2014
OI McKinney, Wayne/0000-0003-2586-3139
FU Director, Office of Science, Office of Basic Energy Sciences; Material
Science Division; U.S. Department of Energy [DE-AC02-05CH11231]
FX The Advanced Light Source is supported by the Director, Office of
Science, Office of Basic Energy Sciences, Material Science Division, of
the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 at
Lawrence Berkeley National Laboratory.
NR 10
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U1 1
U2 7
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 425
AR UNSP 152004
DI 10.1088/1742-6596/425/15/152004
PG 4
WC Instruments & Instrumentation; Physics, Applied; Physics,
Multidisciplinary
SC Instruments & Instrumentation; Physics
GA BFL51
UT WOS:000320403700204
ER
PT S
AU Gaur, A
Shrivastava, BD
Khalid, S
AF Gaur, A.
Shrivastava, B. D.
Khalid, S.
BE Wu, ZY
TI Study of XAFS spectroscopic methods of speciation using mixtures of
Cu(I) and Cu(II) chlorides
SO 15TH INTERNATIONAL CONFERENCE ON X-RAY ABSORPTION FINE STRUCTURE
(XAFS15)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 15th International Conference on X-Ray Absorption Fine Structure (XAFS)
CY JUL 22-28, 2012
CL Beijing, PEOPLES R CHINA
SP Chinese Acad Sci (CAS), Natl Nat Sci Fdn China (NSFC), China Ctr Adv Sci & Technol World Lab, Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Chinese Acad Sci, Inst High Energy Phys, AREVA, Xian Act Power Elect Co, Ltd
ID COPPER; OXIDATION; STATE
AB Speciation concerns determination of the chemical forms along with the relative quantities of the different species in a given sample. The aim of the present work is to make a comparative study of the different methods of speciation using X-ray absorption fine structure (XAFS) spectroscopy. For this purpose, mixtures have been prepared by mixing CuCl2 and CuCl in different proportions. The X-ray absorption spectra have been recorded at the copper K-edge in the mixtures and the two chlorides separately. The different characteristic features of the XANES spectra of the two chlorides, useful for speciation, have been identified. Firstly, Principal component analysis (PCA) and target transformation (TT) methods have been used to check the number and identity of components in the mixtures. After the identification of the components, the percentages of the species in the mixtures have been quantitatively determined by linear combination fitting (LCF) of XANES, derivative XANES, and EXAFS (k(3)chi and k(2)chi) spectra. The other methods of speciation which have been employed are normalized difference absorption edge spectra analysis (NDAES), methods based on derivative XANES spectra of species and the method based on the relative position of the absorption edge. Results obtained from these methods have been compared and their relative merits discussed. It is probably for the first time that such a study has been done. The first section in your paper
C1 [Gaur, A.; Shrivastava, B. D.] Vikram Univ, Sch Studies Phys, Ujjain 456010, Madhya Pradesh, India.
[Khalid, S.] Brookhaven Natl Lab, NSLS, Upton, NY 11973 USA.
RP Gaur, A (reprint author), Vikram Univ, Sch Studies Phys, Ujjain 456010, Madhya Pradesh, India.
EM abhijeetgaur9@gmail.com
FU Madhya Pradesh Council of Science & Technology (MPCST), Bhopal (India)
FX Thanks are due to Madhya Pradesh Council of Science & Technology
(MPCST), Bhopal (India) for a research grant.
NR 9
TC 3
Z9 3
U1 1
U2 12
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 430
AR UNSP 012045
DI 10.1088/1742-6596/430/1/012045
PG 4
WC Physics, Condensed Matter; Spectroscopy
SC Physics; Spectroscopy
GA BFM11
UT WOS:000320464300045
ER
PT S
AU Heald, S
Alshammari, MS
Alfehaid, S
Alotaibi, M
Feng, Q
Hakimi, AMHR
AF Heald, Steve
Alshammari, Marzook S.
Alfehaid, S.
Alotaibi, M.
Feng, Qi
Hakimi, A. M. H. R.
BE Wu, ZY
TI XAFS Study of metal-doped In2O3
SO 15TH INTERNATIONAL CONFERENCE ON X-RAY ABSORPTION FINE STRUCTURE
(XAFS15)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 15th International Conference on X-Ray Absorption Fine Structure (XAFS)
CY JUL 22-28, 2012
CL Beijing, PEOPLES R CHINA
SP Chinese Acad Sci (CAS), Natl Nat Sci Fdn China (NSFC), China Ctr Adv Sci & Technol World Lab, Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Chinese Acad Sci, Inst High Energy Phys, AREVA, Xian Act Power Elect Co, Ltd
ID THIN-FILMS
AB In2O3 has attracted interest recently because of its favorable properties for potential applications as diluted magnetic semiconductors. For these applications the material must be doped to produce the desired magnetic properties, and it is essential to determine the fate of the dopants in order to optimize the materials and understand the magnetic measurements. This paper summarizes some recent XAFS studies of a series of In2O3 films doped with V, Cr, Co, and Fe. XAFS is shown to be a powerful tool to characterize these materials, providing valence information, and detecting both substitutional doping as well as second phase formation. V and Cr are found to take up well ordered substitutional sites with no evidence for second phase formation. For Co the substitutional sites were much more disordered than for V or Cr. Fe doped samples also displayed a range of results with well-ordered substitutional sites in some samples, while others showed extensive second phase formation including magnetite and Fe metal.
C1 [Heald, Steve] Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Alshammari, Marzook S.; Alfehaid, S.; Alotaibi, M.] KACST, Natl Ctr Nanotechnol, Riyadh 11442, Saudi Arabia.
[Alshammari, Marzook S.; Feng, Qi] Univ Sheffield, Dept Phys & Astron, Sheffield S10 2TN, S Yorkshire, England.
[Hakimi, A. M. H. R.] Univ Cambridge, Dept Mat Sci & Met, Cambridge CB2 1TN, England.
RP Heald, S (reprint author), Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM heald@aps.anl.gov
FU U.S. DOE [DE-AC02-06CH11357]; UK Engineering and Physical Sciences
Research Council; KACST (Saudi Arabia)
FX Use of the Advanced Photon Source, an Office of Science User Facility
operated for the U.S. Department of Energy (DOE) Office of Science by
Argonne National Laboratory, was supported by the U.S. DOE under
Contract No. DE-AC02-06CH11357.This research was also funded by the UK
Engineering and Physical Sciences Research Council and also KACST (Saudi
Arabia).
NR 8
TC 3
Z9 3
U1 3
U2 9
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 430
AR UNSP 012081
DI 10.1088/1742-6596/430/1/012081
PG 4
WC Physics, Condensed Matter; Spectroscopy
SC Physics; Spectroscopy
GA BFM11
UT WOS:000320464300081
ER
PT S
AU Newville, M
AF Newville, Matthew
BE Wu, ZY
TI Larch: An Analysis Package for XAFS and Related Spectroscopies
SO 15TH INTERNATIONAL CONFERENCE ON X-RAY ABSORPTION FINE STRUCTURE
(XAFS15)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 15th International Conference on X-Ray Absorption Fine Structure (XAFS)
CY JUL 22-28, 2012
CL Beijing, PEOPLES R CHINA
SP Chinese Acad Sci, Natl Nat Sci Fdn China, China Ctr Adv Sci & Technol World Lab, Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Chinese Acad Sci, Inst High Energy Phys, AREVA, Xian Act Power Elect Co, Ltd
ID RAY-ABSORPTION SPECTROSCOPY; IN-SITU; SPECTRA; DETECTOR; IFEFFIT; FEFF
AB LARCH, a package of analysis tools for XAFS and related spectroscopies is presented. A complete rewrite of the IFEFFIT package, the initial release of LARCH preserves the core XAFS analysis procedures such as normalization, background subtraction, Fourier transforms, fitting of XANES spectra, and fitting of experimental spectra to a sum of FEFF Paths, with few algorithmic changes made in comparison to IFEFFIT. LARCH is written using Python and its packages for scientific programming, which gives significant improvements over IFEFFIT in the ability to handle multi-dimensional and large data sets, write complex analysis scripts, visualize data, add new functionality, and customize existing capabilities. Like the earlier version, LARCH can run from an interactive command line or in batch-mode, but LARCH can also be run as a server and accessed from clients using standard inter-process communication techniques available in a variety of computer languages. LARCH is freely available under an open source license. Examples of using LARCH are shown, future directions for development are discussed, and collaborations for adding new capabilities are actively sought.
C1 Univ Chicago, Ctr Adv Radiat Studies, Argonne Natl Lab, Argonne, IL 60439 USA.
RP Newville, M (reprint author), Univ Chicago, Ctr Adv Radiat Studies, Argonne Natl Lab, Bldg 434A, Argonne, IL 60439 USA.
EM newville@cars.uchicago.edu
NR 28
TC 11
Z9 11
U1 0
U2 11
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 430
AR UNSP 012007
DI 10.1088/1742-6596/430/1/012007
PG 7
WC Physics, Condensed Matter; Spectroscopy
SC Physics; Spectroscopy
GA BFM11
UT WOS:000320464300007
ER
PT S
AU Sham, TK
Ward, MJ
Murphy, MW
Liu, LJ
Han, WQ
AF Sham, T. K.
Ward, M. J.
Murphy, M. W.
Liu, L. J.
Han, W. Q.
BE Wu, ZY
TI Pt L-3,L-2-edge whiteline anomaly and its implications for the chemical
behaviour of Pt 5d(5/2) and 5d(3/2) electronic states - a study of Pt-Au
nanowires and nanoparticles
SO 15TH INTERNATIONAL CONFERENCE ON X-RAY ABSORPTION FINE STRUCTURE
(XAFS15)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 15th International Conference on X-Ray Absorption Fine Structure (XAFS)
CY JUL 22-28, 2012
CL Beijing, PEOPLES R CHINA
SP Chinese Acad Sci (CAS), Natl Nat Sci Fdn China (NSFC), China Ctr Adv Sci & Technol World Lab, Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Chinese Acad Sci, Inst High Energy Phys, AREVA, Xian Act Power Elect Co, Ltd
ID X-RAY-ABSORPTION
AB We report the L-3,L-2-edge whiteline anomaly observed in PtAu nanowire, PtAu and Pt nanoparticles deposited on Si nanowire, and their comparison with that of Pt metal. It is found that charge redistribution upon the formation of these materials can indeed be tracked with the L-3,L-2 whiteline intensity. The implications of these findings are discussed.
C1 [Sham, T. K.; Ward, M. J.; Murphy, M. W.; Liu, L. J.] Univ Western Ontario, Dept Chem, London, ON N6A 5B7, Canada.
[Han, W. Q.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
RP Sham, TK (reprint author), Univ Western Ontario, Dept Chem, London, ON N6A 5B7, Canada.
EM tsham@uwo.ca
FU NSERC; CRC; CFI of Canada; OIT (Ontario); US Department of Energy (DOE);
Basic Energy Sciences; Major Resource Support (NSERC); University of
Washington; Simon Fraser University
FX Research at Western is supported by NSERC, CRC, and CFI of Canada and
OIT (Ontario); PNC/XSD at APS is supported by the US Department of
Energy (DOE), Basic Energy Sciences, the Major Resource Support (NSERC),
the University of Washington, and Simon Fraser University. Technical
assistance of Robert Gordon is greatly appreciated.
NR 8
TC 2
Z9 2
U1 0
U2 8
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 430
AR UNSP 012018
DI 10.1088/1742-6596/430/1/012018
PG 4
WC Physics, Condensed Matter; Spectroscopy
SC Physics; Spectroscopy
GA BFM11
UT WOS:000320464300018
ER
PT S
AU Christophersen, JP
Morrison, JL
Morrison, WH
AF Christophersen, Jon P.
Morrison, John L.
Morrison, William H.
GP IEEE
TI Acquiring Impedance Spectra from Diode-Coupled Primary Batteries to
Determine Health and State of Charge
SO 2013 IEEE AEROSPACE CONFERENCE
SE IEEE Aerospace Conference Proceedings
LA English
DT Proceedings Paper
CT IEEE Aerospace Conference
CY MAR 02-09, 2013
CL Big Sky, MT
SP IEEE
ID MANAGEMENT-SYSTEMS; PART 2; PACKS
AB The U. S. Army uses BA5590 Lithium Sulfur Dioxide primary batteries for portable electronic systems. There remains a need, however, for technology that can rapidly assess these batteries and estimate their remaining state of health after being used without degrading them to determine if there is remaining useful life for additional missions. This allows the full range of charge to be consumed before the battery is recycled or disposed. Impedance spectroscopy measurements have been shown to be a useful diagnostic tool, but standard methods cannot be applied to the BA5590 batteries because of the up-front electronics. The BA5590 module is diode-coupled and a charge-neutral excitation signal would be half-wave rectified and completely corrupt the results. However, a rapid impedance spectrum measurement technique has been developed that can be used for the BA5590s based on the addition of a small discharge bias load superimposed on the sinusoidal excitation signal. The feasibility of this approach was initially simulated and then successfully applied to cell strings on four fresh BA5590 modules. The results clearly showed consistent and repeatable impedance spectra with no significant impact on the SOC as a result of the measurement. Details of this measurement technique and discussion of the preliminary results are presented.
C1 [Christophersen, Jon P.] Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA.
RP Christophersen, JP (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA.
EM Jon.Christophersen@inl.gov; jmorrison@mtech.edu;
morrison.theta.sigma@gmail.com
FU United States Government under U.S. DOE [DE-AC0705I14517]; U.S. DOE
Office of Vehicle Technologies; Idaho National Laboratory [00095510];
U.S. Government
FX The authors gratefully acknowledge Jeff Ross at the Fort Polk Joint
Readiness Training Center (JRTC) for providing the BA5590 module samples
for this effort. This work was prepared as an account of work sponsored
by an agency of the United States Government under U.S. DOE Contract
DE-AC0705I14517. Funding for this work was provided by the U.S. DOE
Office of Vehicle Technologies. Montana Tech was supported in part by
Idaho National Laboratory Contract 00095510. The U.S. Government retains
and the publisher, by accepting the article for publication,
acknowledges that the U.S. Government retains a nonexclusive, paid-up,
irrevocable, worldwide license to publish or reproduce the published
form of this manuscript, or allow others to do so, for U.S. Government
purposes.; This information was prepared as an account of work sponsored
by an agency of the U.S. Government. Neither the U.S. 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. References 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 U.S. Government or any
agency thereof. Views and opinions of the authors expressed herein do
not necessarily state or reflect those of the U.S. Government or any
agency thereof
NR 17
TC 0
Z9 0
U1 1
U2 6
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 1095-323X
BN 978-1-4673-1811-2
J9 AEROSP CONF PROC
PY 2013
PG 10
WC Engineering, Aerospace; Engineering, Electrical & Electronic
SC Engineering
GA BFJ62
UT WOS:000320123903049
ER
PT S
AU Hughart, DR
Dalton, SM
Mickel, PR
Dodd, PE
Shaneyfelt, MR
Bielejec, E
Vizkelethy, G
Marinella, MJ
AF Hughart, D. R.
Dalton, S. M.
Mickel, P. R.
Dodd, P. E.
Shaneyfelt, M. R.
Bielejec, E.
Vizkelethy, G.
Marinella, M. J.
GP IEEE
TI Total Ionizing Dose and Displacement Damage Effects on TaOx Memristive
Memories
SO 2013 IEEE AEROSPACE CONFERENCE
SE IEEE Aerospace Conference Proceedings
LA English
DT Proceedings Paper
CT IEEE Aerospace Conference
CY MAR 02-09, 2013
CL Big Sky, MT
SP IEEE
ID ELECTRICAL CHARACTERISTICS; RADIATION; MECHANISM; DEVICE
AB The effects of ionizing radiation and displacement damage on TaOx memristors are evaluated. Devices show little response to 10 keV x-rays up to 10 Mrad(Si). Co-60 gamma rays and 4.5 MeV protons did not change the resistances significantly at levels up to 2.5 Mrad(Si) and 5 Mrad(Si) respectively. 105 MeV and 480 MeV protons cause switching of the memristors from high to low resistance states in some cases, but do not exhibit a consistent degradation. 800 keV silicon ions are observed to cause resistance degradation, with an inverse dependence of resistance on oxygen vacancy density. Variation between different devices appears to be a key factor in determining the electrical response resulting from irradiation. The proposed degradation mechanism likely involves the creation of oxygen vacancies, but a better fundamental understanding of switching is needed before a definitive understanding of radiation degradation can be achieved.
C1 [Hughart, D. R.; Dalton, S. M.; Mickel, P. R.; Dodd, P. E.; Shaneyfelt, M. R.; Bielejec, E.; Vizkelethy, G.; Marinella, M. J.] Sandia Natl Labs, Albuquerque, NM 87123 USA.
RP Hughart, DR (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA.
EM dhughar@sandia.gov; mmarine@sandia.gov
NR 16
TC 0
Z9 0
U1 0
U2 9
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 1095-323X
BN 978-1-4673-1811-2
J9 AEROSP CONF PROC
PY 2013
PG 10
WC Engineering, Aerospace; Engineering, Electrical & Electronic
SC Engineering
GA BFJ62
UT WOS:000320123903044
ER
PT S
AU Kimball, J
Duchaineau, M
Kuester, F
AF Kimball, Jason
Duchaineau, Mark
Kuester, Falko
GP IEEE
TI Interactive Visualization of Large Scale Atomistic and Cosmological
Particle Simulation
SO 2013 IEEE AEROSPACE CONFERENCE
SE IEEE Aerospace Conference Proceedings
LA English
DT Proceedings Paper
CT IEEE Aerospace Conference
CY MAR 02-09, 2013
CL Big Sky, MT
SP IEEE
AB In this paper we present a method for interactive high-quality visualization of large and time-varying 3D unstructured data from particle simulations.
To help design next-generation materials for aerospace systems, understanding the physics of material structures at the atomic scale is achieved through molecular dynamics simulations run on tens to hundreds of millions of atoms. Similarly, to understand the formation of the cosmos, galaxy formation simulations are run using tens to hundreds of millions of particles. From the atomically small to the astronomically large, these simulations produce immense amounts of data. While these simulations have been shown to produce excellent results matching real-world observations, the daunting Big Data that they produce can be difficult to work with. Numerical analysis is useful for processing this large quantity of data, but visual analysis is also important in the search for identifying interesting results and formulating new hypotheses to explore.
Though many level-of-detail techniques exist for structured and geometric data, allowing scalable interactive visualization, unstructured particle data is not suitable for these techniques. Therefore, we have developed a new technique for scalable visualization of massive particle datasets. The technique is different from previous level-of-detail techniques which create progressive approximations of the data itself. Instead, the technique creates a volumetric representation of the data first and then creates a hierarchy of progressive approximations of the volumetric representation. An adaptive volume rendering technique is also presented that progressively refines the volume hierarchy depending on the view of the data and the time available to load data. The technique provides a scalable framework, allowing various levels of detail to be loaded while maintaining interactivity.
This paper describes the rendering techniques used to produce the 3D volume hierarchy as well as the adaptive volume renderer used for interactive visualization. Three case studies are discussed as examples of interactive visualization. Two are from a molecular dynamics simulation, one containing approximately 22 million particles per time-step over 100 time-steps and one containing a range of particles containing a total of 230 million particles over 9 time steps. The third example is a single time step containing 128 million particle from a cosmology simulation.
C1 [Kimball, Jason] Univ Calif San Diego, Dept Comp Sci & Engn, La Jolla, CA 92093 USA.
[Duchaineau, Mark] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA.
[Kuester, Falko] Univ Calif San Diego, Dept Struct Engn, La Jolla, CA 92093 USA.
RP Kimball, J (reprint author), Univ Calif San Diego, Dept Comp Sci & Engn, La Jolla, CA 92093 USA.
EM jkimball@ucsd.edu; duchaine@google.com; fkuester@ucsd.edu
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC5207NA27344]
FX We would like to thank Lawrence Livermore National Laboratory for
providing the atomistic datasets.; This work was performed in part under
the auspices of the U.S. Department of Energy by Lawrence Livermore
National Laboratory under Contract DE-AC5207NA27344.
NR 14
TC 0
Z9 0
U1 0
U2 2
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 1095-323X
BN 978-1-4673-1811-2
J9 AEROSP CONF PROC
PY 2013
PG 9
WC Engineering, Aerospace; Engineering, Electrical & Electronic
SC Engineering
GA BFJ62
UT WOS:000320123903082
ER
PT S
AU Marinella, M
AF Marinella, Matthew
GP IEEE
TI The Future of Memory
SO 2013 IEEE AEROSPACE CONFERENCE
SE IEEE Aerospace Conference Proceedings
LA English
DT Proceedings Paper
CT IEEE Aerospace Conference
CY MAR 02-09, 2013
CL Big Sky, MT
SP IEEE
AB In the not too distant future, the traditional memory and storage hierarchy of may be replaced by a single Storage Class Memory (SCM) device integrated on or near the logic processor. Traditional magnetic hard drives, NAND flash, DRAM, and higher level caches (L2 and up) will be replaced with a single high performance memory device. The Storage Class Memory paradigm will require high speed (< 100 ns read/write), excellent endurance (> 1012), nonvolatility (retention > 10 years), and low switching energies (< 10 pJ per switch). The International Technology Roadmap for Semiconductors (ITRS) has recently evaluated several potential candidates SCM technologies, including Resistive (or Redox) RAM, Spin Torque Transfer RAM (STT-MRAM), and phase change memory (PCM). All of these devices show potential well beyond that of current flash technologies and research efforts are underway to improve the endurance, write speeds, and scalabilities to be on-par with DRAM. This progress has interesting implications for space electronics: each of these emerging device technologies show excellent resistance to the types of radiation typically found in space applications. Commercially developed, high density storage class memory-based systems may include a memory that is physically radiation hard, and suitable for space applications without major shielding efforts. This paper reviews the Storage Class Memory concept, emerging memory devices, and possible applicability to radiation hardened electronics for space.
C1 Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Marinella, M (reprint author), Sandia Natl Labs, POB 5800,MS 1084, Albuquerque, NM 87185 USA.
EM mmarine@sandia.gov
NR 24
TC 0
Z9 0
U1 1
U2 14
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 1095-323X
BN 978-1-4673-1811-2
J9 AEROSP CONF PROC
PY 2013
PG 11
WC Engineering, Aerospace; Engineering, Electrical & Electronic
SC Engineering
GA BFJ62
UT WOS:000320123903097
ER
PT S
AU Guo, TF
Wang, SQ
Samulyak, R
AF Guo, Tongfei
Wang, Shuqiang
Samulyak, Roman
BE Alexandrov, V
Lees, M
Krzhizhanovskaya, V
Dongarra, J
Sloot, PMA
TI Sharp Interface Algorithm for Large Density Ratio Incompressible
Multiphase Magnetohydrodynamic Flows
SO 2013 INTERNATIONAL CONFERENCE ON COMPUTATIONAL SCIENCE
SE Procedia Computer Science
LA English
DT Proceedings Paper
CT 13th Annual International Conference on Computational Science (ICCS)
CY JUN 05-07, 2013
CL Barcelona, SPAIN
SP Univ Amsterdam, Univ Tennessee, Nanyang Technol Univ, Barcelona Super Comp Ctr
DE Front tracking; multiphase MHD; liquid metal MHD
ID EMBEDDED BOUNDARY METHOD; NAVIER-STOKES EQUATIONS; FRONT-TRACKING
METHOD; IRREGULAR DOMAINS; POISSONS-EQUATION; HEAT-EQUATION; SYSTEMS
AB A numerical algorithm and the corresponding paralleled implementation for the study of magnetohydrodynamics (MHD) of large density ratio, three-dimensional multiphase flows at low magnetic Reynolds numbers have been developed. The algorithm employs the method of front tracking for the propagation of material interfaces and the embedded interface method for solving elliptic-parabolic problems associated with approximations of incompressible fluids and low magnetic Reynolds numbers. The use of embedded interface method supports arbitrary discontinuities of density and other physics properties across interfaces and significantly improves methods that smear interface discontinuities across several grid cells. The numerical algorithm has been implemented as an MHD extension of FronTier, a parallel front tracking hydrodynamic code, verified using asymptotic solutions and validated through the comparison with experiments on liquid metal jets. The FronTier-MHD code has been used for simulations of liquid mercury targets for the proposed muon collider/neutrino factory, ablation of pellets in tokamaks, and processes in hybrid magnetoinertial fusion.
C1 [Guo, Tongfei; Samulyak, Roman] SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA.
[Wang, Shuqiang; Samulyak, Roman] Brookhaven Natl Lab, Computat Sci Ctr, Upton, NY 11973 USA.
RP Samulyak, R (reprint author), SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA.
EM roman.samulyak@stonybrook.edu
RI Dongarra, Jack/E-3987-2014
FU Muon Accelerator Program of the US Department of Energy
FX This work was supported in part by the Muon Accelerator Program of the
US Department of Energy.
NR 26
TC 0
Z9 0
U1 0
U2 7
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1877-0509
J9 PROCEDIA COMPUT SCI
PY 2013
VL 18
BP 511
EP 520
DI 10.1016/j.procs.2013.05.215
PG 10
WC Computer Science, Theory & Methods
SC Computer Science
GA BFR52
UT WOS:000321051200052
ER
PT S
AU Chen, J
Li, TLH
AF Chen, Jie
Li, Tom L. H.
BE Alexandrov, V
Lees, M
Krzhizhanovskaya, V
Dongarra, J
Sloot, PMA
TI Parallelizing the conjugate gradient algorithm for multilevel Toeplitz
systems
SO 2013 INTERNATIONAL CONFERENCE ON COMPUTATIONAL SCIENCE
SE Procedia Computer Science
LA English
DT Proceedings Paper
CT 13th Annual International Conference on Computational Science (ICCS)
CY JUN 05-07, 2013
CL Barcelona, SPAIN
SP Univ Amsterdam, Univ Tennessee, Nanyang Technol Univ, Barcelona Super Comp Ctr
DE Toeplitz; conjugate gradient; FFT; all-reduction
ID LINEAR-EQUATIONS; MATRICES; PRECONDITIONERS
AB Multilevel Toeplitz linear systems appear in a wide range of scientific and engineering applications. While several fast direct solvers exist for the basic 1-level Toeplitz matrices, in the multilevel case an iterative solver provides the most general and practical solution. This paper proposes several parallelization techniques that enable an efficient implementation of the conjugate gradient algorithm for solving multilevel Toeplitz systems on distributed-memory machines. The two major differences between this implementation and that for a general sparse linear solver are (1) a communication-efficient approach to handle data expansion and truncation and data transpose simultaneously; (2) the interleaving of matrix-vector multiplications and vector inner product calculations to reduce synchronization cost and latency. Similar ideas can be applied to the implementation of other iterative methods for Toeplitz systems that are not necessarily symmetric positive definite. Scaling results are shown to demonstrate the usefulness of the proposed techniques.
C1 [Chen, Jie] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60517 USA.
[Li, Tom L. H.] Univ Missouri, Dept Math & Comp Sci, St Louis, MO 63121 USA.
RP Chen, J (reprint author), Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60517 USA.
EM jiechen@mcs.anl.gov; ll9n8@mail.umsl.edu
RI Dongarra, Jack/E-3987-2014
FU U.S. Department of Energy [DE-AC02-06CH11357]
FX This work was supported by the U.S. Department of Energy under Contract
DE-AC02-06CH11357. We gratefully acknowledge use of the Fusion cluster
in the Laboratory Computing Resource Center at Argonne National
Laboratory.
NR 31
TC 3
Z9 3
U1 0
U2 1
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1877-0509
J9 PROCEDIA COMPUT SCI
PY 2013
VL 18
BP 571
EP 580
DI 10.1016/j.procs.2013.05.221
PG 10
WC Computer Science, Theory & Methods
SC Computer Science
GA BFR52
UT WOS:000321051200058
ER
PT S
AU Jacob, R
Krishna, J
Xu, XB
Tautges, T
Grindeanu, I
Latham, R
Peterson, K
Bochev, P
Haley, M
Brown, D
Brownrigg, R
Shea, D
Huang, W
Middleton, D
AF Jacob, Robert
Krishna, Jayesh
Xu, Xiabing
Tautges, Tim
Grindeanu, Iulian
Latham, Rob
Peterson, Kara
Bochev, Pavel
Haley, Mary
Brown, David
Brownrigg, Richard
Shea, Dennis
Huang, Wei
Middleton, Don
BE Alexandrov, V
Lees, M
Krzhizhanovskaya, V
Dongarra, J
Sloot, PMA
TI ParNCL and ParGAL: Data-parallel tools for postprocessing of large-scale
Earth science data
SO 2013 INTERNATIONAL CONFERENCE ON COMPUTATIONAL SCIENCE
SE Procedia Computer Science
LA English
DT Proceedings Paper
CT 13th Annual International Conference on Computational Science (ICCS)
CY JUN 05-07, 2013
CL Barcelona, SPAIN
SP Univ Amsterdam, Univ Tennessee, Nanyang Technol Univ, Barcelona Super Comp Ctr
DE data analysis; data parallelism; postprocessing
ID PERFORMANCE; EQUATIONS; MODEL
AB Earth science high-performance applications often require extensive analysis of their output in order to complete the scientific goals or produce a visual image or animation. Often this analysis cannot be done in situ because it requires calculating time-series statistics from state sampled over the entire length of the run or analyzing the relationship between similar time series from previous simulations or observations. Many of the tools used for this postprocessing are not themselves high-performance applications, but the new Parallel Gridded Analysis Library (ParGAL) provides high-performance data-parallel versions of several common analysis algorithms for data from a structured or unstructured grid simulation. The library builds on several scalable systems, including the Mesh Oriented DataBase (MOAB), a library for representing mesh data that supports structured, unstructured finite element, and polyhedral grids; the Parallel-NetCDF (PNetCDF) library; and Intrepid, an extensible library for computing operators (such as gradient, curl, and divergence) acting on discretized fields. We have used ParGAL to implement a parallel version of the NCAR Command Language (NCL) a scripting language widely used in the climate community for analysis and visualization. The data-parallel algorithms in ParGAL/ParNCL are both higher performing and more flexible than their serial counterparts.
C1 [Jacob, Robert; Krishna, Jayesh; Xu, Xiabing; Tautges, Tim; Grindeanu, Iulian; Latham, Rob] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Peterson, Kara; Bochev, Pavel] Sandia Natl Labs, Albuquerque, NM 87123 USA.
[Haley, Mary; Brown, David; Brownrigg, Richard; Shea, Dennis; Huang, Wei; Middleton, Don] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
RP Jacob, R (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM jacob@mcs.anl.gov
RI Dongarra, Jack/E-3987-2014;
OI Jacob, Robert/0000-0002-9444-6593
FU Office of Biological and Environmental Research of the U.S. Department
of Energy's Office of Science [AC02-06CH11357]; U.S. National Science
Foundation via contributions from the National Center for Atmospheric
Research, Boulder, CO; U.S. Department of Energy's National Nuclear
Security Administration [DE-AC04-94AL85000]
FX This work is part of the Parallel Analysis Tools and New Visualization
Techniques for Ultra-Large Climate Data Sets (ParVis) project supported
by the Earth System Modeling Program of the Office of Biological and
Environmental Research of the U.S. Department of Energys Office of
Science under contract DE-AC02-06CH11357. The project is co-sponsored by
the U.S. National Science Foundation via contributions from the National
Center for Atmospheric Research, Boulder, CO. We gratefully acknowledge
the computing resources provided on Fusion, a 320-node computing cluster
operated by the Laboratory Computing Resource Center at Argonne National
Laboratory. 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 Energys National
Nuclear Security Administration under contract DE-AC04-94AL85000.
NR 24
TC 2
Z9 2
U1 0
U2 10
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1877-0509
J9 PROCEDIA COMPUT SCI
PY 2013
VL 18
BP 1245
EP 1254
DI 10.1016/j.procs.2013.05.291
PG 10
WC Computer Science, Theory & Methods
SC Computer Science
GA BFR52
UT WOS:000321051200128
ER
PT S
AU Utke, J
Rearden, BT
Lefebvre, RA
AF Utke, Jean
Rearden, Bradley T.
Lefebvre, Robert A.
BE Alexandrov, V
Lees, M
Krzhizhanovskaya, V
Dongarra, J
Sloot, PMA
TI Sensitivity analysis for mixed-language numerical models
SO 2013 INTERNATIONAL CONFERENCE ON COMPUTATIONAL SCIENCE
SE Procedia Computer Science
LA English
DT Proceedings Paper
CT 13th Annual International Conference on Computational Science (ICCS)
CY JUN 05-07, 2013
CL Barcelona, SPAIN
SP Univ Amsterdam, Univ Tennessee, Nanyang Technol Univ, Barcelona Super Comp Ctr
DE sensitivity analysis; mixed-programming languages; algorithmic
differentiation
ID AUTOMATIC DIFFERENTIATION; DERIVATIVE TENSORS
AB The separation of concerns in the development of numerical models not only leads to a separation into components but, based on their purpose, these components may also be written in different programming languages. The sensitivity analysis of a numerical model provides quantitative information about the dependencies of the model outputs with respect to its inputs. An analysis of mixed-language models using derivatives computed with algorithmic (or automatic) differentiation needs to comprehensively handle all the involved components and the respective interfaces in a mixed-language environment. We describe the issues arising in the context of the sensitivity analysis, present a solution implemented with the algorithmic differentiation tool Rapsodia for C++ and Fortran, and discuss its practical use in a large-scale engineering application.
C1 [Utke, Jean] Argonne Natl Lab, MCS, 9700 S Cass Ave, Argonne, IL 60437 USA.
[Rearden, Bradley T.; Lefebvre, Robert A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Utke, J (reprint author), Argonne Natl Lab, MCS, 9700 S Cass Ave, Argonne, IL 60437 USA.
EM utke@mcs.anl.gov
RI Dongarra, Jack/E-3987-2014
FU U.S. Department of Energy [DE-AC02-06CH11357]
FX Utke was supported by the U.S. Department of Energy, under contract
DE-AC02-06CH11357.
NR 18
TC 1
Z9 1
U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1877-0509
J9 PROCEDIA COMPUT SCI
PY 2013
VL 18
BP 1794
EP 1803
DI 10.1016/j.procs.2013.05.348
PG 10
WC Computer Science, Theory & Methods
SC Computer Science
GA BFR52
UT WOS:000321051200185
ER
PT S
AU Bazilevs, Y
Hsu, MC
Bement, MT
AF Bazilevs, Y.
Hsu, M. -C.
Bement, M. T.
BE Alexandrov, V
Lees, M
Krzhizhanovskaya, V
Dongarra, J
Sloot, PMA
TI Adjoint-Based Control of Fluid-Structure Interaction for Computational
Steering Applications
SO 2013 INTERNATIONAL CONFERENCE ON COMPUTATIONAL SCIENCE
SE Procedia Computer Science
LA English
DT Proceedings Paper
CT 13th Annual International Conference on Computational Science (ICCS)
CY JUN 05-07, 2013
CL Barcelona, SPAIN
SP Univ Amsterdam, Univ Tennessee, Nanyang Technol Univ, Barcelona Super Comp Ctr
DE Fluid-structure interaction; adjoint FSI formulation; adjoint-based
control; isogeometric analysis; computational steering; DDDAS
AB The primal and adjoint, time-dependent fluid-structure interaction (FSI) formulations are presented. A simple control strategy for FSI problems is formulated based on the information provided by the solution of the adjoint FSI problem. A well-known benchmark FSI problem is computed to demonstrate the effectiveness of the proposed technique. Such control strategies as proposed in this paper are useful for computational steering or so-called Dynamics Data Driven Application System (DDDAS) simulations, in which the computational model is adjusted to include the information coming from the measurement data, and control strategies may be employed to computationally steer the physical system toward desired behavior.
C1 [Bazilevs, Y.] Univ Calif San Diego, Dept Struct Engn, La Jolla, CA 92093 USA.
[Hsu, M. -C.] Univ Texas Austin, Inst Computat Engn & Sci, Austin, TX 78712 USA.
[Bement, M. T.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Bazilevs, Y (reprint author), Univ Calif San Diego, Dept Struct Engn, La Jolla, CA 92093 USA.
EM yuri@ucsd.edu
RI Dongarra, Jack/E-3987-2014; Hsu, Ming-Chen/J-1881-2012
OI Hsu, Ming-Chen/0000-0001-8062-8612
FU Air Force Office of Scientific Research [FA9550-12-1-0005]; Los AlamosUC
San Diego Educational Collaboration Fellowship
FX The lead author acknowledges the support of the Air Force Office of
Scientific Research Award FA9550-12-1-0005. M.-C. Hsu was supported
through the Los AlamosUC San Diego Educational Collaboration Fellowship.
NR 16
TC 13
Z9 13
U1 0
U2 4
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1877-0509
J9 PROCEDIA COMPUT SCI
PY 2013
VL 18
BP 1989
EP 1998
DI 10.1016/j.procs.2013.05.368
PG 10
WC Computer Science, Theory & Methods
SC Computer Science
GA BFR52
UT WOS:000321051200205
ER
PT S
AU Sisneros, R
Huang, J
Ostrouchov, G
Ahern, S
Semeraro, BD
AF Sisneros, Robert
Huang, Jian
Ostrouchov, George
Ahern, Sean
Semeraro, B. David
BE Alexandrov, V
Lees, M
Krzhizhanovskaya, V
Dongarra, J
Sloot, PMA
TI Contrasting Climate Ensembles: A Model-Based Visualization Approach for
Analyzing Extreme Events
SO 2013 INTERNATIONAL CONFERENCE ON COMPUTATIONAL SCIENCE
SE Procedia Computer Science
LA English
DT Proceedings Paper
CT 13th Annual International Conference on Computational Science (ICCS)
CY JUN 05-07, 2013
CL Barcelona, SPAIN
SP Univ Amsterdam, Univ Tennessee, Nanyang Technol Univ, Barcelona Super Comp Ctr
DE visualization; climate ensembles; multivariate classification
ID PROJECTIONS
AB The use of increasingly sophisticated means to simulate and observe natural phenomena has led to the production of larger and more complex data. As the size and complexity of this data increases, the task of data analysis becomes more challenging. Determining complex relationships among variables requires new algorithm development. Addressing the challenge of handling large data necessitates that algorithm implementations target high performance computing platforms. In this work we present a technique that allows a user to study the interactions among multiple variables in the same spatial extents as the underlying data. The technique is implemented in an existing parallel analysis and visualization framework in order that it be applicable to the largest datasets. The foundation of our approach is to classify data points via inclusion in, or distance to, multivariate representations of relationships among a subset of the variables of a dataset. We abstract the space in which inclusion is calculated and through various space transformations we alleviate the necessity to consider variables' scales and distributions when making comparisons. We apply this approach to the problem of highlighting variations in climate model ensembles.
C1 [Sisneros, Robert; Semeraro, B. David] Univ Illinois, Natl Ctr Supercomp Applicat, Urbana, IL 61801 USA.
[Huang, Jian] Univ Tennessee, Knoxville, TN 37996 USA.
[Ostrouchov, George; Ahern, Sean] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Sisneros, R (reprint author), Univ Illinois, Natl Ctr Supercomp Applicat, Urbana, IL 61801 USA.
EM sisneros@illinois.edu
RI Dongarra, Jack/E-3987-2014
NR 37
TC 3
Z9 3
U1 0
U2 8
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1877-0509
J9 PROCEDIA COMPUT SCI
PY 2013
VL 18
BP 2347
EP 2356
DI 10.1016/j.procs.2013.05.406
PG 10
WC Computer Science, Theory & Methods
SC Computer Science
GA BFR52
UT WOS:000321051200243
ER
PT S
AU Smith, B
Ricciuto, DM
Thornton, PE
Shipman, G
Steed, CA
Williams, D
Wehner, M
AF Smith, Brian
Ricciuto, Daniel M.
Thornton, Peter E.
Shipman, Galen
Steed, Chad A.
Williams, Dean
Wehner, Michael
BE Alexandrov, V
Lees, M
Krzhizhanovskaya, V
Dongarra, J
Sloot, PMA
TI ParCAT: Parallel Climate Analysis Toolkit
SO 2013 INTERNATIONAL CONFERENCE ON COMPUTATIONAL SCIENCE
SE Procedia Computer Science
LA English
DT Proceedings Paper
CT 13th Annual International Conference on Computational Science (ICCS)
CY JUN 05-07, 2013
CL Barcelona, SPAIN
SP Univ Amsterdam, Univ Tennessee, Nanyang Technol Univ, Barcelona Super Comp Ctr
DE Parallel Climate Analysis ParCAT
AB Climate science is employing increasingly complex models and simulations to analyze the past and predict the future of Earth's climate. This growth in complexity is creating a widening gap between the data being produced and the ability to analyze the datasets. Parallel computing tools are necessary to analyze, compare, and interpret the simulation data. The Parallel Climate Analysis Toolkit (ParCAT) provides basic tools to efficiently use parallel computing techniques to make analysis of these datasets manageable. The toolkit provides the ability to compute spatio-temporal means, differences between runs or differences between averages of runs, and histograms of the values in a data set. ParCAT is implemented as a command-line utility written in C. This allows for easy integration in other tools and allows for use in scripts. This also makes it possible to run ParCAT on many platforms from laptops to supercomputers. ParCAT outputs NetCDF files so it is compatible with existing utilities such as Panoply and UV-CDAT. This paper describes ParCAT and presents results from some example runs on the Titan system at ORNL. (C) 2013 The Authors. Published by Elsevier B.V. Selection and peer review under responsibility of the organizers of the 2013 International Conference on Computational Science
C1 [Smith, Brian; Ricciuto, Daniel M.; Thornton, Peter E.; Shipman, Galen; Steed, Chad A.] Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37830 USA.
[Williams, Dean] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Wehner, Michael] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Smith, B (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37830 USA.
EM smithbe@ornl.gov
RI Dongarra, Jack/E-3987-2014; Thornton, Peter/B-9145-2012; Ricciuto,
Daniel/I-3659-2016;
OI Thornton, Peter/0000-0002-4759-5158; Ricciuto,
Daniel/0000-0002-3668-3021; Steed, Chad/0000-0002-3501-909X
FU U.S. Department of Energy; Oak Ridge National Laboratory
[DE-AC05-00OR22725]; Office of Science of the U.S. Department of Energy
[DE-AC05-0OR22725]
FX This work is sponsored by the Office of Biological and Environmental
Research; U.S. Department of Energy. The work was performed at the Oak
Ridge National Laboratory, which is managed by UT-Battelle, LLC under
Contract No. DE-AC05-00OR22725. 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 U.S. Department of
Energy under Contract No. DE-AC05-0OR22725.
NR 6
TC 5
Z9 5
U1 0
U2 11
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1877-0509
J9 PROCEDIA COMPUT SCI
PY 2013
VL 18
BP 2367
EP 2375
DI 10.1016/j.procs.2013.05.408
PG 9
WC Computer Science, Theory & Methods
SC Computer Science
GA BFR52
UT WOS:000321051200245
ER
PT S
AU Mills, RT
Kumar, J
Hoffman, FM
Hargrove, WW
Spruce, JP
Norman, SP
AF Mills, Richard Tran
Kumar, Jitendra
Hoffman, Forrest M.
Hargrove, William W.
Spruce, Joseph P.
Norman, Steven P.
BE Alexandrov, V
Lees, M
Krzhizhanovskaya, V
Dongarra, J
Sloot, PMA
TI Identification and visualization of dominant patterns and anomalies in
remotely sensed vegetation phenology using a parallel tool for principal
components analysis
SO 2013 INTERNATIONAL CONFERENCE ON COMPUTATIONAL SCIENCE
SE Procedia Computer Science
LA English
DT Proceedings Paper
CT 13th Annual International Conference on Computational Science (ICCS)
CY JUN 05-07, 2013
CL Barcelona, SPAIN
SP Univ Amsterdam, Univ Tennessee, Nanyang Technol Univ, Barcelona Super Comp Ctr
DE phenology; MODIS; NDVI; remote sensing; principal components analysis;
singular value decomposition; data mining; anomaly detection; high
performance computing; parallel computing
ID DATA SETS; NETWORK; DELINEATION
AB We investigated the use of principal components analysis (PCA) to visualize dominant patterns and identify anomalies in a multi-year land surface phenology data set (231 m x 231 m normalized difference vegetation index (NDVI) values derived from the Moderate Resolution Imaging Spectroradiometer (MODIS)) used for detecting threats to forest health in the conterminous United States (CONUS). Our goal is to find ways that PCA can be used with this massive data set to automate the process of detecting forest disturbance and attributing it to particular agents. We briefly describe the parallel computational approaches we used to make PCA feasible, and present some examples in which we have used it to visualize the seasonal vegetation phenology for the CONUS and to detect areas where anomalous NDVI traces suggest potential threats to forest health.
C1 [Mills, Richard Tran; Kumar, Jitendra; Hoffman, Forrest M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Mills, RT (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM rmills@ornl.gov
RI Dongarra, Jack/E-3987-2014; Kumar, Jitendra/G-8601-2013; Hoffman,
Forrest/B-8667-2012
OI Kumar, Jitendra/0000-0002-0159-0546; Hoffman,
Forrest/0000-0001-5802-4134
NR 13
TC 3
Z9 3
U1 1
U2 9
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1877-0509
J9 PROCEDIA COMPUT SCI
PY 2013
VL 18
BP 2396
EP 2405
DI 10.1016/j.procs.2013.05.411
PG 10
WC Computer Science, Theory & Methods
SC Computer Science
GA BFR52
UT WOS:000321051200248
ER
PT J
AU Senesi, AJ
Eichelsdoerfer, DJ
Macfarlane, RJ
Jones, MR
Auyeung, E
Lee, B
Mirkin, CA
AF Senesi, Andrew J.
Eichelsdoerfer, Daniel J.
Macfarlane, Robert J.
Jones, Matthew R.
Auyeung, Evelyn
Lee, Byeongdu
Mirkin, Chad A.
TI Stepwise Evolution of DNA-Programmable Nanoparticle Superlattices
SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
LA English
DT Article
DE colloidal crystals; DNA; nanomaterials; nanoparticle superlattice; X-ray
diffraction
ID NANOCRYSTAL SUPERLATTICES; THIN-FILMS; COLLOIDAL CRYSTALS;
BUILDING-BLOCKS; CRYSTALLIZATION; GROWTH; PARTICLES; LAYERS
C1 [Senesi, Andrew J.; Eichelsdoerfer, Daniel J.; Macfarlane, Robert J.; Mirkin, Chad A.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
[Jones, Matthew R.; Auyeung, Evelyn; Mirkin, Chad A.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA.
[Lee, Byeongdu] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA.
RP Lee, B (reprint author), Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM blee@anl.gov; chadnano@northwestern.edu
RI Mirkin, Chad/E-3911-2010;
OI Lee, Byeongdu/0000-0003-2514-8805; Jones, Matthew/0000-0002-9289-291X
FU AFOSR [FA9550-11-1-0275, FA9550-09-1-0294, FA2386-10-1-4065]; Department
of the Navy/ONR [N00014-11-1-0729]; DoD/NSSEFF/NPS [N00244-09-1-0012,
N00244-09-1-0071]; Non-Equilibrium Energy Research Center (NERC), an
Energy Frontier Research Center; DoE/Office of Science/Office of Basic
Energy Sciences [DE-SC0000989]; DoD, Air Force Office of Scientific
Research, National Defense Science and Engineering Graduate (NDSEG) [32
CFR 168a]; NSF; U.S. DOE [DE-AC02-06CH11357]
FX C. A. M. acknowledges support from AFOSR Awards FA9550-11-1-0275 and
FA9550-09-1-0294, AOARD Award FA2386-10-1-4065, Department of the
Navy/ONR Award N00014-11-1-0729, DoD/NSSEFF/NPS Awards N00244-09-1-0012
and N00244-09-1-0071, and the Non-Equilibrium Energy Research Center
(NERC), an Energy Frontier Research Center funded by DoE/Office of
Science/Office of Basic Energy Sciences Award DE-SC0000989. D.J.E. and
E.A. acknowledge support from the DoD, Air Force Office of Scientific
Research, National Defense Science and Engineering Graduate (NDSEG)
Fellowship, 32 CFR 168a. M.R.J. acknowledges a Graduate Research
Fellowship from the NSF. Portions of this work were carried out at
beamline 12-ID-B at the Advance Photon Source (APS). Use of the APS, an
Office of Science User Facility operated for the U. S. Department of
Energy (DOE) Office of Science by Argonne National Laboratory, was
supported by the U.S. DOE under contract no. DE-AC02-06CH11357. Electron
microscopy was performed at the EPIC facility of the NUANCE Center at
Northwestern University.
NR 38
TC 36
Z9 36
U1 5
U2 102
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY
SN 1433-7851
J9 ANGEW CHEM INT EDIT
JI Angew. Chem.-Int. Edit.
PY 2013
VL 52
IS 26
BP 6624
EP 6628
DI 10.1002/anie.201301936
PG 5
WC Chemistry, Multidisciplinary
SC Chemistry
GA 168VJ
UT WOS:000320733600009
PM 23681747
ER
PT J
AU Li, T
Zan, XJ
Winans, RE
Wang, Q
Lee, B
AF Li, Tao
Zan, Xingjie
Winans, Randall E.
Wang, Qian
Lee, Byeongdu
TI Biomolecular Assembly of Thermoresponsive Superlattices of the Tobacco
Mosaic Virus with Large Tunable Interparticle Distances
SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
LA English
DT Article
DE depletion force; self-assembly; stimulus-responsive materials;
superlattices; viruses
ID AQUEOUS-SOLUTION; NANOPARTICLE SUPERLATTICES; CARBOXYMETHYL CELLULOSE;
PERSISTENCE LENGTH; LIGHT-SCATTERING; ELECTRIC-FIELD; DNA;
CRYSTALLIZATION; PARTICLES; GELS
C1 [Li, Tao; Winans, Randall E.; Lee, Byeongdu] Argonne Natl Lab, Xray Sci Div, Lemont, IL 60439 USA.
[Zan, Xingjie; Wang, Qian] Univ S Carolina, Dept Chem & Biochem, Columbia, SC 29208 USA.
RP Wang, Q (reprint author), Univ S Carolina, Dept Chem & Biochem, Columbia, SC 29208 USA.
EM wang263@mailbox.sc.edu; blee@aps.anl.gov
RI li, tao/K-8911-2012;
OI li, tao/0000-0001-5454-1468; Lee, Byeongdu/0000-0003-2514-8805
FU US DOE [DE-AC02-06CH11357, DE-SC0001477]; US NSF [CHE-0748690]; US DSF
[DMR-0706431]; US DoD [W911NF-09-1-0236]; W. M. Keck Foundation
FX T.L. and B. L. are thankful for the 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; the use
of this facility was supported by the US DOE under Contract No.
DE-AC02-06CH11357. Q. W. is grateful for financial support from the US
NSF (CHE-0748690), the US DSF (DMR-0706431), the US DoD
(W911NF-09-1-0236), the US DOE (DE-SC0001477), and the W. M. Keck
Foundation. We thank Dr. A. J. Senesi for helpful discussions.
NR 48
TC 20
Z9 20
U1 4
U2 41
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY
SN 1433-7851
J9 ANGEW CHEM INT EDIT
JI Angew. Chem.-Int. Edit.
PY 2013
VL 52
IS 26
BP 6638
EP 6642
DI 10.1002/anie.201209299
PG 5
WC Chemistry, Multidisciplinary
SC Chemistry
GA 168VJ
UT WOS:000320733600012
PM 23681591
ER
PT S
AU Wilson, RC
Doudna, JA
AF Wilson, Ross C.
Doudna, Jennifer A.
BE Dill, KA
TI Molecular Mechanisms of RNA Interference
SO ANNUAL REVIEW OF BIOPHYSICS, VOL 42
SE Annual Review of Biophysics
LA English
DT Review; Book Chapter
DE miRNA; siRNA; RNAi; dsRNA; Argonaute; Dicer; RISC; ribonucleoproteins;
crystallography
ID MEDIATED TRANSLATIONAL REPRESSION; EUKARYOTIC ARGONAUTE PROTEIN;
RISC-LOADING COMPLEX; CRYSTAL-STRUCTURE; HUMAN DICER; STRUCTURAL
INSIGHTS; STRAND SELECTION; PIRNA BIOGENESIS; RIBONUCLEASE-III; HELICASE
DOMAIN
AB Small RNA molecules regulate eukaryotic gene expression during development and in response to stresses including viral infection. Specialized ribonucleases and RNA-binding proteins govern the production and action of small regulatory RNAs. After initial processing in the nucleus by Drosha, precursor microRNAs (pre-miRNAs) are transported to the cytoplasm, where Dicer cleavage generates mature microRNAs (miRNAs) and short interfering RNAs (siRNAs). These double-stranded products assemble with Argonaute proteins such that one strand is preferentially selected and used to guide sequence-specific silencing of complementary target mRNAs by endonucleolytic cleavage or translational repression. Molecular structures of Dicer and Argonaute proteins, and of RNA-bound complexes, have offered exciting insights into the mechanisms operating at the heart of RNA-silencing pathways.
C1 [Doudna, Jennifer A.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA.
[Wilson, Ross C.; Doudna, Jennifer A.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA.
[Doudna, Jennifer A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Doudna, Jennifer A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
RP Wilson, RC (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA.
EM doudna@berkeley.edu
FU NIGMS NIH HHS [F32GM096689]
NR 103
TC 218
Z9 231
U1 27
U2 176
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 1936-122X
BN 978-0-8243-1842-0
J9 ANNU REV BIOPHYS
JI Annu. Rev. Biophys.
PY 2013
VL 42
BP 217
EP 239
DI 10.1146/annurev-biophys-083012-130404
PG 23
WC Biophysics
SC Biophysics
GA BFW68
UT WOS:000321695700011
PM 23654304
ER
PT S
AU Adams, PD
Baker, D
Brunger, AT
Das, R
DiMaio, F
Read, RJ
Richardson, DC
Richardson, JS
Terwilliger, TC
AF Adams, Paul D.
Baker, David
Brunger, Axel T.
Das, Rhiju
DiMaio, Frank
Read, Randy J.
Richardson, David C.
Richardson, Jane S.
Terwilliger, Thomas C.
BE Dill, KA
TI Advances, Interactions, and Future Developments in the CNS, Phenix, and
Rosetta Structural Biology Software Systems
SO ANNUAL REVIEW OF BIOPHYSICS, VOL 42
SE Annual Review of Biophysics
LA English
DT Review; Book Chapter
DE molecular replacement; experimental phasing; structure refinement; model
building; validation; physically realistic potential functions; low
resolution
ID CRYSTALLOGRAPHIC STRUCTURE REFINEMENT; PROTEIN-STRUCTURE REFINEMENT;
X-RAY CRYSTALLOGRAPHY; MOLECULAR-REPLACEMENT; STRUCTURE PREDICTION;
CRYSTAL-STRUCTURE; ANOMALOUS DIFFRACTION; LOW-RESOLUTION; STRUCTURE
VALIDATION; TRYPSIN-INHIBITOR
AB Advances in our understanding of macromolecular structure come from experimental methods, such as X-ray crystallography, and also computational analysis of the growing number of atomic models obtained from such experiments. The later analyses have made it possible to develop powerful tools for structure prediction and optimization in the absence of experimental data. In recent years, a synergy between these computational methods for crystallographic structure determination and structure prediction and optimization has begun to be exploited. We review some of the advances in the algorithms used for crystallographic structure determination in the Phenix and Crystallography & NMR System software packages and describe how methods from ab initio structure prediction and refinement in Rosetta have been applied to challenging crystallographic problems. The prospects for future improvement of these methods are discussed.
C1 [Adams, Paul D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Adams, Paul D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA.
[Baker, David; DiMaio, Frank] Univ Washington, Dept Biochem, Seattle, WA 98195 USA.
[Brunger, Axel T.] Stanford Univ, Howard Hughes Med Inst, Stanford, CA 94305 USA.
[Brunger, Axel T.] Stanford Univ, Dept Mol & Cellular Physiol, Stanford, CA 94305 USA.
[Brunger, Axel T.] Stanford Univ, Dept Neurol & Neurol Sci, Stanford, CA 94305 USA.
[Brunger, Axel T.] Stanford Univ, Dept Biol Struct, Stanford, CA 94305 USA.
[Brunger, Axel T.] Stanford Univ, Dept Photon Sci, Stanford, CA 94305 USA.
[Das, Rhiju] Stanford Univ, Dept Biochem, Stanford, CA 94305 USA.
[Das, Rhiju] Stanford Univ, Dept Phys, Stanford, CA 94305 USA.
[Read, Randy J.] Cambridge Inst Med Res, Cambridge CB2 0XY, England.
[Richardson, David C.; Richardson, Jane S.] Duke Univ, Dept Biochem, Durham, NC 27710 USA.
[Terwilliger, Thomas C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Adams, PD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM PDAdams@lbl.gov; dabaker@u.washington.edu; brunger@stanford.edu;
rhiju@stanford.edu; dimaio@u.washington.edu; rjr27@cam.ac.uk;
dcrjsr@kinemage.biochem.duke.edu; terwilliger@lanl.gov
RI Read, Randy/L-1418-2013; Terwilliger, Thomas/K-4109-2012; Adams,
Paul/A-1977-2013; Baker, David/K-8941-2012;
OI Read, Randy/0000-0001-8273-0047; Terwilliger,
Thomas/0000-0001-6384-0320; Adams, Paul/0000-0001-9333-8219; Baker,
David/0000-0001-7896-6217; Brunger, Axel/0000-0001-5121-2036
FU NIGMS NIH HHS [P01 GM063210, GM063210, GM092802-03, R21 GM102716, R21
GM102718-01]; Wellcome Trust [082961]
NR 101
TC 26
Z9 26
U1 1
U2 49
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 1936-122X
BN 978-0-8243-1842-0
J9 ANNU REV BIOPHYS
JI Annu. Rev. Biophys.
PY 2013
VL 42
BP 265
EP 287
DI 10.1146/annurev-biophys-083012-130253
PG 23
WC Biophysics
SC Biophysics
GA BFW68
UT WOS:000321695700013
PM 23451892
ER
PT S
AU Rambo, RP
Tainer, JA
AF Rambo, Robert P.
Tainer, John A.
BE Dill, KA
TI Super-Resolution in Solution X-Ray Scattering and Its Applications to
Structural Systems Biology
SO ANNUAL REVIEW OF BIOPHYSICS, VOL 42
SE Annual Review of Biophysics
LA English
DT Review; Book Chapter
DE macromolecular flexibility; macromolecular interactions; dynamic
complexes; X-ray scattering data analysis; SAXS model validation;
solution structure quality control metrics
ID SMALL-ANGLE SCATTERING; INTRINSICALLY DISORDERED PROTEINS; RESIDUAL
DIPOLAR COUPLINGS; LARGE RNA MOLECULES; LOW-RESOLUTION DATA;
ESCHERICHIA-COLI; DEOXYRIBONUCLEIC-ACID; NEUTRON-SCATTERING;
RIBOSOMAL-SUBUNIT; MACROMOLECULAR STRUCTURES
AB Small-angle X-ray scattering (SAXS) is a robust technique for the comprehensive structural characterizations of biological macromolecular complexes in solution. Here, we present a coherent synthesis of SAXS theory and experiment with a focus on analytical tools for accurate, objective, and high-throughput investigations. Perceived SAXS limitations are considered in light of its origins, and we present current methods that extend SAXS data analysis to the super-resolution regime. In particular, we discuss hybrid structural methods, illustrating the role of SAXS in structure refinement with NMR and ensemble refinement with single-molecule FRET. High-throughput genomics and proteomics are far outpacing macromolecular structure determinations, creating information gaps between the plethora of newly identified genes, known structures, and the structure-function relationship in the underlying biological networks. SAXS can bridge these information gaps by providing a reliable, high-throughput structural characterization of macromolecular complexes under physiological conditions.
C1 [Rambo, Robert P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Tainer, John A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
[Tainer, John A.] Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA.
[Tainer, John A.] Scripps Res Inst, Skaggs Inst Chem Biol, La Jolla, CA 92037 USA.
RP Rambo, RP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
EM rprambo@lbl.gov; jat@scripps.edu
FU NCI NIH HHS [P01 CA092584]; NIGMS NIH HHS [R01 GM105404, R01GM105404]
NR 132
TC 66
Z9 67
U1 2
U2 55
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 1936-122X
BN 978-0-8243-1842-0
J9 ANNU REV BIOPHYS
JI Annu. Rev. Biophys.
PY 2013
VL 42
BP 415
EP 441
DI 10.1146/annurev-biophys-083012-130301
PG 27
WC Biophysics
SC Biophysics
GA BFW68
UT WOS:000321695700019
PM 23495971
ER
PT J
AU Garrett, TJ
Zhao, C
AF Garrett, T. J.
Zhao, C.
TI Ground-based remote sensing of thin clouds in the Arctic
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID MIXED-PHASE CLOUDS; LIQUID WATER; PART I; RADIATION PROPERTIES;
OPTICAL-CONSTANTS; BEAUFORT SEA; ICE-CLOUD; SURFACE; SHEBA; STRATUS
AB This paper describes a method for using interferometer measurements of downwelling thermal radiation to retrieve the properties of single-layer clouds. Cloud phase is determined from ratios of thermal emission in three "micro-windows" at 862.5 cm(-1), 935.8 cm(-1), and 988.4cm(-1) where absorption by water vapour is particularly small. Cloud microphysical and optical properties are retrieved from thermal emission in the first two of these micro-windows, constrained by the transmission through clouds of primarily stratospheric ozone emission at 1040 cm(-1). Assuming a cloud does not approximate a blackbody, the estimated 95 % confidence retrieval errors in effective radius r(e), visible optical depth tau, number concentration N, and water path WP are, respectively, 10%, 20%, 38 % (55 % for ice crystals), and 16%. Applied to data from the Atmospheric Radiation Measurement programme (ARM) North Slope of Alaska Adjacent Arctic Ocean (NSA-AAO) site near Barrow, Alaska, retrievals show general agreement with both ground-based microwave radiometer measurements of liquid water path and a method that uses combined shortwave and microwave measurements to retrieve r(e), tau and N. Compared to other retrieval methods, advantages of this technique include its ability to characterise thin clouds year round, that water vapour is not a primary source of retrieval error, and that the retrievals of microphysical properties are only weakly sensitive to retrieved cloud phase. The primary limitation is the inapplicability to thicker clouds that radiate as blackbodies and that it relies on a fairly comprehensive suite of ground based measurements.
C1 [Garrett, T. J.] Univ Utah, Dept Atmospher Sci, Salt Lake City, UT 84112 USA.
[Zhao, C.] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Zhao, C.] Beijing Normal Univ, Coll Global Change & Earth Syst Sci, Beijing 100875, Peoples R China.
RP Garrett, TJ (reprint author), Univ Utah, Dept Atmospher Sci, Salt Lake City, UT 84112 USA.
EM tim.garrett@utah.edu
RI Zhao, Chuanfeng/G-8546-2013
FU National Science Foundation [0303962, 0649570]; Clean Air Task Force,
through NOAA [2308014]; Ministry of Science and Technology of China
[2013CB955804]
FX This work was supported by the National Science Foundation through
grants 0303962 and 0649570, the Clean Air Task Force, through NOAA by
grant 2308014, and the Ministry of Science and Technology of China
through grant 2013CB955804. We are grateful to the late P. V. Hobbs for
having provided aircraft data, the Word Data Center for Remote Sensing
of the Atmosphere for ozone profile data, X. Dong for his cloud
retrieval product, and Jay Mace and Sally Benson for plots of the lidar
and radar signals.
NR 71
TC 9
Z9 9
U1 0
U2 15
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1867-1381
J9 ATMOS MEAS TECH
JI Atmos. Meas. Tech.
PY 2013
VL 6
IS 5
BP 1227
EP 1243
DI 10.5194/amt-6-1227-2013
PG 17
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 181OU
UT WOS:000321679200009
ER
PT J
AU Nabat, P
Somot, S
Mallet, M
Chiapello, I
Morcrette, JJ
Solmon, F
Szopa, S
Dulac, F
Collins, W
Ghan, S
Horowitz, LW
Lamarque, JF
Lee, YH
Naik, V
Nagashima, T
Shindell, D
Skeie, R
AF Nabat, P.
Somot, S.
Mallet, M.
Chiapello, I.
Morcrette, J. J.
Solmon, F.
Szopa, S.
Dulac, F.
Collins, W.
Ghan, S.
Horowitz, L. W.
Lamarque, J. F.
Lee, Y. H.
Naik, V.
Nagashima, T.
Shindell, D.
Skeie, R.
TI A 4-D climatology (1979-2009) of the monthly tropospheric aerosol
optical depth distribution over the Mediterranean region from a
comparative evaluation and blending of remote sensing and model products
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID GLOBAL 3-DIMENSIONAL MODEL; SAHARAN DUST; ATMOSPHERIC CORRECTION;
CARBONACEOUS AEROSOLS; AERONET OBSERVATIONS; SYSTEM MODEL; OCEAN;
SATELLITE; SIMULATIONS; SEAWIFS
AB Since the 1980s several spaceborne sensors have been used to retrieve the aerosol optical depth (AOD) over the Mediterranean region. In parallel, AOD climatologies coming from different numerical model simulations are now also available, permitting to distinguish the contribution of several aerosol types to the total AOD. In this work, we perform a comparative analysis of this unique multiyear database in terms of total AOD and of its apportionment by the five main aerosol types (soil dust, sea-salt, sulfate, black and organic carbon). We use 9 different satellite-derived monthly AOD products: NOAA/AVHRR, SeaWiFS (2 products), TERRA/MISR, TERRA/MODIS, AQUA/MODIS, ENVISAT/MERIS, PARASOL/POLDER and MSG/SEVIRI, as well as 3 more historical datasets: NIMBUS7/CZCS, TOMS (onboard NIMBUS7 and Earth- Probe) and METEOSAT/MVIRI. Monthly model datasets include the aerosol climatology from Tegen et al. (1997), the climate-chemistry models LMDz-OR-INCA and RegCM-4, the multi-model mean coming from the ACCMIP exercise, and the reanalyses GEMS and MACC. Ground-based Level-2 AERONET AOD observations from 47 stations around the basin are used here to evaluate the model and satellite data. The sensor MODIS (on AQUA and TERRA) has the best average AOD scores over this region, showing a relevant spatio-temporal variability and highlighting high dust loads over Northern Africa and the sea (spring and summer), and sulfate aerosols over continental Europe (summer). The comparison also shows limitations of certain datasets (especially MERIS and SeaWiFS standard products). Models reproduce the main patterns of the AOD variability over the basin. The MACC reanalysis is the closest to AERONET data, but appears to underestimate dust over Northern Africa, where RegCM-4 is found closer to MODIS thanks to its interactive scheme for dust emissions. The vertical dimension is also investigated using the CALIOP instrument. This study confirms differences of vertical distribution between dust aerosols showing a large vertical spread, and other continental and marine aerosols which are confined in the boundary layer. From this compilation, we propose a 4-D blended product from model and satellite data, consisting in monthly time series of 3-D aerosol distribution at a 50 km horizontal resolution over the Euro-Mediterranean marine and continental region for the 2003-2009 period. The product is based on the total AOD from AQUA/MODIS, apportioned into sulfates, black and organic carbon from the MACC reanalysis, and into dust and sea-salt aerosols from RegCM-4 simulations, which are distributed vertically based on CALIOP climatology. We extend the 2003-2009 reconstruction to the past up to 1979 using the 2003-2009 average and applying the decreasing trend in sulfate aerosols from LMDz-OR-INCA, whose AOD trends over Europe and the Mediterranean are median among the ACCMIP models. Finally optical properties of the different aerosol types in this region are proposed from Mie calculations so that this reconstruction can be included in regional climate models for aerosol radiative forcing and aerosol-climate studies.
C1 [Nabat, P.; Somot, S.] Meteo France, CNRS CNRM GAME, UMR3589, Ctr Natl Rech Meteorol, F-31057 Toulouse 1, France.
[Mallet, M.] Lab Aerol, UMR 5560, F-31400 Toulouse, France.
[Chiapello, I.] Univ Lille 1, CNRS, UMR 8518, Opt Atmospher Lab, F-59655 Villeneuve Dascq, France.
[Morcrette, J. J.] European Ctr Medium Range Weather Forecasts, Reading, Berks, England.
[Solmon, F.] Abdus Salam Int Ctr Theroret Phys, I-34100 Trieste, Italy.
[Szopa, S.; Dulac, F.] CEA CNRS UVSQ, LSCE IPSL, Lab Sci Climat & Environm, F-91191 Gif Sur Yvette, France.
[Collins, W.] Univ Reading, Dept Meteorol, Reading RG6 2AH, Berks, England.
[Ghan, S.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Horowitz, L. W.] NOAA, Geophys Fluid Dynam Lab, Princeton, NJ USA.
[Lamarque, J. F.] Natl Ctr Atmospher Res, NCAR Earth Syst Lab, Boulder, CO 80307 USA.
[Lee, Y. H.; Shindell, D.] NASA, Goddard Inst Space Studies, New York, NY 10025 USA.
[Lee, Y. H.; Shindell, D.] NASA, Columbia Earth Inst, New York, NY 10025 USA.
[Naik, V.] NOAA, UCAR, Geophys Fluid Dynam Lab, Princeton, NJ USA.
[Nagashima, T.] Natl Inst Environm Studies, Tsukuba, Ibaraki, Japan.
[Skeie, R.] CICERO, Oslo, Norway.
RP Nabat, P (reprint author), Meteo France, CNRS CNRM GAME, UMR3589, Ctr Natl Rech Meteorol, 42 Ave G Coriolis, F-31057 Toulouse 1, France.
EM pierre.nabat@meteo.fr
RI Collins, William/A-5895-2010; Szopa, Sophie/F-8984-2010; Shindell,
Drew/D-4636-2012; Horowitz, Larry/D-8048-2014; Naik,
Vaishali/A-4938-2013; Lamarque, Jean-Francois/L-2313-2014; Skeie,
Ragnhild/K-1173-2015; Ghan, Steven/H-4301-2011; Lee, Yunha/Q-7222-2016
OI Somot, Samuel/0000-0002-5066-2921; Collins, William/0000-0002-7419-0850;
Szopa, Sophie/0000-0002-8641-1737; Horowitz, Larry/0000-0002-5886-3314;
Naik, Vaishali/0000-0002-2254-1700; Lamarque,
Jean-Francois/0000-0002-4225-5074; Skeie, Ragnhild/0000-0003-1246-4446;
Ghan, Steven/0000-0001-8355-8699; Lee, Yunha/0000-0001-7478-2672
FU French National Research Agency (ANR) project ADRIMED
[ANR-11-BS56-0006]; FP7 European Commission project CLIMRUN
[FP7-ENV-2010-265192]; European Commission [SIP4-CT-2004-516099]; MACC
[218793]; National Science Foundation; Office of Science (BER) of the US
Department of Energy
FX We would like to thank Meteo-France for the financial support of the
first author. This work is part of the Med-CORDEX initiative
(www.medcordex.eu) and a contribution to the HyMeX and ChArMEx
programmes. This new AOD climatology is indeed available on the ChArMEx
database (http://mistrals.sedoo.fr/ChArMEx). This research has received
funding from the French National Research Agency (ANR) project ADRIMED
(contract ANR-11-BS56-0006) and from the FP7 European Commission project
CLIMRUN (contract FP7-ENV-2010-265192). MODIS and MERIS data used in
this paper were retrieved from the Giovanni online data system,
developed and maintained by the NASA GES DISC. MISR and CALIOP data were
obtained from the NASA Langley Research Center Atmospheric Science Data
Center, SeaWiFS and CZCS data from the NASA Ocean Biology Processing
Group, AVHRR data from the NOAA/National Climatic Data Center and TOMS
data from the NASA/GSFC TOMS group. We also thank the ICARE Data and
Services Center for providing access to the PARASOL and SEVIRI data used
in this study, and Cyril Moulin for providing his historical MVIRI data.
We thank the PI investigators of the different AERONET stations and
their staff for establishing and maintaining all the sites used in this
investigation. GEMS was funded by the European Commission between 2004
and 2009 as part of the 6th Framework Programme under contract number
SIP4-CT-2004-516099, and MACC was funded between 2009 and 2011 as part
of the 7th Framework Programme, pilot core GMES Atmospheric Service
under contract number 218793. We thank all the people taking part in the
ACCMIP project, notably other scientists involved in the development of
models, namely Toshihiko Takemura and Kengo Sudo for MIROC-CHEM, Stig
Dalsoren for CICERO-OsloCTM2, and Greg Faluvegi for GISS-E2-R. The CESM
project (which includes NCAR-CAM3.5 and NCAR-CAM5.1) is supported by the
National Science Foundation and the Office of Science (BER) of the US
Department of Energy. The National Center for Atmospheric Research is
operated by the University Corporation for Atmospheric Research under
sponsorship of the National Science Foundation.
NR 124
TC 33
Z9 33
U1 2
U2 35
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1867-1381
EI 1867-8548
J9 ATMOS MEAS TECH
JI Atmos. Meas. Tech.
PY 2013
VL 6
IS 5
BP 1287
EP 1314
DI 10.5194/amt-6-1287-2013
PG 28
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 181OU
UT WOS:000321679200013
ER
PT J
AU Morgado, L
Dantas, JM
Simoes, T
Londer, YY
Pokkuluri, PR
Salgueiro, CA
AF Morgado, Leonor
Dantas, Joana M.
Simoes, Telma
Londer, Yuri Y.
Raj Pokkuluri, P.
Salgueiro, Carlos A.
TI Role of Met(58) in the regulation of electron/proton transfer in trihaem
cytochrome PpcA from Geobacter sulfurreducens
SO BIOSCIENCE REPORTS
LA English
DT Article
DE electron transfer; Geobacter; multihaem cytochrome; NMR site-directed
mutagenesis
ID C-TYPE CYTOCHROME; ESCHERICHIA-COLI; THERMODYNAMIC CHARACTERIZATION;
SUBSURFACE ENVIRONMENTS; DESULFOVIBRIO-VULGARIS; RESIDUE F-15; C(7);
FAMILY; REDUCTION; FE(III)
AB The bacterium Gs (Geobacter sulfurreducens) is capable of oxidizing a large variety of compounds relaying electrons out of the cytoplasm and across the membranes in a process designated as extracellular electron transfer. The trihaem cytochrome PpcA is highly abundant in Gs and is most probably the reservoir of electrons destined for the outer surface. In addition to its role in electron transfer pathways, we have previously shown that this protein could perform e(-)/H+ energy transduction. This mechanism is achieved by selecting the specific redox states that the protein can access during the redox cycle and might be related to the formation of proton electrochemical potential gradient across the periplasmic membrane. The regulatory role of haem III in the functional mechanism of PpcA was probed by replacing Met(58), a residue that controls the solvent accessibility of haem III, with serine, aspartic acid, asparagine or lysine. The data obtained from the mutants showed that the preferred e(-)/H+ transfer pathway observed for PpcA is strongly dependent on the reduction potential of haem III. It is striking to note that one residue can fine tune the redox states that can be accessed by the trihaem cytochrome enough to alter the functional pathways.
C1 [Morgado, Leonor; Dantas, Joana M.; Simoes, Telma; Salgueiro, Carlos A.] Univ Nova Lisboa, Fac Ciencias & Tecnol, Dept Quim, Requimte CQFB, P-2829516 Caparica, Portugal.
[Londer, Yuri Y.; Raj Pokkuluri, P.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA.
RP Salgueiro, CA (reprint author), Univ Nova Lisboa, Fac Ciencias & Tecnol, Dept Quim, Requimte CQFB, Campus Caparica, P-2829516 Caparica, Portugal.
EM csalgueiro@fct.unl.pt
RI Caparica, cqfb_staff/H-2611-2013; REQUIMTE, AL/H-9106-2013; Salgueiro,
Carlos/A-4522-2013; REQUIMTE, UCIBIO/N-9846-2013; Caparica,
PTNMR/E-5112-2013; Morgado, Leonor/D-7387-2013; Dantas,
Joana/B-8275-2017
OI Salgueiro, Carlos/0000-0003-1136-809X; Morgado,
Leonor/0000-0002-3760-5180; Dantas, Joana/0000-0002-4852-7608
FU Fundacao para a Ciencia e Tecnologia (Portugal) [PTDC/QUI/70182/2006,
PEst-C/EQB/LA006/2011]; Fundacao para a Ciencia e a Tecnologia (FCT);
U.S. Department of Energy Office of Biological and Environmental
Research [DE-AC02-06CH11357]; division of Chemical Sciences,
Geosciences, and Biosciences, Office of Basic Energy Sciences of the
U.S. Department of Energy [DE-AC02-06CH11357]
FX This work was supported by the Fundacao para a Ciencia e Tecnologia
(Portugal) [grant numbers PTDC/QUI/70182/2006, PEst-C/EQB/LA006/2011].
The NMR spectrometers are part of the National NMR Network (RNRMN) and
are funded by the Fundacao para a Ciencia e a Tecnologia (FCT). The
Met58 mutants were produced at ANL with support from U.S.
Department of Energy Office of Biological and Environmental Research
[grant number DE-AC02-06CH11357]. The structural analysis of the mutants
is supported by the division of Chemical Sciences, Geosciences, and
Biosciences, Office of Basic Energy Sciences of the U.S. Department of
Energy [grant number DE-AC02-06CH11357].
NR 34
TC 7
Z9 7
U1 0
U2 5
PU PORTLAND PRESS LTD
PI LONDON
PA THIRD FLOOR, EAGLE HOUSE, 16 PROCTER STREET, LONDON WC1V 6 NX, ENGLAND
SN 0144-8463
J9 BIOSCIENCE REP
JI Biosci. Rep.
PY 2013
VL 33
BP 11
EP U28
AR UNSP e00002
DI 10.1042/BSR20120086
PN 1
PG 16
WC Biochemistry & Molecular Biology; Cell Biology
SC Biochemistry & Molecular Biology; Cell Biology
GA 175PJ
UT WOS:000321242600002
PM 23030844
ER
PT J
AU He, YB
Furukawa, H
Wu, CD
O'Keeffe, M
Krishna, R
Chen, BL
AF He, Yabing
Furukawa, Hiroyasu
Wu, Chuande
O'Keeffe, Michael
Krishna, Rajamani
Chen, Banglin
TI Low-energy regeneration and high productivity in a
lanthanide-hexacarboxylate framework for high-pressure CO2-CH4-H-2
separation
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; CARBON-DIOXIDE CAPTURE; SMALL HYDROCARBONS;
NATURAL-GAS; CO2 UPTAKE; PURIFICATION; ADSORPTION; THERMODYNAMICS;
TRICARBOXYLATE; HYDROGEN
AB A porous lanthanide-organic framework UTSA-62a of a jjt-a topology has been synthesized from a hexacarboxylate and structurally characterized, exhibiting significant potential for use in CO2-CH4-H-2 separation (H-2 purification) processes with high productivities and low regeneration costs when operating at high pressure and room temperature.
C1 [He, Yabing] Zhejiang Normal Univ, Coll Chem & Life Sci, Jinhua 321004, Peoples R China.
[Furukawa, Hiroyasu] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Chem, Div Mat Sci, Berkeley, CA 94720 USA.
[Wu, Chuande] Zhejiang Univ, Dept Chem, Hangzhou 310027, Zhejiang, Peoples R China.
[O'Keeffe, Michael] Arizona State Univ, Dept Chem & Biochem, Tempe, AZ 85287 USA.
[Krishna, Rajamani] Univ Amsterdam, Vant Hoff Inst Mol Sci, NL-1098 XH Amsterdam, Netherlands.
[Chen, Banglin] Univ Texas San Antonio, Dept Chem, San Antonio, TX 78249 USA.
RP He, YB (reprint author), Zhejiang Normal Univ, Coll Chem & Life Sci, Jinhua 321004, Peoples R China.
EM heyabing@gmail.com; r.krishna@nva.nl; banglin.chen@utsa.edu
RI Chen, Banglin/F-5461-2010; Krishna, Rajamani/A-1098-2012; Wu,
Chuan-De/B-7546-2013; He, Yabing/H-3314-2012; Furukawa,
Hiroyasu/C-5910-2008
OI Chen, Banglin/0000-0001-8707-8115; Krishna,
Rajamani/0000-0002-4784-8530; Furukawa, Hiroyasu/0000-0002-6082-1738
NR 34
TC 31
Z9 31
U1 4
U2 70
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2013
VL 49
IS 60
BP 6773
EP 6775
DI 10.1039/c3cc43196g
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 175DJ
UT WOS:000321209800022
PM 23783245
ER
PT J
AU Butcher, DR
Zhu, ZW
Mao, BH
Wang, HL
Liu, Z
Salmeron, M
Somorjai, GA
AF Butcher, Derek R.
Zhu, Zhongwei
Mao, Baohua
Wang, Hailiang
Liu, Zhi
Salmeron, Miquel
Somorjai, Gabor A.
TI Mobility on the reconstructed Pt(100)-hex surface in ethylene and in its
mixture with hydrogen and carbon monoxide
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID SCANNING-TUNNELING-MICROSCOPY; PT(111); CO; PLATINUM; COADSORPTION;
ADSORPTION; SPECTROSCOPY; CATALYST; COVERAGE; STM
AB By using high-pressure scanning tunneling microscopy and ambient-pressure X-ray photoelectron spectroscopy, we studied the mobility along with composition, structure and reactivity on the Pt(100)-hex surface. Adsorbates are mobile under 1 Torr of C2H4 and C2H4-H-2 mixtures, but adding 3 mTorr of CO quenches the mobility. Ethylene-related adsorbates can also weaken Pt-Pt bonds and thus facilitate displacements in the hexagonal layer.
C1 [Butcher, Derek R.; Zhu, Zhongwei; Wang, Hailiang; Somorjai, Gabor A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Butcher, Derek R.; Zhu, Zhongwei; Wang, Hailiang; Salmeron, Miquel; Somorjai, Gabor A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Mao, Baohua; Liu, Zhi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Salmeron, Miquel] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
RP Salmeron, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
EM mbsamelron@lbl.gov; somorjai@berkeley.edu
RI Liu, Zhi/B-3642-2009
OI Liu, Zhi/0000-0002-8973-6561
FU Office of Science, Office of Basic Energy Sciences, Materials Sciences
and Engineering Division, of the U.S. Department of Energy
[DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences,
of the U.S. Department of Energy [DE-AC02-05CH11231]; Philomathia
Postdoctoral Fellowship
FX This work was supported by the Director, Office of Science, Office of
Basic Energy Sciences, Materials Sciences and Engineering Division, of
the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. 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. H.W. acknowledges support from the
Philomathia Postdoctoral Fellowship.
NR 22
TC 4
Z9 4
U1 0
U2 31
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2013
VL 49
IS 61
BP 6903
EP 6905
DI 10.1039/c3cc42312c
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 177OH
UT WOS:000321384200026
PM 23800761
ER
PT J
AU Summerscales, OT
Gordon, JC
AF Summerscales, Owen T.
Gordon, John C.
TI Regeneration of ammonia borane from spent fuel materials
SO DALTON TRANSACTIONS
LA English
DT Article
ID CHEMICAL HYDROGEN STORAGE; THERMODYNAMIC PROPERTIES;
THERMAL-DECOMPOSITION; COMPLEXES M; LARGE-SCALE; HIGH-YIELD;
THERMOCHEMISTRY; HYDRIDE; ROUTE; DEHYDROGENATION
AB A shift to the hydrogen economy requires the development of an effective hydrogen fuel carrier with high volumetric and gravimetric storage capacity. Ammonia borane (AB) has emerged as a leading candidate due to its light weight and multiple protic (N-H) and hydridic (B-H) hydrogens. As a consequence, much work has been directed towards fine tuning the release of H-2 from AB, in addition to its regeneration from the dehydrogenated "spent fuel" materials. This review summarizes the development of these regeneration methodologies.
C1 [Summerscales, Owen T.; Gordon, John C.] Los Alamos Natl Lab, Div Chem, MS J582, Los Alamos, NM 87545 USA.
RP Gordon, JC (reprint author), Los Alamos Natl Lab, Div Chem, MS J582, POB 1663, Los Alamos, NM 87545 USA.
EM jgordon@lanl.gov
NR 65
TC 24
Z9 25
U1 2
U2 58
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2013
VL 42
IS 28
BP 10075
EP 10084
DI 10.1039/c3dt50475a
PG 10
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 170ST
UT WOS:000320874600001
PM 23571860
ER
PT J
AU Kreller, CR
Wilson, MS
Mukundan, R
Brosha, EL
Garzon, FH
AF Kreller, Cortney R.
Wilson, Mahlon S.
Mukundan, Rangachary
Brosha, Eric L.
Garzon, Fernando H.
TI Stability and Conductivity of In3+-Doped SnP2O7 with Varying Phosphorous
to Metal Ratios
SO ECS ELECTROCHEMISTRY LETTERS
LA English
DT Article
ID PROTONIC CONDUCTORS
AB In-doped tin pyrophosphate materials were synthesized with varying metal to phosphate ratios to assess the influence of an excess amorphous polyphosphate phase on conductivity. Total conductivity at 250 degrees C increased with phosphorus to metal (P:M) ratio, with the 2.81 P:M ratio material exhibiting maximum conductivity of 10(-2) and 10(-1) Scm(-1) in dry and humidified N-2. XRD measurements revealed no systematic change in lattice parameter with increasing P:M. These results combined with supporting spectroscopy, suggest that a grain-boundary polyphosphate phase is required to achieve high conductivity in the low-intermediate temperature range. The materials were relatively stable and provided steady conductivities at 250 degrees C. (c) 2013 The Electrochemical Society.
C1 [Kreller, Cortney R.; Wilson, Mahlon S.; Mukundan, Rangachary; Brosha, Eric L.; Garzon, Fernando H.] Los Alamos Natl Lab, Sensors & Electrochem Devices Grp, Los Alamos, NM 87545 USA.
RP Kreller, CR (reprint author), Los Alamos Natl Lab, Sensors & Electrochem Devices Grp, POB 1663, Los Alamos, NM 87545 USA.
EM ckreller@lanl.gov
OI Kreller, Cortney/0000-0003-2180-2494; Wilson,
Mahlon/0000-0002-5944-2650; Mukundan, Rangachary/0000-0002-5679-3930
NR 18
TC 4
Z9 4
U1 1
U2 16
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 2162-8726
J9 ECS ELECTROCHEM LETT
JI ECS Electrochem. Lett.
PY 2013
VL 2
IS 9
BP F61
EP F63
DI 10.1149/2.002309eel
PG 3
WC Electrochemistry; Materials Science, Multidisciplinary
SC Electrochemistry; Materials Science
GA 182PE
UT WOS:000321755400004
ER
PT J
AU Shenai, K
Dudley, M
Davis, RF
AF Shenai, Krishna
Dudley, Michael
Davis, Robert F.
TI Current Status and Emerging Trends in Wide Bandgap (WBG) Semiconductor
Power Switching Devices
SO ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY
LA English
DT Article
ID CARBIDE SINGLE-CRYSTALS; P-N-JUNCTION; SILICON-CARBIDE; MATERIAL
DEFECTS; BIPOLAR-DEVICES; LARGE-AREA; GROWTH; DIODES; BULK; GAN
AB The current state-of-the-art of wide bandgap (WBG) semiconductor material technology is reviewed for the manufacturing of high-performance and reliable power electronics switching devices. In particular, silicon carbide (SiC) and gallium nitride (GaN) material and device technologies are evaluated when compared to conventional silicon power switching devices. For commercial applications above 400 volts, SiC stands out as a viable near-term commercial opportunity especially for single-chip current ratings in excess of 20 amps. For voltage ratings below 900 volts and smaller currents (below 20 amps), lateral GaN power transistors that utilize two-dimensional electron gas (2DEG) are promising candidates. At the time of this writing, field-reliability of WBG power devices is yet to be demonstrated in power converter applications. The exact role of high-density of material defects in both SiC and GaN semiconductors, primarily in the drift-region of the device, is not known from manufacturing and reliability considerations. This fundamental understanding is critical in order for WBG power devices to rapidly penetrate the vast commercial and strategic markets. (C) 2013 The Electrochemical Society. All rights reserved.
C1 [Shenai, Krishna] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA.
[Dudley, Michael] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA.
[Davis, Robert F.] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA.
RP Shenai, K (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM kshenai@anl.gov
RI Davis, Robert/A-9376-2011
OI Davis, Robert/0000-0002-4437-0885
FU U.S. Department of Energy Office of Science laboratory
[DE-AC02-06CH11357]
FX The submitted manuscript has been created by UChicago Argonne, LLC,
Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S.
Department of Energy Office of Science laboratory, is operated under
Contract No. DE-AC02-06CH11357. The U.S. Government retains for itself,
and others acting on its behalf, a paid-up nonexclusive, irrevocable
worldwide license in said article to reproduce, prepare derivative
works, distribute copies to the public, and perform publicly and display
publicly, by or on behalf of the Government.
NR 69
TC 13
Z9 13
U1 2
U2 27
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 2162-8769
J9 ECS J SOLID STATE SC
JI ECS J. Solid State Sci. Technol.
PY 2013
VL 2
IS 8
BP N3055
EP N3063
DI 10.1149/2.012308jss
PG 9
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA 180TJ
UT WOS:000321619700008
ER
PT J
AU Lieten, RR
Douhard, B
Stesmans, A
Jivanescu, M
Beeman, JW
Simoen, E
Vandervorst, W
Haller, EE
Locquet, JP
AF Lieten, R. R.
Douhard, B.
Stesmans, A.
Jivanescu, M.
Beeman, J. W.
Simoen, E.
Vandervorst, W.
Haller, E. E.
Locquet, J. -P.
TI Implantation and Activation of Phosphorus in Amorphous and Crystalline
Germanium Layers
SO ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY
LA English
DT Article
ID ION-IMPLANTATION; DIFFUSION; JUNCTIONS; REGROWTH; GE
AB We have investigated phosphorus implantation and activation in amorphous and crystalline Ge layers, deposited on Si substrates. The structure of the Ge layer has only limited influence on the dopant profile and diffusion after annealing. Surprisingly, crystalline Ge layers show better electrical results after implantation and dopant activation. For the amorphous layer, the solid phase epitaxy process is influenced in the neighborhood of P, leading to point defects, which inhibit electrical activation. This result implies that when a crystalline Ge layer is amorphized during implantation of high doses, the dopant activation can be significantly reduced. Reduced temperature ramping improves activation of P in amorphous Ge layers. (C) 2013 The Electrochemical Society. All rights reserved.
C1 [Lieten, R. R.; Stesmans, A.; Jivanescu, M.; Vandervorst, W.; Locquet, J. -P.] Katholieke Univ Leuven, Dept Phys & Astron, Louvain, Belgium.
[Lieten, R. R.; Beeman, J. W.; Haller, E. E.] Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94704 USA.
[Lieten, R. R.; Douhard, B.; Simoen, E.; Vandervorst, W.] IMEC, B-3001 Louvain, Belgium.
[Haller, E. E.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94704 USA.
RP Lieten, RR (reprint author), Katholieke Univ Leuven, Dept Phys & Astron, Louvain, Belgium.
EM ruben.lieten@gmail.com
FU Belgian American Educational Foundation (BAEF); Office of Science,
Office of Basic Energy Sciences, Materials Sciences and Engineering
Division, of the U.S. DOE [DE-AC02-05CH11231]
FX R.R.L acknowledges support as Research Fellow of the Research Foundation
- Flanders (FWO) and support of the Belgian American Educational
Foundation (BAEF). Some of the authors (R. R. Lieten, J.W Beeman, and E.
E. Haller) acknowledge support by the Director, Office of Science,
Office of Basic Energy Sciences, Materials Sciences and Engineering
Division, of the U.S. DOE under Contract No. DE-AC02-05CH11231.
NR 22
TC 0
Z9 0
U1 2
U2 11
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 2162-8769
J9 ECS J SOLID STATE SC
JI ECS J. Solid State Sci. Technol.
PY 2013
VL 2
IS 9
BP P346
EP P350
DI 10.1149/2.011309jss
PG 5
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA 180TQ
UT WOS:000321620800009
ER
PT J
AU Ramprasad, S
Su, YW
Chang, CH
Paul, BK
Palo, DR
AF Ramprasad, Sudhir
Su, Yu-Wei
Chang, Chih-Hung
Paul, Brian K.
Palo, Daniel R.
TI Continuous Microreactor-Assisted Solution Deposition for Scalable
Production of CdS Films
SO ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY
LA English
DT Article
ID CHEMICAL BATH DEPOSITION; CONTINUOUS-FLOW MICROREACTOR;
CUIN1-XGA(X)SE-2-BASED PHOTOVOLTAIC CELLS; CADMIUM-SULFIDE FILMS;
SOLAR-CELLS; THIN-FILMS; PRECURSOR FILMS; TELLURIDE; KINETICS; GROWTH
AB Solution deposition offers an attractive, low temperature option in the cost effective production of thin film solar cells. Continuous microreactor-assisted solution deposition (MASD) was used to produce nanocrystalline cadmium sulfide (CdS) films on fluorine doped tin oxide (FTO) coated glass substrates with excellent uniformity. We report a novel liquid coating technique using a ceramic rod to efficiently and uniformly apply reactive solution to large substrates (152 mm x 152 mm). This technique represents an inexpensive approach to utilize the MASD on the substrate for uniform growth of CdS films. Nano-crystalline CdS films have been produced from liquid phase at similar to 90 degrees C, with average thicknesses of 70 nm to 230 nm and with a 5 to 12% thickness variation. The CdS films produced were characterized by UV-Vis spectroscopy, transmission electron microscopy, and X-Ray diffraction to demonstrate their suitability to thin-film solar technology. (C) 2013 The Electrochemical Society. All rights reserved.
C1 [Ramprasad, Sudhir; Palo, Daniel R.] Pacific NW Natl Lab, Energy Proc & Mat Div, Corvallis, OR 97330 USA.
[Ramprasad, Sudhir; Su, Yu-Wei; Chang, Chih-Hung; Paul, Brian K.; Palo, Daniel R.] Microprod Breakthrough Inst, Corvallis, OR 97330 USA.
[Ramprasad, Sudhir; Su, Yu-Wei; Chang, Chih-Hung; Paul, Brian K.; Palo, Daniel R.] Oregon Proc Innovat Ctr, Corvallis, OR 97330 USA.
[Su, Yu-Wei; Chang, Chih-Hung] Oregon State Univ, Sch Chem Biol & Environm Engn, Corvallis, OR 97331 USA.
[Paul, Brian K.] Oregon State Univ, Sch Mech Ind & Mfg Engn, Corvallis, OR 97331 USA.
RP Ramprasad, S (reprint author), Pacific NW Natl Lab, Energy Proc & Mat Div, Corvallis, OR 97330 USA.
EM sudhir.ramprasad@pnnl.gov
FU U.S. Department of Energy, Industrial Technologies Program [NT08847,
DE-AC-05-RL01830]; Oregon Nanoscience and Microtechnologies Institute
(ONAMI)
FX The work described herein was funded by the U.S. Department of Energy,
Industrial Technologies Program, through award #NT08847, under contract
DE-AC-05-RL01830 to PNNL. Additional funds were received from the Oregon
Nanoscience and Microtechnologies Institute (ONAMI) under a matching
grant to Oregon State University. The facilities and equipment resident
at the Microproducts Breakthrough Institute and the Oregon Process
Innovation Center were crucial in conducting this study. Furthermore, we
extend our thanks to Don Higgins and to Dr. Jair Lizarazo-Adarme for
their assistance with set up of data acquisition and control. We are
thankful to the staff at Oregon State University Microscope Facility for
their assistance with TEM imaging.
NR 32
TC 1
Z9 1
U1 0
U2 12
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 2162-8769
J9 ECS J SOLID STATE SC
JI ECS J. Solid State Sci. Technol.
PY 2013
VL 2
IS 9
BP P333
EP P337
DI 10.1149/2.003309jss
PG 5
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA 180TQ
UT WOS:000321620800007
ER
PT J
AU Moreira, AS
Horgan, FG
Murray, TE
Kakouli-Duarte, T
AF Moreira, Antonio S.
Horgan, Finbarr G.
Murray, Tomas E.
Kakouli-Duarte, Thomais
TI Bumblebee (Hymenoptera: Apidae) sample storage for a posteriori
molecular studies: Interactions between sample storage and
DNA-extraction techniques
SO EUROPEAN JOURNAL OF ENTOMOLOGY
LA English
DT Article
DE Hymenoptera; Apidae; Bombus terrestris; acetone; commercial kit; DNA
quality; entomological pins; freezing; phenol-extraction
ID BOMBUS-TERRESTRIS; BEES BOMBUS; PRESERVATION; SPECIMENS; CONSERVATION;
COLLECTION; DIVERSITY; TAXONOMY; FLIES; PCR
AB A global decline in pollinator abundance and diversity has demanded increased research attention to the ecology and genetics of bumblebees. However, as progressively more restrictions are placed on sampling for insects, researchers are increasingly obliged to use archival specimens collected for purposes other than genetic analyses. In this study we assessed the suitability, for population genetic studies, of popular, low-cost methods for preservation and storage of bumblebee specimens. Specimens of Bombus terrestris L. were held under six storage regimes for up to two years. DNA was extracted from the samples using three extraction protocols and the quality of the DNA was examined using PCR amplification of a mitochondrial and a nuclear gene. All extraction and storage methods provided sufficient DNA for successful PCR amplification. However, samples preserved in acetone or at freezing temperatures yielded the highest DNA concentrations. DNA yields from pinned specimens at room temperature declined over time, particularly when using standard extraction techniques. DNA concentrations were significantly lower from specimens preserved in 70% ethanol compared to all other extraction techniques and declined linearly over the two years of storage. These results indicate that two of the most popular insect storage methods (pinning and storage in ethanol) should be avoided for the long-term preservation of genetic material for future studies. We suggest that optimal insect preservation methods should be incorporated into research protocols in order to best capitalise on limited collection opportunities.
C1 [Moreira, Antonio S.; Kakouli-Duarte, Thomais] Inst Technol Carlow, Carlow, County Carlow, Ireland.
[Moreira, Antonio S.; Horgan, Finbarr G.; Murray, Tomas E.] TEAGASC, Agri Res & Advisory Author, Oak Pk Res Ctr, Carlow, County Carlow, Ireland.
RP Moreira, AS (reprint author), Inst Technol Carlow, Kilkenny Rd, Carlow, County Carlow, Ireland.
EM Antonio.Moreira@itcarlow.ie; f.horgan@irri.org;
tomas.murray@zoologie.uni-halle.de; thomae.kakouli@itcarlow.ie
RI Murray, Tomas/C-5540-2013
FU Irish Department of Agriculture, Food and the Marine [RSF 06 348]
FX Funding for this research was provided by the Irish Department of
Agriculture, Food and the Marine as part of a research stimulus grant
(RSF 06 348). We thank S. Boyle for his support during early stages of
this research and anonymous reviewers for several helpful comments that
improved the manuscript.
NR 38
TC 3
Z9 3
U1 2
U2 26
PU CZECH ACAD SCI, INST ENTOMOLOGY
PI CESKE BUDEJOVICE
PA BRANISOVSKA 31, CESKE BUDEJOVICE 370 05, CZECH REPUBLIC
SN 1210-5759
J9 EUR J ENTOMOL
JI Eur. J. Entomol.
PY 2013
VL 110
IS 3
BP 419
EP 425
PG 7
WC Entomology
SC Entomology
GA 173XW
UT WOS:000321117200004
ER
PT J
AU Beaumont, SK
Alayoglu, S
Pushkarev, VV
Liu, Z
Kruse, N
Somorjai, GA
AF Beaumont, Simon K.
Alayoglu, Selim
Pushkarev, Vladimir V.
Liu, Zhi
Kruse, Norbert
Somorjai, Gabor A.
TI Exploring surface science and restructuring in reactive atmospheres of
colloidally prepared bimetallic CuNi and CuCo nanoparticles on SiO2 in
situ using ambient pressure X-ray photoelectron spectroscopy
SO FARADAY DISCUSSIONS
LA English
DT Article
ID CORE-SHELL NANOPARTICLES; OXIDE FUEL-CELLS; SEGREGATION; OXIDATION;
CATALYSTS; ALLOYS; NANOCATALYSTS; CHEMISTRY; EVOLUTION; METHANE
AB Bimetallic nanoparticles (similar to 11 nm diameter) of CuNi and CuCo were prepared by a new synthetic route and the 1 : 1 atomic ratio of their constituent elements confirmed using STEM-EDS at a single particle level. These nanoparticles, supported on the native oxide layer of a silicon wafer, were studied in situ in a series of reactive gas atmospheres (H-2 -> CO or CO/H-2 -> O-2 -> H-2) using ambient pressure X-ray photoelectron spectroscopy (AP-XPS). Despite the deliberate similarity of nickel and cobalt with respect to copper, their restructuring behaviour is different. CuNi nanoparticles were found to surface segregate nickel in H-2, but copper in O-2 reversibly, while CuCo nanoparticles were found to surface segregate copper irreversibly when exposed to O-2, such that the surface remains copper rich when re-exposed to H-2. Both systems also restructure in opposition to the behaviour predicted by the surface free energies and enthalpies of oxide formation of the elements from which they are comprised - factors that are seen to control restructuring and surface segregation in many similar systems.
C1 [Beaumont, Simon K.; Alayoglu, Selim; Pushkarev, Vladimir V.; Somorjai, Gabor A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Somorjai, Gabor A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Liu, Zhi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Kruse, Norbert] Univ Libre Brussels, B-1050 Brussels, Belgium.
RP Somorjai, GA (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM somorjai@berkeley.edu
RI Liu, Zhi/B-3642-2009; Foundry, Molecular/G-9968-2014; Beaumont,
Simon/F-5272-2012
OI Liu, Zhi/0000-0002-8973-6561; Beaumont, Simon/0000-0002-1973-9783
FU Office of Sciences, Office of Basic Energy Sciences, Division of
Material Sciences of the US Department of Energy (DOE)
[DE-AC02-05CH11231]; Total, France; Office of Science, Office of Basic
Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231]
FX GAS acknowledges support from the Director, Office of Sciences, Office
of Basic Energy Sciences, Division of Material Sciences of the US
Department of Energy (DOE) under contract DE-AC02-05CH11231. NK
gratefully acknowledges funding from Total, France. The user work at the
Advanced Light Source and Molecular Foundry is supported by the
Director, Office of Science, Office of Basic Energy Sciences, of the US
Department of Energy under Contract No. DE-AC02-05CH11231. The authors
are also grateful to Rui Chang at Beamline 9.3.2 for his practical
assistance.
NR 40
TC 14
Z9 14
U1 5
U2 57
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-6640
J9 FARADAY DISCUSS
JI Faraday Discuss.
PY 2013
VL 162
BP 31
EP 44
DI 10.1039/c2fd20145c
PG 14
WC Chemistry, Physical
SC Chemistry
GA 180JW
UT WOS:000321591000002
PM 24015574
ER
PT J
AU Yim, CM
Pang, CL
Humphrey, DS
Muryn, CA
Schulte, K
Perez, R
Thornton, G
AF Yim, Chi Ming
Pang, Chi Lun
Humphrey, David S.
Muryn, Christopher A.
Schulte, Karina
Perez, Ruben
Thornton, Geoff
TI CO and O overlayers on Pd nanocrystals supported on TiO2(110)
SO FARADAY DISCUSSIONS
LA English
DT Article
ID DENSITY-FUNCTIONAL THEORY; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET;
SURFACE-STRUCTURES; MODEL CATALYST; PD(111); ADSORPTION; RESOLUTION;
STM; SPECTROSCOPY
AB We have prepared a model catalytic system by depositing Pd onto a TiO2(110) surface held at similar to 720 K. Scanning tunneling microscopy (STM) reveals well-defined Pd nanocrystals consisting of (111) top facets with {111} and {100} side facets. The Pd nanocrystals go down to about 10 nm in width and 1.3 nm in height. Top facets can be imaged with atomic resolution, indicating the absence of TiOx encapsulation. The model catalyst was probed by exposure to CO and O-2. By varying the CO exposure, different CO overlayers were formed on the (111) top facets, with coverages ranging from 0.33 to 0.75 of a monolayer. Near edge X-ray absorption fine structure (NEXAFS) measurements at 300 K reveal that at around 0.5 ML coverage, CO is oriented with the molecular axis more or less normal to TiO2(110). Dosing small amounts of O-2 separately on a Pd/TiO2(110) surface led to an overlayer of p(2 x 2)-O formed on the (111) top facet of the Pd nanocrystals at 190 K.
C1 [Yim, Chi Ming; Pang, Chi Lun; Humphrey, David S.; Thornton, Geoff] UCL, Dept Chem, London WC1H 0AH, England.
[Yim, Chi Ming; Pang, Chi Lun; Humphrey, David S.; Thornton, Geoff] UCL, London Ctr Nanotechnol, London WC1H 0AH, England.
[Muryn, Christopher A.] Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England.
[Muryn, Christopher A.] Univ Manchester, Photon Sci Inst, Manchester M13 9PL, Lancs, England.
[Schulte, Karina] Lund Univ, MAX Lab 4, S-22100 Lund, Sweden.
[Perez, Ruben] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Perez, Ruben] Univ Autonoma Madrid, Dept Fis Teor Mat Condensada, Fac Ciencias, E-28049 Madrid, Spain.
RP Thornton, G (reprint author), UCL, Dept Chem, 17-19 Gordon St, London WC1H 0AH, England.
EM g.thornton@ucl.ac.uk
RI Perez, Ruben/F-1849-2010; COST, CM1104/I-8057-2015; Pang, Chi
Lun/M-1105-2016;
OI Perez, Ruben/0000-0001-5896-541X; Pang, Chi Lun/0000-0002-5222-9734;
Yim, Chi Ming/0000-0003-3339-4571
FU EPSRC (UK) [COST1104]; European Research Council; Spanish Project MINECO
[MAT2011-023627]; Spanish Project MEC [PR2011-0402]; Fundacion
CajaMadrid
FX This work was supported by EPSRC (UK), COST1104 and European Research
Council Advanced Grant ENERGYSURF. RP acknowledges the support of the
Spanish Projects MAT2011-023627 (MINECO), PR2011-0402 (MEC) and
Fundacion CajaMadrid.
NR 30
TC 5
Z9 5
U1 1
U2 32
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-6640
J9 FARADAY DISCUSS
JI Faraday Discuss.
PY 2013
VL 162
BP 191
EP 200
DI 10.1039/c2fd20137b
PG 10
WC Chemistry, Physical
SC Chemistry
GA 180JW
UT WOS:000321591000011
PM 24015584
ER
PT J
AU Wania, R
Melton, JR
Hodson, EL
Poulter, B
Ringeval, B
Spahni, R
Bohn, T
Avis, CA
Chen, G
Eliseev, AV
Hopcroft, PO
Riley, WJ
Subin, ZM
Tian, H
van Bodegom, PM
Kleinen, T
Yu, ZC
Singarayer, JS
Zurcher, S
Lettenmaier, DP
Beerling, DJ
Denisov, SN
Prigent, C
Papa, F
Kaplan, JO
AF Wania, R.
Melton, J. R.
Hodson, E. L.
Poulter, B.
Ringeval, B.
Spahni, R.
Bohn, T.
Avis, C. A.
Chen, G.
Eliseev, A. V.
Hopcroft, P. O.
Riley, W. J.
Subin, Z. M.
Tian, H.
van Bodegom, P. M.
Kleinen, T.
Yu, Z. C.
Singarayer, J. S.
Zuercher, S.
Lettenmaier, D. P.
Beerling, D. J.
Denisov, S. N.
Prigent, C.
Papa, F.
Kaplan, J. O.
TI Present state of global wetland extent and wetland methane modelling:
methodology of a model inter-comparison project (WETCHIMP)
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID INCREASED N DEPOSITION; NATURAL WETLANDS; ATMOSPHERIC CO2; TERRESTRIAL
ECOSYSTEMS; BIOGEOCHEMISTRY MODEL; VEGETATION MODEL; PRIMARY
PRODUCTIVITY; CLIMATE FEEDBACKS; NORTH-AMERICA; RICE PADDIES
AB The Wetland and Wetland CH4 Intercomparison of Models Project (WETCHIMP) was created to evaluate our present ability to simulate large-scale wetland characteristics and corresponding methane (CH4) emissions. A multi-model comparison is essential to evaluate the key uncertainties in the mechanisms and parameters leading to methane emissions. Ten modelling groups joined WETCHIMP to run eight global and two regional models with a common experimental protocol using the same climate and atmospheric carbon dioxide (CO2) forcing datasets. We reported the main conclusions from the intercomparison effort in a companion paper (Melton et al., 2013). Here we provide technical details for the six experiments, which included an equilibrium, a transient, and an optimized run plus three sensitivity experiments (temperature, precipitation, and atmospheric CO2 concentration). The diversity of approaches used by the models is summarized through a series of conceptual figures, and is used to evaluate the wide range of wetland extent and CH4 fluxes predicted by the models in the equilibrium run. We discuss relationships among the various approaches and patterns in consistencies of these model predictions. Within this group of models, there are three broad classes of methods used to estimate wetland extent: prescribed based on wetland distribution maps, prognostic relationships between hydrological states based on satellite observations, and explicit hydrological mass balances. A larger variety of approaches was used to estimate the net CH4 fluxes from wetland systems. Even though modelling of wetland extent and CH4 emissions has progressed significantly over recent decades, large uncertainties still exist when estimating CH4 emissions: there is little consensus on model structure or complexity due to knowledge gaps, different aims of the models, and the range of temporal and spatial resolutions of the models.
C1 [Wania, R.] Univ Montpellier 2, CNRS, UMR5554, Inst Sci Evolut, F-34090 Montpellier, France.
[Melton, J. R.; Kaplan, J. O.] Ecole Polytech Fed Lausanne, ARVE Grp, CH-1015 Lausanne, Switzerland.
[Hodson, E. L.] Swiss Fed Res Inst WSL, Zurich, Switzerland.
[Poulter, B.; Ringeval, B.] UVSQ, CNRS CEA, Lab Sci Climat & Environm, Gif Sur Yvette, France.
[Ringeval, B.; Hopcroft, P. O.; Singarayer, J. S.] Univ Bristol, Sch Geog Sci, BRIDGE, Bristol BS8 1TH, Avon, England.
[Ringeval, B.] Vrije Univ Amsterdam, Dept Earth Sci, Amsterdam, Netherlands.
[Spahni, R.; Zuercher, S.] Univ Bern, Inst Phys, CH-3012 Bern, Switzerland.
[Spahni, R.; Zuercher, S.] Univ Bern, Oeschger Ctr Climate Change Res, CH-3012 Bern, Switzerland.
[Bohn, T.; Lettenmaier, D. P.] Univ Washington, Dept Civil & Environm Engn, Seattle, WA 98195 USA.
[Avis, C. A.] Univ Victoria, Sch Earth & Ocean Sci, Victoria, BC V8W 2Y2, Canada.
[Chen, G.; Tian, H.] Auburn Univ, Int Ctr Climate & Global Change Res, Auburn, AL 36849 USA.
[Chen, G.; Tian, H.] Auburn Univ, Sch Forestry & Wildlife Sci, Auburn, AL 36849 USA.
[Eliseev, A. V.; Denisov, S. N.] Russian Acad Sci, AM Obukhov Inst Atmospher Phys, Moscow 117901, Russia.
[Eliseev, A. V.] Kazan Volga Reg Fed Univ, Kazan, Russia.
[Riley, W. J.; Subin, Z. M.] Lawrence Berkeley Natl Lab, ESD, Berkeley, CA USA.
[Kleinen, T.] Max Planck Inst Meteorol, D-20146 Hamburg, Germany.
[van Bodegom, P. M.] Vrije Univ Amsterdam, Dept Ecol Sci, Amsterdam, Netherlands.
[Yu, Z. C.] Lehigh Univ, Dept Earth & Environm Sci, Bethlehem, PA USA.
[Beerling, D. J.] Univ Sheffield, Dept Anim & Plant Sci, Sheffield S10 2TN, S Yorkshire, England.
[Prigent, C.] Observ Paris, CNRS LERMA, F-75014 Paris, France.
[Papa, F.] IRD, LEGOS, F-31400 Toulouse, France.
RP Melton, JR (reprint author), Environm Canada, Canadian Ctr Climate Modelling & Anal, Victoria, BC V8W 2Y2, Canada.
EM joe.melton.sci@gmail.com
RI Eliseev, Alexey V./L-8707-2013; Tian, Hanqin/A-6484-2012; lettenmaier,
dennis/F-8780-2011; Denisov, Sergey/N-2700-2013; Papa,
Fabrice/D-3695-2009; Yu, Zicheng/D-4108-2012; Subin,
Zachary/K-5168-2012; Bohn, Theodore/K-4494-2012; van Bodegom,
Peter/N-8150-2015; Riley, William/D-3345-2015; Kaplan, Jed/P-1796-2015;
Hopcroft, Peter/H-4957-2016
OI Ringeval, Bruno/0000-0001-8405-1304; Eliseev, Alexey
V./0000-0001-7288-7649; Tian, Hanqin/0000-0002-1806-4091; lettenmaier,
dennis/0000-0003-3317-1327; Papa, Fabrice/0000-0001-6305-6253; Subin,
Zachary/0000-0002-9257-9288; Bohn, Theodore/0000-0002-1880-9129; van
Bodegom, Peter/0000-0003-0771-4500; Riley, William/0000-0002-4615-2304;
Kaplan, Jed/0000-0001-9919-7613; Hopcroft, Peter/0000-0003-3694-9181
FU COST Action [ES0805 TERRABITES]; Swiss Ministry for Research and
Education [C09.0054]; Swiss National Science Foundation [PP0022_119049,
PP00P2_139193]; Office of Science, Office of Biological and
Environmental Research, Climate and Environmental Science Division, of
the US Department of Energy [DE-AC02-05CH11231]; NASA's ROSES program
[NNX08AH97G]; US NSF [ARC-1107981]; The Max Planck Society (Germany);
Russian Foundation for Basic Research; Russian Academy of Sciences;
Swiss National Science Foundation; European Research Council under
European Community [226172]; NERC UK [NE/I010912/1]; NERC UK/INSU France
QUEST-DESIRE project; ETH Competence Center Environment and
Sustainability's grant MAIOLICA; [5467.2012.5]
FX The authors are grateful to the COST Action ES0805 TERRABITES for
providing support for the WETCHIMP workshop. We thank Sylvia Houston and
Olga Petrikova for assistance with organizing the project meeting and
Kristen Krumhardt for assistance producing the figures. J. R. M. was
supported by the Swiss Ministry for Research and Education (grant
C09.0054). J. O. K. acknowledges support from the Swiss National Science
Foundation (grants PP0022_119049 and PP00P2_139193). The contributions
of W. J. R. and Z. M. S. were supported by the Director, Office of
Science, Office of Biological and Environmental Research, Climate and
Environmental Science Division, of the US Department of Energy under
Contract No. DE-AC02-05CH11231 to Berkeley Lab (IMPACTS and C-Climate
Uncertainties projects). The contributions of T. J. B. and D. P. L. were
supported by NASA's ROSES program, grant NNX08AH97G. The contribution of
Z. C. Y. was supported by a US NSF grant (ARC-1107981) and a grant from
The Max Planck Society (Germany). A. V. E. and S. N. D. were supported
by the the President of Russia grant 5467.2012.5, by the Russian
Foundation for Basic Research, and by the programs of the Russian
Academy of Sciences. The contributions of R. S. and S. Z. were supported
by the Swiss National Science Foundation and by the European Research
Council advanced grant MATRICs (ERC grant agreement no. 226172) under
the European Community's Seventh Framework Programme. P. O. H. is
supported by a NERC UK grant NE/I010912/1 and previously through NERC
UK/INSU France QUEST-DESIRE project. E. L. H. was supported by ETH
Competence Center Environment and Sustainability's grant MAIOLICA. We
also thank Steve Frolking and one anonymous reviewer for their comments
which have improved our manuscript.
NR 123
TC 42
Z9 43
U1 8
U2 74
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1991-959X
EI 1991-9603
J9 GEOSCI MODEL DEV
JI Geosci. Model Dev.
PY 2013
VL 6
IS 3
BP 617
EP 641
DI 10.5194/gmd-6-617-2013
PG 25
WC Geosciences, Multidisciplinary
SC Geology
GA 174EU
UT WOS:000321137700003
ER
PT J
AU Wan, H
Giorgetta, MA
Zangl, G
Restelli, M
Majewski, D
Bonaventura, L
Frohlich, K
Reinert, D
Ripodas, P
Kornblueh, L
Forstner, J
AF Wan, H.
Giorgetta, M. A.
Zaengl, G.
Restelli, M.
Majewski, D.
Bonaventura, L.
Froehlich, K.
Reinert, D.
Ripodas, P.
Kornblueh, L.
Foerstner, J.
TI The ICON-1.2 hydrostatic atmospheric dynamical core on triangular grids
- Part 1: Formulation and performance of the baseline version
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID SHALLOW-WATER EQUATIONS; BAROTROPIC VORTICITY EQUATION; SEMI-LAGRANGIAN
ADVECTION; AQUA-PLANET SIMULATIONS; FINITE-VOLUME;
NUMERICAL-INTEGRATION; GENERAL-CIRCULATION; TRANSPORT SCHEMES; STANDARD
TEST; MODEL
AB As part of a broader effort to develop next-generation models for numerical weather prediction and climate applications, a hydrostatic atmospheric dynamical core is developed as an intermediate step to evaluate a finite-difference discretization of the primitive equations on spherical icosahedral grids. Based on the need for mass-conserving discretizations for multi-resolution modelling as well as scalability and efficiency on massively parallel computing architectures, the dynamical core is built on triangular C-grids using relatively small discretization stencils.
This paper presents the formulation and performance of the baseline version of the new dynamical core, focusing on properties of the numerical solutions in the setting of globally uniform resolution. Theoretical analysis reveals that the discrete divergence operator defined on a single triangular cell using the Gauss theorem is only first-order accurate, and introduces grid-scale noise to the discrete model. The noise can be suppressed by fourth-order hyper-diffusion of the horizontal wind field using a time-step and grid-size-dependent diffusion coefficient, at the expense of stronger damping than in the reference spectral model.
A series of idealized tests of different complexity are performed. In the deterministic baroclinic wave test, solutions from the new dynamical core show the expected sensitivity to horizontal resolution, and converge to the reference solution at R2B6 (35 km grid spacing). In a dry climate test, the dynamical core correctly reproduces key features of the meridional heat and momentum transport by baroclinic eddies. In the aqua-planet simulations at 140 km resolution, the new model is able to reproduce the same equatorial wave propagation characteristics as in the reference spectral model, including the sensitivity of such characteristics to the meridional sea surface temperature profile.
These results suggest that the triangular-C discretization provides a reasonable basis for further development. The main issues that need to be addressed are the grid-scale noise from the divergence operator which requires strong damping, and a phase error of the baroclinic wave at medium and low resolutions.
C1 [Wan, H.; Giorgetta, M. A.; Froehlich, K.; Kornblueh, L.] Max Planck Inst Meteorol, D-20146 Hamburg, Germany.
[Zaengl, G.; Majewski, D.; Froehlich, K.; Reinert, D.; Ripodas, P.; Foerstner, J.] German Weather Serv, Offenbach, Germany.
[Restelli, M.; Bonaventura, L.] Politecn Milan, MOX Dept Math F Brioschi, I-20133 Milan, Italy.
[Wan, H.] Int Max Planck Res Sch Earth Syst Modelling, Hamburg, Germany.
RP Wan, H (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM hui.wan@zmaw.de
RI Wan, Hui/J-4701-2013; Bonaventura, Luca/A-8058-2010
OI Bonaventura, Luca/0000-0002-1994-0217
FU ZEIT Foundation "Ebelin and Gerd Bucerius"; Pacific Northwest National
Laboratory
FX The authors are indebted to Almut Gassmann (now at IAP-Kuhlungsborn),
Christiane Jablonowski (University of Michigan), David Williamson
(NCAR), Frank Giraldo (Naval Postgraduate School), Rupert Klein (Freie
Universitat Berlin), Hans-Joachim Herzog (German Weather Service),
Werner Bauer (MPI-M), and Leonidas Linardakis (MPI-M) for valuable and
inspiring discussions. We also thank Almut Gassmann, Hilary Weller and
the anonymous referees, whose comments and suggestions helped to improve
the paper. Hui Wan was recipient of a PhD fellowship from the ZEIT
Foundation "Ebelin and Gerd Bucerius" through their support to the
International Max Planck Research School on Earth System Modelling in
Hamburg, Germany. Preparation of this manuscript was partially supported
by the Linus Pauling Distinguished Postdoctoral Fellowship of the
Pacific Northwest National Laboratory, a multiprogram national
laboratory operated by Battelle Memorial Institute for the US Department
of Energy. The computing resources used in this work were provided by
the German Climate Computing Center (Deutsches Klimarechenzentrum,
DKRZ).
NR 83
TC 17
Z9 18
U1 0
U2 8
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1991-959X
J9 GEOSCI MODEL DEV
JI Geosci. Model Dev.
PY 2013
VL 6
IS 3
BP 735
EP 763
DI 10.5194/gmd-6-735-2013
PG 29
WC Geosciences, Multidisciplinary
SC Geology
GA 174EU
UT WOS:000321137700007
ER
PT J
AU Wang, H
Easter, RC
Rasch, PJ
Wang, M
Liu, X
Ghan, SJ
Qian, Y
Yoon, JH
Ma, PL
Vinoj, V
AF Wang, H.
Easter, R. C.
Rasch, P. J.
Wang, M.
Liu, X.
Ghan, S. J.
Qian, Y.
Yoon, J-H
Ma, P-L
Vinoj, V.
TI Sensitivity of remote aerosol distributions to representation of
cloud-aerosol interactions in a global climate model
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID COMMUNITY ATMOSPHERE MODEL; BLACK CARBON; SEASONAL CYCLE; AIR-POLLUTION;
PNNL-MMF; AEROCOM; EMISSIONS; IMPACTS; GASES; SNOW
AB Many global aerosol and climate models, including the widely used Community Atmosphere Model version 5 (CAM5), have large biases in predicting aerosols in remote regions such as the upper troposphere and high latitudes. In this study, we conduct CAM5 sensitivity simulations to understand the role of key processes associated with aerosol transformation and wet removal affecting the vertical and horizontal long-range transport of aerosols to the remote regions. Improvements are made to processes that are currently not well represented in CAM5, which are guided by surface and aircraft measurements together with results from a multi-scale aerosol-climate model that explicitly represents convection and aerosol-cloud interactions at cloud-resolving scales. We pay particular attention to black carbon (BC) due to its importance in the Earth system and the availability of measurements.
We introduce into CAM5 a new unified scheme for convective transport and aerosol wet removal with explicit aerosol activation above convective cloud base. This new implementation reduces the excessive BC aloft to better simulate observed BC profiles that show decreasing mixing ratios in the mid- to upper-troposphere. After implementing this new unified convective scheme, we examine wet removal of submicron aerosols that occurs primarily through cloud processes. The wet removal depends strongly on the subgrid-scale liquid cloud fraction and the rate of conversion of liquid water to precipitation. These processes lead to very strong wet removal of BC and other aerosols over mid- to high latitudes during winter months. With our improvements, the Arctic BC burden has a 10-fold (5-fold) increase in the winter (summer) months, resulting in a much-better simulation of the BC seasonal cycle as well. Arctic sulphate and other aerosol species also increase but to a lesser extent. An explicit treatment of BC aging with slower aging assumptions produces an additional 30-fold (5-fold) increase in the Arctic winter (summer) BC burden. This BC aging treatment, however, has minimal effect on other underpredicted species. Interestingly, our modifications to CAM5 that aim at improving prediction of high-latitude and upper-tropospheric aerosols also produce much-better aerosol optical depth (AOD) over various other regions globally when compared to multi-year AERONET retrievals. The improved aerosol distributions have impacts on other aspects of CAM5, improving the simulation of global mean liquid water path and cloud forcing.
C1 [Wang, H.; Easter, R. C.; Rasch, P. J.; Wang, M.; Liu, X.; Ghan, S. J.; Qian, Y.; Yoon, J-H; Ma, P-L; Vinoj, V.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
RP Wang, H (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
EM hailong.wang@pnnl.gov
RI qian, yun/E-1845-2011; Wang, Minghuai/E-5390-2011; Vinoj,
V./C-3241-2008; Wang, Hailong/B-8061-2010; YOON, JIN-HO/A-1672-2009;
Liu, Xiaohong/E-9304-2011; Ma, Po-Lun/G-7129-2015; Ghan,
Steven/H-4301-2011
OI Wang, Minghuai/0000-0002-9179-228X; Vinoj, V./0000-0001-8573-6073; Wang,
Hailong/0000-0002-1994-4402; YOON, JIN-HO/0000-0002-4939-8078; Liu,
Xiaohong/0000-0002-3994-5955; Ma, Po-Lun/0000-0003-3109-5316; Ghan,
Steven/0000-0001-8355-8699
FU Office of Science of the US Department of Energy (DOE) as part of the
Earth System Modeling Program; DOE [DE-AC05-76RLO1830]; National Science
Foundation; DOE Office of Science; NASA [NNX07AI56G]; DOE Office of
Science, Decadal and Regional Climate Prediction using Earth System
Models (EaSM) program
FX This research was supported by the Office of Science of the US
Department of Energy (DOE) as part of the Earth System Modeling Program.
The Pacific Northwest National Laboratory (PNNL) is operated for DOE by
Battelle Memorial Institute under contract DE-AC05-76RLO1830. The CESM
project is supported by the National Science Foundation and the DOE
Office of Science. The development of the PNNL-MMF was supported by the
NASA Interdisciplinary Science Program under grant NNX07AI56G and the
DOE Office of Science, Decadal and Regional Climate Prediction using
Earth System Models (EaSM) program. We thank D. Koch for providing BC
profiles and helpful discussion, J. P. Schwarz for providing the HIPPO
BC profiles, and many scientists, engineers and support staff for their
efforts in making all the datasets available for our model evaluation.
Computational resources were provided by the National Energy Research
Scientific Computing Center (NERSC), a national scientific user facility
located at Lawrence Berkeley National Laboratory in Berkeley,
California. NERSC is the flagship scientific computing facility for the
Office of Science in DOE.
NR 61
TC 44
Z9 44
U1 4
U2 35
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1991-959X
EI 1991-9603
J9 GEOSCI MODEL DEV
JI Geosci. Model Dev.
PY 2013
VL 6
IS 3
BP 765
EP 782
DI 10.5194/gmd-6-765-2013
PG 18
WC Geosciences, Multidisciplinary
SC Geology
GA 174EU
UT WOS:000321137700008
ER
PT J
AU Wan, H
Rasch, PJ
Zhang, K
Kazil, J
Leung, LR
AF Wan, H.
Rasch, P. J.
Zhang, K.
Kazil, J.
Leung, L. R.
TI Numerical issues associated with compensating and competing processes in
climate models: an example from ECHAM-HAM
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID COMMUNITY ATMOSPHERE MODEL; NONLINEAR VERTICAL DIFFUSION; CLOUD
MICROPHYSICS SCHEME; SIZE DISTRIBUTIONS; SULFURIC-ACID; SINGLE-COLUMN;
AEROSOL; SENSITIVITY; IMPLEMENTATION; REPRESENTATION
AB The purpose of this paper is to draw attention to the need for appropriate numerical techniques to represent process interactions in climate models. In two versions of the ECHAM-HAM model, different time integration methods are used to solve the sulfuric acid (H2SO4) gas evolution equation, which lead to substantially different results in the H2SO4 gas concentration and the aerosol nucleation rate. Using convergence tests and sensitivity simulations performed with various time stepping schemes, it is confirmed that numerical errors in the second model version are significantly smaller than those in version one. The use of sequential operator splitting in combination with a long time step is identified as the main reason for the large systematic biases in the old model. The remaining errors of nucleation rate in version two, related to the competition between condensation and nucleation, have a clear impact on the simulated concentration of cloud condensation nuclei (CCN) in the lower troposphere. These errors can be significantly reduced by employing solvers that handle production, condensation and nucleation at the same time. Lessons learned in this work underline the need for more caution when treating multi-timescale problems involving compensating and competing processes, a common occurrence in current climate models.
C1 [Wan, H.; Rasch, P. J.; Zhang, K.; Leung, L. R.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Kazil, J.] Univ Colorado, CIRES, Boulder, CO 80309 USA.
[Kazil, J.] NOAA, ESRL, Boulder, CO USA.
RP Wan, H (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM hui.wan@pnnl.gov
RI Kazil, Jan/B-7652-2013; Wan, Hui/J-4701-2013; Zhang, Kai/F-8415-2010;
Manager, CSD Publications/B-2789-2015
OI Kazil, Jan/0000-0003-3271-2451; Zhang, Kai/0000-0003-0457-6368;
FU Pacific Northwest National Laboratory (PNNL); US Department of Energy
(DOE) [DE-AC05-76RL01830]; DOE Office of Science as part of the Earth
System Modeling Program (Aerosol Clouds and Precipitation Science Focus
Area); Scientific Discovery Through Advanced Computing (SciDAC) project
on Multiscale Methods for Accurate, Efficient, and Scale-Aware Models of
the Earth System
FX The authors thank Harri Kokkola (FMI), Xiaohong Liu (PNNL), Dick Easter
(PNNL), Peter Caldwell (LLNL), Declan O'Donnell (FMI), Philip Stier
(Oxford University) and Stefan Kinne (MPI-M) for valuable discussions.
We also thank Luca Bonaventura and an anonymous reviewer, whose comments
helped to improve the paper. H. Wan is grateful for the support of the
Linus Pauling Distinguished Postdoctoral Fellowship of the Pacific
Northwest National Laboratory (PNNL), a multiprogram laboratory operated
for the US Department of Energy (DOE) by Battelle Memorial Institute
under contract DE-AC05-76RL01830. The study described in this paper was
conducted under the PNNL Laboratory Directed Research and Development
Program. P. J. Rasch was supported by the DOE Office of Science as part
of the Earth System Modeling Program (the Aerosol Clouds and
Precipitation Science Focus Area), and the Scientific Discovery Through
Advanced Computing (SciDAC) project on Multiscale Methods for Accurate,
Efficient, and Scale-Aware Models of the Earth System. The ECHAM-HAM
simulations presented in this paper were performed at the German Climate
Computing Center (Deutsches Klimarechenzentrum, DKRZ).
NR 54
TC 4
Z9 4
U1 0
U2 7
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1991-959X
EI 1991-9603
J9 GEOSCI MODEL DEV
JI Geosci. Model Dev.
PY 2013
VL 6
IS 3
BP 861
EP 874
DI 10.5194/gmd-6-861-2013
PG 14
WC Geosciences, Multidisciplinary
SC Geology
GA 174EU
UT WOS:000321137700014
ER
PT J
AU Zhao, C
Bruck, T
Lercher, JA
AF Zhao, Chen
Brueck, Thomas
Lercher, Johannes A.
TI Catalytic deoxygenation of microalgae oil to green hydrocarbons
SO GREEN CHEMISTRY
LA English
DT Review
ID WASTE COOKING OIL; SOLID ACID CATALYSTS; FREE FATTY-ACIDS; BIODIESEL
PRODUCTION; VEGETABLE-OILS; STEARIC-ACID; CANOLA OIL; PALM OIL;
MESOPOROUS CARBON; DIESEL FUEL
AB Microalgae are high potential raw biomass material for triglyceride feedstock, due to their high oil content and rapid growth rate, and because algae cultivation does not compete with edible food on arable land. This review addresses first the microalgae cultivation with an overview of the productivity and growth of microalgae, the recovery of lipids from the microalgae, and chemical compositions of microalgae biomass and microalgal oil. Second, three basic approaches are discussed to downstream processing for the production of green gasoline and diesel hydrocarbons from microalgae oil, including cracking with zeolite, hydrotreating with supported sulfided catalysts and hydrodeoxygenation with non-sulfide metal catalysts. For the triglyceride derived bio-fuels, only "drop-in" gasoline and diesel range components are discussed in this review.
C1 [Zhao, Chen; Brueck, Thomas; Lercher, Johannes A.] Tech Univ Munich, Dept Chem, D-85747 Garching, Germany.
[Zhao, Chen; Lercher, Johannes A.] Tech Univ Munich, Catalysis Res Ctr, D-85747 Garching, Germany.
[Lercher, Johannes A.] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA.
RP Zhao, C (reprint author), Tech Univ Munich, Dept Chem, D-85747 Garching, Germany.
EM chenzhao@mytum.de; johannes.lercher@ch.tum.de
RI Bruck, Prof.Dr. Thomas/B-6018-2016
OI Bruck, Prof.Dr. Thomas/0000-0002-2113-6957
NR 174
TC 71
Z9 73
U1 19
U2 200
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9262
J9 GREEN CHEM
JI Green Chem.
PY 2013
VL 15
IS 7
BP 1720
EP 1739
DI 10.1039/c3gc40558c
PG 20
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA 169LH
UT WOS:000320781200002
ER
PT J
AU Wall, AJ
Capo, RC
Stewart, BW
Phan, TT
Jain, JC
Hakala, JA
Guthrie, GD
AF Wall, Andrew J.
Capo, Rosemary C.
Stewart, Brian W.
Phan, Thai T.
Jain, Jinesh C.
Hakala, J. Alexandra
Guthrie, George D.
TI High throughput method for Sr extraction from variable matrix waters and
Sr-87/Sr-86 isotope analysis by MC-ICP-MS
SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY
LA English
DT Article
ID UTILIZATION BY-PRODUCTS; ACID-MINE DRAINAGE; STRONTIUM-ISOTOPE;
CHROMATOGRAPHIC RESIN; PRECISE DETERMINATION; MASS-SPECTROMETRY;
COAL-MINE; SEPARATION; RATIOS; USA
AB Natural isotope tracers, such as strontium (Sr), can facilitate the tracking of brine migration caused by CO2 injection in carbon storage sites and assist in identifying the origin of formation waters associated with oil and gas exploration. However, it might be necessary to analyze tens of samples with complex chemical compositions over a short period to identify subsurface reactions and respond to unexpected fluid movement in the host formation. These conditions require streamlined Sr separation chemistry for samples ranging from pristine groundwaters to those containing high total dissolved solids, followed by rapid measurement of isotope ratios with high analytical precision. Here we describe a method useful for the separation of Sr from energy related geofluids and the rapid measurements of Sr isotopic ratios by MC-ICP-MS. Existing vacuum-assisted Sr separation procedures were modified by using inexpensive disposable parts that also eliminate cross contamination. These improvements will allow an operator to independently prepare samples for Sr isotope analysis using fast, low cost separation procedures and commercially available components. We optimized the elution chemistry by adjusting acid normality and elution rates to provide better separation of Sr from problematic matrices (e. g. Rb, Ca, Ba, K) associated with oilfield brines and formation waters. The separation procedure is designed for high sample throughputs that are ready for immediate Sr isotope measurements by MC-ICP-MS. Precise Sr isotope results can be achieved by MC-ICP-MS with a throughput of 4 to 5 samples per hour. Fluids from a range of geologic environments analyzed by this method yielded results within the analytical uncertainty of Sr-87/Sr-86 ratios previously determined by standard column separation and TIMS. This method provides a fast and effective way to use isolate Sr in a variety of geologic fluids for isotopic analysis by MC-ICP-MS.
C1 [Wall, Andrew J.; Hakala, J. Alexandra; Guthrie, George D.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[Capo, Rosemary C.; Stewart, Brian W.; Phan, Thai T.] Univ Pittsburgh, Natl Energy Technol Lab, Reg Univ Alliance, Pittsburgh, PA 15260 USA.
[Capo, Rosemary C.; Stewart, Brian W.; Phan, Thai T.] Univ Pittsburgh, Dept Geol & Planetary Sci, Pittsburgh, PA 15260 USA.
[Jain, Jinesh C.] Natl Energy Technol Lab, URS Washington Div, Pittsburgh, PA 15236 USA.
RP Wall, AJ (reprint author), US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
EM Andrew.Wall@CONTR.NETL.DOE.GOV
OI Phan, Thai/0000-0003-2491-749X
FU U.S. Department of Energy, Office of Fossil Energy, under the Office of
Oil and Natural Gas; Office of Clean Coal (Geologic Carbon Storage);
National Energy Technology Laboratory's ongoing research under the RES
[DE-FE0004000]; agency of the United States Government
FX This work was supported by the U.S. Department of Energy, Office of
Fossil Energy, under the Office of Oil and Natural Gas (Energy Policy
Act of 2005, Section 999 Complementary Program Research) and the Office
of Clean Coal (Geologic Carbon Storage), as performed through the Oak
Ridge Institute for Science and Education at the National Energy
Technology Laboratory (AW) and the National Energy Technology
Laboratory's ongoing research under the RES contract DE-FE0004000 (RCC
and BWS). The authors would like to thank Dan Bain for assistance with
ICP-MS analysis, and three anonymous reviewers for detailed comments
which improved the manuscript. Disclaimer: this report was prepared as
an account of work sponsored by an agency of the United States
Government. Neither the United States Government nor any agency thereof,
nor any of their employees, makes any warranty, express or implied, or
assumes any legal liability or responsibility for the accuracy,
completeness, or usefulness of any information, apparatus, product, or
process disclosed, or represents that its use would not infringe
privately owned rights. Reference herein to any specific commercial
product, process, or service by trade name, trademark, manufacturer, or
otherwise does not necessarily constitute or imply its endorsement,
recommendation, or favoring by the United States Government or any
agency thereof. The views and opinions of authors expressed herein do
not necessarily state or reflect those of the United States Government
or any agency thereof.
NR 36
TC 7
Z9 7
U1 2
U2 31
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0267-9477
J9 J ANAL ATOM SPECTROM
JI J. Anal. At. Spectrom.
PY 2013
VL 28
IS 8
BP 1338
EP 1344
DI 10.1039/c3ja30350k
PG 7
WC Chemistry, Analytical; Spectroscopy
SC Chemistry; Spectroscopy
GA 181NO
UT WOS:000321674600020
ER
PT J
AU Abdallah, J
Adragna, P
Alexa, C
Alves, R
Amaral, P
Ananiev, A
Anderson, K
Andresen, X
Antonaki, A
Batusov, V
Bednar, P
Bergeaas, E
Biscarat, C
Blanch, O
Blanchot, G
Bohm, C
Boldea, V
Bosi, F
Bosman, M
Bromberg, C
Budagov, J
Calvet, D
Cardeira, C
Carli, T
Carvalho, J
Cascella, M
Castillo, MV
Costelo, J
Cavalli-Sforza, M
Cavasinni, V
Cerqueira, AS
Clement, C
Cobal, M
Cogswell, F
Constantinescu, S
Costanzo, D
Da Silva, P
David, M
Davidek, T
Dawson, J
De, K
Del Prete, T
Diakov, E
Di Girolamo, B
Dita, S
Dolejsi, J
Dolezal, Z
Dotti, A
Downing, R
Drake, G
Efthymiopoulos, I
Errede, D
Errede, S
Farbin, A
Fassouliotis, D
Feng, E
Fenyuk, A
Ferdi, C
Ferreira, BC
Ferrer, A
Flaminio, V
Flix, J
Francavilla, P
Fullana, E
Garde, V
Gellerstedt, K
Giakoumopoulou, V
Giangiobbe, V
Gildemeister, O
Gilewsky, V
Giokaris, N
Gollub, N
Gomes, A
Gonzalez, V
Gouveia, J
Grenier, P
Gris, P
Guarino, V
Guicheney, C
Gupta, A
Hakobyan, H
Haney, M
Hellman, S
Henriques, A
Higon, E
Hill, N
Holmgren, S
Hruska, I
Hurwitz, M
Huston, J
Plante, IJL
Jon-And, K
Junk, T
Karyukhin, A
Khubua, J
Klereborn, J
Konstantinov, V
Kopikov, S
Korolkov, I
Krivkova, P
Kulchitsky, Y
Kurochkin, Y
Kuzhir, P
Lapin, V
LeCompte, T
Lefevre, R
Leitner, R
Li, J
Liablin, M
Lokajicek, M
Lomakin, Y
Lourtie, P
Lovas, L
Lupi, A
Maidantchik, C
Maio, A
Maliukov, S
Manousakis, A
Marques, C
Marroquim, F
Martin, F
Mazzoni, E
Merritt, F
Miagkov, A
Miller, R
Minashvili, I
Miralles, L
Montarou, G
Nemecek, S
Nessi, M
Nikitine, I
Nodulman, L
Norniella, O
Onofre, A
Oreglia, M
Palan, B
Pallin, D
Pantea, D
Pereira, A
Pilcher, J
Pina, J
Pinhao, J
Pod, E
Podlyski, F
Portell, X
Poveda, J
Pribyl, L
Price, E
Proudfoot, J
Ramalho, M
Ramstedt, M
Raposeiro, L
Reis, J
Richards, R
Roda, C
Romanov, V
Rosnet, P
Roy, P
Ruiz, A
Rumiantsau, V
Russakovich, N
Da Costa, JS
Salto, O
Salvachua, B
Sanchis, E
Sanders, H
Santoni, C
Santos, J
Saraiva, JG
Sarri, F
Says, LP
Schlager, G
Schlereth, J
Seixas, JM
Sellden, B
Shalanda, N
Shevtsov, P
Shochet, M
Silva, J
Simaitis, V
Simonyan, M
Sissakian, A
Sjoelin, J
Solans, C
Solodkov, A
Solovianov, O
Sosebee, M
Spano, F
Speckmeyer, P
Stanek, R
Starchenko, E
Starovoitov, P
Suk, M
Sykora, I
Tang, F
Tas, P
Teuscher, R
Tischenko, M
Tokar, S
Topilin, N
Torres, J
Underwood, D
Usai, G
Valero, A
Valkar, S
Valls, JA
Vartapetian, A
Vazeille, F
Vellidis, C
Ventura, F
Vichou, I
Vivarelli, I
Volpi, M
White, A
Zaitsev, A
Zaytsev, Y
Zenin, A
Zenis, T
Zenonos, Z
Zenz, S
Zilka, B
AF Abdallah, J.
Adragna, P.
Alexa, C.
Alves, R.
Amaral, P.
Ananiev, A.
Anderson, K.
Andresen, X.
Antonaki, A.
Batusov, V.
Bednar, P.
Bergeaas, E.
Biscarat, C.
Blanch, O.
Blanchot, G.
Bohm, C.
Boldea, V.
Bosi, F.
Bosman, M.
Bromberg, C.
Budagov, J.
Calvet, D.
Cardeira, C.
Carli, T.
Carvalho, J.
Cascella, M.
Castillo, M. V.
Costelo, J.
Cavalli-Sforza, M.
Cavasinni, V.
Cerqueira, A. S.
Clement, C.
Cobal, M.
Cogswell, F.
Constantinescu, S.
Costanzo, D.
Da Silva, P.
David, M.
Davidek, T.
Dawson, J.
De, K.
Del Prete, T.
Diakov, E.
Di Girolamo, B.
Dita, S.
Dolejsi, J.
Dolezal, Z.
Dotti, A.
Downing, R.
Drake, G.
Efthymiopoulos, I.
Errede, D.
Errede, S.
Farbin, A.
Fassouliotis, D.
Feng, E.
Fenyuk, A.
Ferdi, C.
Ferreira, B. C.
Ferrer, A.
Flaminio, V.
Flix, J.
Francavilla, P.
Fullana, E.
Garde, V.
Gellerstedt, K.
Giakoumopoulou, V.
Giangiobbe, V.
Gildemeister, O.
Gilewsky, V.
Giokaris, N.
Gollub, N.
Gomes, A.
Gonzalez, V.
Gouveia, J.
Grenier, P.
Gris, P.
Guarino, V.
Guicheney, C.
Gupta, A.
Hakobyan, H.
Haney, M.
Hellman, S.
Henriques, A.
Higon, E.
Hill, N.
Holmgren, S.
Hruska, I.
Hurwitz, M.
Huston, J.
Plante, I. Jen-La
Jon-And, K.
Junk, T.
Karyukhin, A.
Khubua, J.
Klereborn, J.
Konstantinov, V.
Kopikov, S.
Korolkov, I.
Krivkova, P.
Kulchitsky, Y.
Kurochkin, Yu
Kuzhir, P.
Lapin, V.
LeCompte, T.
Lefevre, R.
Leitner, R.
Li, J.
Liablin, M.
Lokajicek, M.
Lomakin, Y.
Lourtie, P.
Lovas, L.
Lupi, A.
Maidantchik, C.
Maio, A.
Maliukov, S.
Manousakis, A.
Marques, C.
Marroquim, F.
Martin, F.
Mazzoni, E.
Merritt, F.
Miagkov, A.
Miller, R.
Minashvili, I.
Miralles, L.
Montarou, G.
Nemecek, S.
Nessi, M.
Nikitine, I.
Nodulman, L.
Norniella, O.
Onofre, A.
Oreglia, M.
Palan, B.
Pallin, D.
Pantea, D.
Pereira, A.
Pilcher, J.
Pina, J.
Pinhao, J.
Pod, E.
Podlyski, F.
Portell, X.
Poveda, J.
Pribyl, L.
Price, E.
Proudfoot, J.
Ramalho, M.
Ramstedt, M.
Raposeiro, L.
Reis, J.
Richards, R.
Roda, C.
Romanov, V.
Rosnet, P.
Roy, P.
Ruiz, A.
Rumiantsau, V.
Russakovich, N.
Da Costa, J. Sa
Salto, O.
Salvachua, B.
Sanchis, E.
Sanders, H.
Santoni, C.
Santos, J.
Saraiva, J. G.
Sarri, F.
Says, L. -P.
Schlager, G.
Schlereth, J.
Seixas, J. M.
Sellden, B.
Shalanda, N.
Shevtsov, P.
Shochet, M.
Silva, J.
Simaitis, V.
Simonyan, M.
Sissakian, A.
Sjoelin, J.
Solans, C.
Solodkov, A.
Solovianov, O.
Sosebee, M.
Spano, F.
Speckmeyer, P.
Stanek, R.
Starchenko, E.
Starovoitov, P.
Suk, M.
Sykora, I.
Tang, F.
Tas, P.
Teuscher, R.
Tischenko, M.
Tokar, S.
Topilin, N.
Torres, J.
Underwood, D.
Usai, G.
Valero, A.
Valkar, S.
Valls, J. A.
Vartapetian, A.
Vazeille, F.
Vellidis, C.
Ventura, F.
Vichou, I.
Vivarelli, I.
Volpi, M.
White, A.
Zaitsev, A.
Zaytsev, Yu
Zenin, A.
Zenis, T.
Zenonos, Z.
Zenz, S.
Zilka, B.
CA ATLAS Tile Calorimeter Community
TI The optical instrumentation of the ATLAS Tile Calorimeter
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article
DE Calorimeters; Calorimeter methods; Scintillators, scintillation and
light emission processes (solid, gas and liquid scintillators)
ID HADRON CALORIMETER
AB The Tile Calorimeter, covering the central region of the ATLAS experiment up to pseudorapidities of +/-1.7, is a sampling device built with scintillating tiles that alternate with iron plates. The light is collected in wave-length shifting (WLS) fibers and is read out with photomultipliers. In the characteristic geometry of this calorimeter the tiles lie in planes perpendicular to the beams, resulting in a very simple and modular mechanical and optical layout. This paper focuses on the procedures applied in the optical instrumentation of the calorimeter, which involved the assembly of about 460,000 scintillator tiles and 550,000 WLS fibers. The outcome is a hadronic calorimeter that meets the ATLAS performance requirements, as shown in this paper.
C1 [Dawson, J.; Drake, G.; Guarino, V.; Hill, N.; LeCompte, T.; Nodulman, L.; Price, E.; Proudfoot, J.; Schlereth, J.; Stanek, R.; Underwood, D.] Argonne Natl Lab, Argonne, IL 60439 USA.
[De, K.; Li, J.; Sosebee, M.; Vartapetian, A.; White, A.] Univ Texas Arlington, Arlington, TX 76019 USA.
[Antonaki, A.; Fassouliotis, D.; Giakoumopoulou, V.; Giokaris, N.; Manousakis, A.; Vellidis, C.] Univ Athens, Athens, Greece.
[Blanch, O.; Blanchot, G.; Bosman, M.; Cavalli-Sforza, M.; Flix, J.; Korolkov, I.; Miralles, L.; Norniella, O.; Portell, X.; Salto, O.; Volpi, M.] Univ Autonoma Barcelona, Inst Fis Altes Energies, E-08193 Barcelona, Spain.
[Bednar, P.; Lovas, L.; Sykora, I.; Tokar, S.; Zenis, T.; Zilka, B.] Comenius Univ, Bratislava, Slovakia.
[Alexa, C.; Boldea, V.; Constantinescu, S.; Dita, S.; Pantea, D.] Nat Inst Phys & Nucl Engn, Bucharest, Romania.
[Anderson, K.; Farbin, A.; Feng, E.; Gupta, A.; Hurwitz, M.; Plante, I. Jen-La; Merritt, F.; Oreglia, M.; Pilcher, J.; Pod, E.; Sanders, H.; Shochet, M.; Tang, F.; Teuscher, R.; Zenz, S.] Univ Chicago, Chicago, IL 60637 USA.
[Biscarat, C.; Calvet, D.; Ferdi, C.; Garde, V.; Gris, P.; Guicheney, C.; Lefevre, R.; Martin, F.; Montarou, G.; Pallin, D.; Podlyski, F.; Rosnet, P.; Roy, P.; Santoni, C.; Says, L. -P.; Vazeille, F.] Univ Clermont Ferrand, CNRS IN2P3, LPC Clermont Ferrand, Clermont Ferrand, France.
[Batusov, V.; Budagov, J.; Khubua, J.; Kulchitsky, Y.; Liablin, M.; Lomakin, Y.; Maliukov, S.; Minashvili, I.; Romanov, V.; Russakovich, N.; Sissakian, A.; Topilin, N.] Joint Inst Nucl Res Dubna, Dubna, Russia.
[Bromberg, C.; Huston, J.; Miller, R.; Richards, R.] Michigan State Univ, E Lansing, MI 48824 USA.
[Amaral, P.; Andresen, X.; Carli, T.; Clement, C.; Cobal, M.; Davidek, T.; Di Girolamo, B.; Efthymiopoulos, I.; Farbin, A.; Gildemeister, O.; Gollub, N.; Grenier, P.; Henriques, A.; Martin, F.; Nessi, M.; Schlager, G.; Spano, F.; Speckmeyer, P.] CERN, Geneva, Switzerland.
[Amaral, P.; Andresen, X.; David, M.; Gomes, A.; Maio, A.; Marques, C.; Pina, J.; Santos, J.; Saraiva, J. G.; Silva, J.] LIP & FCUL Univ Lisbon, Lisbon, Portugal.
[Alves, R.; Carvalho, J.; Pereira, A.; Pinhao, J.] LIP & FCTUC Univ Coimbra, Coimbra, Portugal.
[Onofre, A.] LIP & Univ Catolica Figueira Foz, Foz, Portugal.
[Gilewsky, V.; Kulchitsky, Y.; Kurochkin, Yu] Natl Acad Sci, Inst Phys, Minsk, Byelarus.
[Kuzhir, P.; Rumiantsau, V.; Shevtsov, P.; Starovoitov, P.] Nat Ctr Particles & High Energy Phys, Minsk, Byelarus.
[Adragna, P.; Bosi, F.; Cascella, M.; Cavasinni, V.; Costanzo, D.; Del Prete, T.; Dotti, A.; Flaminio, V.; Francavilla, P.; Giangiobbe, V.; Lupi, A.; Mazzoni, E.; Roda, C.; Sarri, F.; Spano, F.; Usai, G.; Vivarelli, I.; Zenonos, Z.] Univ Pisa, Pisa, Italy.
[Adragna, P.; Bosi, F.; Cascella, M.; Cavasinni, V.; Costanzo, D.; Del Prete, T.; Dotti, A.; Flaminio, V.; Francavilla, P.; Giangiobbe, V.; Lupi, A.; Mazzoni, E.; Roda, C.; Sarri, F.; Spano, F.; Usai, G.; Vivarelli, I.; Zenonos, Z.] Ist Nazl Fis Nucl, Pisa, Italy.
[Davidek, T.; Dolejsi, J.; Dolezal, Z.; Krivkova, P.; Leitner, R.; Suk, M.; Tas, P.; Valkar, S.] Charles Univ Prague, Prague, Czech Republic.
[Hruska, I.; Lokajicek, M.; Nemecek, S.; Palan, B.; Pribyl, L.] Acad Sci Czech Republic, Inst Phys, Prague, Czech Republic.
[Fenyuk, A.; Karyukhin, A.; Konstantinov, V.; Kopikov, S.; Lapin, V.; Miagkov, A.; Nikitine, I.; Shalanda, N.; Solodkov, A.; Solovianov, O.; Starchenko, E.; Zaitsev, A.; Zenin, A.] Inst High Energy Phys, Protvino, Russia.
[Cerqueira, A. S.; Da Silva, P.; Ferreira, B. C.; Maidantchik, C.; Marroquim, F.; Seixas, J. M.] COPPE EE UFRJ, Rio De Janeiro, Brazil.
[Bergeaas, E.; Bohm, C.; Clement, C.; Gellerstedt, K.; Hellman, S.; Holmgren, S.; Jon-And, K.; Klereborn, J.; Ramstedt, M.; Sellden, B.; Sjoelin, J.] Stockholm Univ, S-10691 Stockholm, Sweden.
[Khubua, J.] Tbilisi State Univ, HEPI, GE-380086 Tbilisi, Rep of Georgia.
[Cogswell, F.; Downing, R.; Errede, D.; Errede, S.; Haney, M.; Junk, T.; Simaitis, V.; Vichou, I.] Univ Illinois, Urbana, IL 61801 USA.
[Abdallah, J.; Castillo, M. V.; Costelo, J.; Ferrer, A.; Fullana, E.; Gonzalez, V.; Higon, E.; Poveda, J.; Ruiz, A.; Salvachua, B.; Sanchis, E.; Solans, C.; Torres, J.; Valero, A.; Valls, J. A.] Univ Valencia, Ctr Mixto, CSIC, IFIC, E-46100 Burjassot, Valencia, Spain.
[Hakobyan, H.; Simonyan, M.] Yerevan Phys Inst, Yerevan 375036, Armenia.
[Diakov, E.; Tischenko, M.; Zaytsev, Yu] SIA Luch, Podolsk, Russia.
[Ananiev, A.; Cardeira, C.; Gouveia, J.; Lourtie, P.; Ramalho, M.; Raposeiro, L.; Reis, J.; Da Costa, J. Sa; Ventura, F.] LIP & IDMEC IST, Lisbon, Portugal.
RP Davidek, T (reprint author), Charles Univ Prague, Prague, Czech Republic.
EM Tomas.Davidek@cern.ch
RI Gonzalez Millan, Vicente/J-3023-2012; Solodkov, Alexander/B-8623-2017;
Zaitsev, Alexandre/B-8989-2017; Cardeira, Carlos/K-9502-2013; Sanchis
Peris, Enrique/J-7348-2016; Karyukhin, Andrey/J-3904-2014; Ananiev,
Anani/D-9383-2015; Kuzhir, Polina/H-8653-2012; De, Kaushik/N-1953-2013;
Ferrer, Antonio/H-2942-2015; Carvalho, Joao/M-4060-2013; Flix,
Josep/G-5414-2012; Sa da Costa, Jose/N-6961-2013; Nemecek,
Stanislav/G-5931-2014; Lokajicek, Milos/G-7800-2014; Bosman,
Martine/J-9917-2014; Torres, Jose/H-3231-2015; Cavalli-Sforza,
Matteo/H-7102-2015; Cascella, Michele/B-6156-2013;
OI Gonzalez Millan, Vicente/0000-0001-6014-2586; Solodkov,
Alexander/0000-0002-2737-8674; Zaitsev, Alexandre/0000-0002-4961-8368;
Cardeira, Carlos/0000-0002-7966-4648; Sanchis Peris,
Enrique/0000-0002-9689-9131; Maio, Amelia/0000-0001-9099-0009;
Karyukhin, Andrey/0000-0001-9087-4315; Gomes,
Agostinho/0000-0002-5940-9893; Reis, Joao/0000-0002-7586-6269; Ananiev,
Anani/0000-0002-5925-1379; Kuzhir, Polina/0000-0003-3689-0837; De,
Kaushik/0000-0002-5647-4489; Ferrer, Antonio/0000-0003-0532-711X;
Carvalho, Joao/0000-0002-3015-7821; Flix, Josep/0000-0003-2688-8047; Sa
da Costa, Jose/0000-0001-9773-9896; Bosman, Martine/0000-0002-7290-643X;
Torres, Jose/0000-0002-1525-1828; Cascella, Michele/0000-0003-2091-2501;
Mendes Saraiva, Joao Gentil/0000-0002-7006-0864; Pina, Joao
/0000-0001-8959-5044
FU Ministry of Economical Development and Trade, Armenia; State Committee
on Science & Technologies of the Republic of Belarus; CNPq, Brazil;
FINEP, Brazil; CERN; Ministry of Education, Youth and Sports of the
Czech Republic; Ministry of Industry and Trade of the Czech Republic;
Committee for Collaboration of the Czech Republic; IN2P3, France;
Georgian Academy of Sciences; GSRT, Greece; NKUA/SARG, Greece; INFN,
Italy; GRICES, Portugal; FCT, Portugal; Ministry of Education and
Research, Romania; Ministry of Education and Science of the Russian
Federation; Russian Federal Agency of Science and Innovations; Russian
Federal Agency of Atomic Energy; JINR; Ministry Department of
International Science and Technology Cooperation; Ministry of Education
of the Slovak Republic; Ministerio de Educacion y Ciencia (MEC), Spain;
Swedish Research Council, Sweden; Knut and Alice Wallenberg Foundation,
Sweden; DOE, United States of America; NSF, United States of America
FX We acknowledge the support of The Ministry of Economical Development and
Trade, Armenia; State Committee on Science & Technologies of the
Republic of Belarus; CNPq and FINEP, Brazil; CERN; Ministry of
Education, Youth and Sports of the Czech Republic, Ministry of Industry
and Trade of the Czech Republic, and Committee for Collaboration of the
Czech Republic with CERN; IN2P3, France; Georgian Academy of Sciences;
GSRT and NKUA/SARG, Greece; INFN, Italy; GRICES and FCT, Portugal;
Ministry of Education and Research, Romania; Ministry of Education and
Science of the Russian Federation, Russian Federal Agency of Science and
Innovations, and Russian Federal Agency of Atomic Energy; JINR; Ministry
Department of International Science and Technology Cooperation, Ministry
of Education of the Slovak Republic; Ministerio de Educacion y Ciencia
(MEC), Spain; The Swedish Research Council, The Knut and Alice
Wallenberg Foundation, Sweden; DOE and NSF, United States of America.
NR 15
TC 0
Z9 0
U1 1
U2 20
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 1748-0221
J9 J INSTRUM
JI J. Instrum.
PD JAN
PY 2013
VL 8
AR P01005
DI 10.1088/1748-0221/8/01/P01005
PG 21
WC Instruments & Instrumentation
SC Instruments & Instrumentation
GA 167WF
UT WOS:000320665400062
ER
PT J
AU Alvarez, V
Bandac, I
Bettini, A
Borges, FIGM
Carcel, S
Castel, J
Cebrian, S
Cervera, A
Conde, CAN
Dafni, T
Dias, THVT
Diaz, J
Egorov, M
Esteve, R
Evtoukhovitch, P
Fernandes, LMP
Ferrario, P
Ferreira, AL
Freitas, EDC
Gehman, VM
Gil, A
Goldschmidt, A
Gomez, H
Gomez-Cadenas, JJ
Gonzalez-Diaz, D
Gutierrez, RM
Hauptman, J
Morata, JAH
Herrera, DC
Iguaz, FJ
Irastorza, IG
Jinete, MA
Labarga, L
Laing, A
Liubarsky, I
Lopes, JAM
Lorca, D
Losada, M
Luzon, G
Mari, A
Martin-Albo, J
Martinez, A
Miller, T
Moiseenko, A
Monrabal, F
Monteiro, CMB
Mora, FJ
Moutinho, LM
Vidal, JM
da Luz, HN
Navarro, G
Nebot-Guinot, M
Nygren, D
Oliveira, CAB
de Solorzano, AO
Palma, R
Perez, J
Aparicio, JLP
Renner, J
Ripoll, L
Rodriguez, A
Rodriguez, J
Santos, FP
dos Santos, JMF
Segui, L
Serra, L
Shuman, D
Simon, A
Sofka, C
Sorel, M
Toledo, JF
Tomas, A
Torrent, J
Tsamalaidze, Z
Vazquez, D
Veloso, JFCA
Villar, JA
Webb, RC
White, JT
Yahlali, N
AF Alvarez, V.
Bandac, I.
Bettini, A.
Borges, F. I. G. M.
Carcel, S.
Castel, J.
Cebrian, S.
Cervera, A.
Conde, C. A. N.
Dafni, T.
Dias, T. H. V. T.
Diaz, J.
Egorov, M.
Esteve, R.
Evtoukhovitch, P.
Fernandes, L. M. P.
Ferrario, P.
Ferreira, A. L.
Freitas, E. D. C.
Gehman, V. M.
Gil, A.
Goldschmidt, A.
Gomez, H.
Gomez-Cadenas, J. J.
Gonzalez-Diaz, D.
Gutierrez, R. M.
Hauptman, J.
Hernando Morata, J. A.
Herrera, D. C.
Iguaz, F. J.
Irastorza, I. G.
Jinete, M. A.
Labarga, L.
Laing, A.
Liubarsky, I.
Lopes, J. A. M.
Lorca, D.
Losada, M.
Luzon, G.
Mari, A.
Martin-Albo, J.
Martinez, A.
Miller, T.
Moiseenko, A.
Monrabal, F.
Monteiro, C. M. B.
Mora, F. J.
Moutinho, L. M.
Munoz Vidal, J.
da Luz, H. Natal
Navarro, G.
Nebot-Guinot, M.
Nygren, D.
Oliveira, C. A. B.
Ortiz de Solorzano, A.
Palma, R.
Perez, J.
Perez Aparicio, J. L.
Renner, J.
Ripoll, L.
Rodriguez, A.
Rodriguez, J.
Santos, F. P.
dos Santos, J. M. F.
Segui, L.
Serra, L.
Shuman, D.
Simon, A.
Sofka, C.
Sorel, M.
Toledo, J. F.
Tomas, A.
Torrent, J.
Tsamalaidze, Z.
Vazquez, D.
Veloso, J. F. C. A.
Villar, J. A.
Webb, R. C.
White, J. T.
Yahlali, N.
TI Radiopurity control in the NEXT-100 double beta decay experiment:
procedures and initial measurements
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article
DE Radiation calculations; Time projection Chambers (TPC); Gamma detectors
(scintillators, CZT, HPG, HgI etc)
ID LOW RADIOACTIVITY LEVELS; SEARCH; SPECTROMETRY; SELECTION; GERDA; MASS
AB The "Neutrino Experiment with a Xenon Time-Projection Chamber" (NEXT) is intended to investigate the neutrinoless double beta decay of Xe-136, which requires a severe suppression of potential backgrounds. An extensive screening and material selection process is underway for NEXT since the control of the radiopurity levels of the materials to be used in the experimental set-up is a must for rare event searches. First measurements based on Glow Discharge Mass Spectrometry and gamma-ray spectroscopy using ultra-low background germanium detectors at the Laboratorio Subterraneo de Canfranc (Spain) are described here. Activity results for natural radioactive chains and other common radionuclides are summarized, being the values obtained for some materials like copper and stainless steel very competitive. The implications of these results for the NEXT experiment are also discussed.
C1 [Alvarez, V.; Carcel, S.; Cervera, A.; Diaz, J.; Ferrario, P.; Gil, A.; Gomez-Cadenas, J. J.; Laing, A.; Liubarsky, I.; Lorca, D.; Martin-Albo, J.; Martinez, A.; Monrabal, F.; Munoz Vidal, J.; Nebot-Guinot, M.; Rodriguez, J.; Serra, L.; Simon, A.; Sorel, M.; Yahlali, N.] CSIC, Inst Fis Corpuscular IFIC, Valencia 46980, Spain.
[Alvarez, V.; Carcel, S.; Cervera, A.; Diaz, J.; Ferrario, P.; Gil, A.; Gomez-Cadenas, J. J.; Laing, A.; Liubarsky, I.; Lorca, D.; Martin-Albo, J.; Martinez, A.; Monrabal, F.; Munoz Vidal, J.; Nebot-Guinot, M.; Rodriguez, J.; Serra, L.; Simon, A.; Sorel, M.; Yahlali, N.] Univ Valencia, Valencia 46980, Spain.
[Bandac, I.; Bettini, A.; Castel, J.; Cebrian, S.; Dafni, T.; Gomez, H.; Gonzalez-Diaz, D.; Herrera, D. C.; Iguaz, F. J.; Irastorza, I. G.; Luzon, G.; Ortiz de Solorzano, A.; Rodriguez, A.; Segui, L.; Tomas, A.; Villar, J. A.] Lab Subterraneo Canfranc, Canfranc Estn 22880, Huesca, Spain.
[Bettini, A.] Univ Padua, Dipartimento Fis, I-35131 Padua, Italy.
[Bettini, A.] INFN Sect, I-35131 Padua, Italy.
[Borges, F. I. G. M.; Conde, C. A. N.; Dias, T. H. V. T.; Fernandes, L. M. P.; Freitas, E. D. C.; Lopes, J. A. M.; Monteiro, C. M. B.; da Luz, H. Natal; Santos, F. P.; dos Santos, J. M. F.] Univ Coimbra, Dept Fis, P-3004516 Coimbra, Portugal.
[Castel, J.; Cebrian, S.; Dafni, T.; Gomez, H.; Gonzalez-Diaz, D.; Herrera, D. C.; Iguaz, F. J.; Irastorza, I. G.; Luzon, G.; Ortiz de Solorzano, A.; Rodriguez, A.; Segui, L.; Tomas, A.; Villar, J. A.] Univ Zaragoza, Lab Fis Nucl & Astroparticulas, E-50009 Zaragoza, Spain.
[Egorov, M.; Gehman, V. M.; Goldschmidt, A.; Miller, T.; Nygren, D.; Oliveira, C. A. B.; Renner, J.; Shuman, D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Esteve, R.; Mari, A.; Mora, F. J.; Toledo, J. F.] Univ Politecn Valencia, Inst Instrumentac Imagen Mol I3M, Valencia 46022, Spain.
[Evtoukhovitch, P.; Moiseenko, A.; Tsamalaidze, Z.] Joint Inst Nucl Res, Dubna 141980, Russia.
[Ferreira, A. L.; Moutinho, L. M.; Veloso, J. F. C. A.] Univ Aveiro, Inst Nanostruct Nanomodelling & Nanofabricat I3N, P-3810193 Aveiro, Portugal.
[Gutierrez, R. M.; Jinete, M. A.; Losada, M.; Navarro, G.] Univ Antonio Narino, Ctr Invest Ciencias Basicas & Aplicadas, Bogota, Colombia.
[Hauptman, J.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
[Hernando Morata, J. A.; Vazquez, D.] Univ Santiago de Compostela, Inst Gallego Fis Altas Energias, Santiago De Compostela 15782, Spain.
[Labarga, L.] Univ Autonoma Madrid, Dept Fis Teor, E-28049 Madrid, Spain.
[Palma, R.; Perez Aparicio, J. L.] Univ Politecn Valencia, Dept Mecan Medios Continuos & Teor Estruct, E-46071 Valencia, Spain.
[Perez, J.] UAM CSIC, Inst Fis Teor, Madrid 28049, Spain.
[Ripoll, L.; Torrent, J.] Univ Girona, Escola Politecn Super, Girona 17071, Spain.
[Sofka, C.; Webb, R. C.; White, J. T.] Texas A&M Univ, Dept Phys & Astron, College Stn, TX 77843 USA.
RP Cebrian, S (reprint author), Lab Subterraneo Canfranc, Paseo Ayerbe S-N, Canfranc Estn 22880, Huesca, Spain.
EM gomez@mail.cern.ch
RI veloso, joao/J-4478-2013; Irastorza, Igor/B-2085-2012; Gomez Cadenas,
Juan Jose/L-2003-2014; Moutinho, Luis/J-6021-2013; Diaz,
Jose/B-3454-2012; Dafni, Theopisti /J-9646-2012; AMADE Research Group,
AMADE/B-6537-2014; Balanzat, Josep Costa/C-1017-2014; matias-lopes,
jose/H-6074-2012; Villar, Jose Angel/K-6630-2014; Gonzalez Diaz,
Diego/K-7265-2014; Hernando Morata, Jose Angel/L-7642-2014; Gil Ortiz,
Alejandro/M-1671-2014; YAHLALI, NADIA/L-1880-2014; Monrabal,
Francesc/A-5880-2015; Ripoll, Lluis/A-8413-2015; dos Santos,
Joaquim/B-3058-2015; Perez-Aparicio, Jose/H-7053-2015; Natal da Luz,
Hugo/F-6460-2013; Fernandes, Luis/E-2372-2011; Iguaz Gutierrez,
Francisco Jose/F-4117-2016
OI Irastorza, Igor/0000-0003-1163-1687; Gomez Cadenas, Juan
Jose/0000-0002-8224-7714; Moutinho, Luis/0000-0001-9074-4449; Diaz,
Jose/0000-0002-7239-223X; Dafni, Theopisti /0000-0002-8921-910X; AMADE
Research Group, AMADE/0000-0002-5778-3291; matias-lopes,
jose/0000-0002-6366-2963; Villar, Jose Angel/0000-0003-0228-7589;
Gonzalez Diaz, Diego/0000-0002-6809-5996; Sorel,
Michel/0000-0003-2141-9508; Toledo Alarcon, Jose
Francisco/0000-0002-9782-4510; Freitas, Elisabete/0000-0001-8235-3229;
Santos, Filomena/0000-0002-0214-4185; Martin-Albo,
Justo/0000-0002-7318-1469; Veloso, Joao/0000-0002-7107-7203; Munoz
Vidal, Javier/0000-0002-9649-2251; Dias, Teresa/0000-0001-5101-4902;
Borges Soares, Filipa/0000-0001-5790-173X; Ferreira, Antonio
/0000-0002-8696-3590; dos Santos, Joaquim Marques
Ferreira/0000-0002-8841-6523; Conde, Carlos/0000-0002-1387-2161;
Monteiro, Cristina Maria Bernardes/0000-0002-1912-2804; Palma,
Roberto/0000-0002-4047-381X; Luzon Marco, Gloria/0000-0002-5352-1884;
Hernando Morata, Jose Angel/0000-0002-8683-5142; Gil Ortiz,
Alejandro/0000-0002-0852-412X; YAHLALI, NADIA/0000-0003-2184-0132;
Monrabal, Francesc/0000-0002-4047-5620; Ripoll,
Lluis/0000-0001-8194-5396; Perez-Aparicio, Jose/0000-0003-2884-6991;
Natal da Luz, Hugo/0000-0003-1177-870X; Fernandes,
Luis/0000-0002-7061-8768; Iguaz Gutierrez, Francisco
Jose/0000-0001-6327-9369
FU Spanish Ministerio de Economia y Competitividad [CONSOLIDER-Ingenio 2010
CSD2008-0037, Consolider-Ingenio 2010 CSD2007-00042, FPA2008-03456,
FPA2009-13697-C04-04]; FCT(Lisbon) and FEDER [PTDC/FIS/103860/2008];
European Commission under the European Research Council T-REX Starting
Grant of the IDEAS program of the 7th EU Framework Program
[ERC-2009-StG-240054]; Office of Science, Office of Basic Energy
Sciences, of the US Department of Energy [DE-AC02-05CH11231]; European
Regional Development Fund (ERDF/FEDER); US DOE NNSA Stewardship Science
Graduate Fellowship [DE-FC52-08NA28752]; Eurotalents program
FX We deeply acknowledge LSC directorate and staff for their strong support
for performing the measurements at the LSC Radiopurity Service. The NEXT
Collaboration acknowledges funding support from the following agencies
and institutions: the Spanish Ministerio de Economia y Competitividad
under grants CONSOLIDER-Ingenio 2010 CSD2008-0037 (CUP),
Consolider-Ingenio 2010 CSD2007-00042 (CPAN), and under contracts ref.
FPA2008-03456, FPA2009-13697-C04-04; FCT(Lisbon) and FEDER under grant
PTDC/FIS/103860/2008; the European Commission under the European
Research Council T-REX Starting Grant ref. ERC-2009-StG-240054 of the
IDEAS program of the 7th EU Framework Program; Director, Office of
Science, Office of Basic Energy Sciences, of the US Department of Energy
under contract no. DE-AC02-05CH11231. Part of these grants are funded by
the European Regional Development Fund (ERDF/FEDER). J. Renner (LBNL)
acknowledges the support of a US DOE NNSA Stewardship Science Graduate
Fellowship under contract no. DE-FC52-08NA28752. F.I. acknowledges the
support from the Eurotalents program.
NR 32
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PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 1748-0221
J9 J INSTRUM
JI J. Instrum.
PD JAN
PY 2013
VL 8
AR T01002
DI 10.1088/1748-0221/8/01/T01002
PG 19
WC Instruments & Instrumentation
SC Instruments & Instrumentation
GA 167WF
UT WOS:000320665400083
ER
PT J
AU Choong, WS
Peng, Q
Vu, CQ
Turko, BT
Moses, WW
AF Choong, W. -S.
Peng, Q.
Vu, C. Q.
Turko, B. T.
Moses, W. W.
TI High-performance electronics for time-of-flight PET systems
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article
DE Analogue electronic circuits; Gamma camera, SPECT, PET PET/CT, coronary
CT angiography (CTA); Front-end electronics for detector readout
ID RESOLUTION
AB We have designed and built a high-performance readout electronics system for time-of-flight positron emission tomography (TOF PET) cameras. The electronics architecture is based on the electronics for a commercial whole-body PET camera (Siemens/CPS Cardinal electronics), modified to improve the timing performance. The fundamental contributions in the electronics that can limit the timing resolution include the constant fraction discriminator (CFD), which converts the analog electrical signal from the photo-detector to a digital signal whose leading edge is time-correlated with the input signal, and the time-to-digital converter (TDC), which provides a time stamp for the CFD output. Coincident events are identified by digitally comparing the values of the time stamps. In the Cardinal electronics, the front-end processing electronics are performed by an Analog subsection board, which has two application-specific integrated circuits (ASICs), each servicing a PET block detector module. The ASIC has a built-in CFD and TDC. We found that a significant degradation in the timing resolution comes from the ASIC's CFD and TDC. Therefore, we have designed and built an improved Analog subsection board that replaces the ASIC's CFD and TDC with a high-performance CFD (made with discrete components) and TDC (using the CERN high-performance TDC ASIC). The improved Analog subsection board is used in a custom single-ring LSO-based TOF PET camera. The electronics system achieves a timing resolution of 60 ps FWHM. Prototype TOF detector modules are read out with the electronics system and give coincidence timing resolutions of 259 ps FWHM and 156 ps FWHM for detector modules coupled to LSO and LaBr3 crystals respectively.
C1 [Choong, W. -S.; Peng, Q.; Vu, C. Q.; Turko, B. T.; Moses, W. W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Choong, WS (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM wschoong@lbl.gov
RI peng, qiyu/G-1586-2013
FU Office of Science, Office of Biological and Environmental Research,
Biological Systems Science Division of the U.S. Department of Energy
[DE-AC02-05CH11231]; National Institutes of Health, National Institute
of Biomedical Imaging and Bioengineering [R01EB006085]
FX The authors would like to thank Mike Casey and John Young of Siemens
Medical Solutions, Knoxville, TN, for their support with the Siemens/CPS
Cardinal electronics. This work was supported in part by the Director,
Office of Science, Office of Biological and Environmental Research,
Biological Systems Science Division of the U.S. Department of Energy
under contract no. DE-AC02-05CH11231, and in part by the National
Institutes of Health, National Institute of Biomedical Imaging and
Bioengineering, under Grant Number R01EB006085.
NR 5
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PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 1748-0221
J9 J INSTRUM
JI J. Instrum.
PD JAN
PY 2013
VL 8
AR T01006
DI 10.1088/1748-0221/8/01/T01006
PG 10
WC Instruments & Instrumentation
SC Instruments & Instrumentation
GA 167WF
UT WOS:000320665400087
PM 24575149
ER
PT J
AU Jones, BJP
VanGemert, JK
Conrad, JM
Pla-Dalmau, A
AF Jones, B. J. P.
VanGemert, J. K.
Conrad, J. M.
Pla-Dalmau, A.
TI Photodegradation mechanisms of tetraphenyl butadiene coatings for liquid
argon detectors
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article
DE Noble-liquid detectors (scintillation, ionization two-phase);
Scintillators, scintillation and light emission processes (solid, gas
and liquid scintillators); Photon detectors for UV, visible and IR
photons (gas) (gas-photocathodes, solid-photocathodes)
AB We report on studies of degradation mechanisms of tetraphenyl butadiene (TPB) coatings of the type used in neutrino and dark matter liquid argon experiments. Using gas chromatography coupled to mass spectrometry we have detected the ultraviolet-blocking impurity benzophenone. We monitored the drop in performance and increase of benzophenone concentration in TPB plates with exposure to ultraviolet (UV) light, and demonstrate the correlation between these two variables. Based on the presence and initially exponential increase in the concentration of benzophenone observed, we propose that TPB degradation is a free radical-mediated photooxidation reaction, which is subsequently confirmed by displaying delayed degradation using a free radical inhibitor. Finally we show that the performance of wavelength-shifting coatings of the type envisioned for the LBNE experiment can be improved by 10-20%, with significantly delayed UV degradation, by using a 20% admixture of 4-tert-Butylcatechol.
C1 [Jones, B. J. P.; Conrad, J. M.] MIT, Cambridge, MA 02139 USA.
[VanGemert, J. K.; Pla-Dalmau, A.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Jones, BJP (reprint author), MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
EM bjpjones@mit.edu
FU National Science Foundation [NSF-PHY-084784]; Department Of Energy
[DE-FG02-91ER40661]; Fermi National Accelerator Laboratory; United
States Department of Energy [De-AC02-07CH11359]
FX We would like to thank Christie Chiu for her help in performing
preliminary studies related to this paper. The authors thank the
National Science Foundation (NSF-PHY-084784) and Department Of Energy
(DE-FG02-91ER40661). This work was supported by the Fermi National
Accelerator Laboratory, which is operated by the Fermi Research
Alliance, LLC under Contract No. De-AC02-07CH11359 with the United
States Department of Energy.
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PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 1748-0221
J9 J INSTRUM
JI J. Instrum.
PD JAN
PY 2013
VL 8
AR P01013
DI 10.1088/1748-0221/8/01/P01013
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SC Instruments & Instrumentation
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UT WOS:000320665400070
ER
PT J
AU Mekkaoui, A
Garcia-Sciveres, M
Gnani, D
AF Mekkaoui, A.
Garcia-Sciveres, M.
Gnani, D.
TI Results of 65 nm pixel readout chip demonstrator array
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article; Proceedings Paper
CT Topical Workshop on Electronics for Particle Physics
CY SEP 17-21, 2012
CL Oxford, ENGLAND
SP US Dept Engergy, U S Natl Sci Fdn, U K Sci and Technol Facilities Council
DE Analogue electronic circuits; Radiation-hard electronics; Front-end
electronics for detector readout; VLSI circuits
AB Complex and challenging instrumentation projects (LHC upgrades, HL LHC, new Detector concepts) will require the adoption of ever more empowering and complex IC technologies. We clearly see that by moving only two nodes from the current 130 nm CMOS to 65 nm, substantial processing power could be embedded in the front-end system. We have designed and fabricated a prototype pixel readout chip to explore 65 nm CMOS as a potential integrated circuit technology for future particle physics applications. Not only the reported functional test results are very encouraging, but we also found that the process is fundamentally tolerant to radiation doses higher than 600 Mrad.
C1 [Mekkaoui, A.; Garcia-Sciveres, M.; Gnani, D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Mekkaoui, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd Mail Stop 50A6134, Berkeley, CA 94720 USA.
EM amekkaoui@lbl.gov
RI Gnani, Dario/J-6426-2012
OI Gnani, Dario/0000-0003-0464-9176
NR 2
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PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 1748-0221
J9 J INSTRUM
JI J. Instrum.
PD JAN
PY 2013
VL 8
AR C01055
DI 10.1088/1748-0221/8/01/C01055
PG 7
WC Instruments & Instrumentation
SC Instruments & Instrumentation
GA 167WF
UT WOS:000320665400055
ER
PT J
AU Wu, J
AF Wu, J.
TI A digitization scheme of sub-microampere current using a commercial
comparator with hysteresis and FPGA-based wave union TDC
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article; Proceedings Paper
CT Topical Workshop on Electronics for Particle Physics
CY SEP 17-21, 2012
CL Oxford, ENGLAND
SP US Dept Engergy, U S Natl Sci Fdn, U K Sci and Technol Facilities Council
DE Front-end electronics for detector readout; Digital electronic circuits
ID READOUT; SENSOR; ADC
AB A digitization scheme of sub-microampere current using a commercial comparator with adjustable hysteresis and FPGA-based Wave Union TDC has been tested. The comparator plus a few passive components forms a current controlled oscillator and the input current is sent into the hysteresis control pin. The input current is converted into the transition times of the oscillations, which are digitized with a Wave Union TDC in FPGA and the variation of the transition times reflects the variation of the input current. Preliminary tests show that input charges <25 fC can be measured at > 50M samples/s without a preamplifier.
C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Wu, J (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
EM jywu168@fnal.gov
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PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 1748-0221
J9 J INSTRUM
JI J. Instrum.
PD JAN
PY 2013
VL 8
AR C01019
DI 10.1088/1748-0221/8/01/C01019
PG 9
WC Instruments & Instrumentation
SC Instruments & Instrumentation
GA 167WF
UT WOS:000320665400019
ER
PT J
AU Yarema, R
Deptuch, G
Hoff, J
Khalid, F
Lipton, R
Shenai, A
Trimpl, M
Zimmerman, T
AF Yarema, R.
Deptuch, G.
Hoff, J.
Khalid, F.
Lipton, R.
Shenai, A.
Trimpl, M.
Zimmerman, T.
TI Vertically integrated circuit development at Fermilab for detectors
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article; Proceedings Paper
CT Topical Workshop on Electronics for Particle Physics
CY SEP 17-21, 2012
CL Oxford, ENGLAND
SP US Dept Engergy, U S Natl Sci Fdn, U K Sci and Technol Facilities Council
DE VLSI circuits; Electronic detector readout concepts (solid-state);
Front-end electronics for detector readout
AB Today vertically integrated circuits, (a.k.a. 3D integrated circuits) is a popular topic in many trade journals. The many advantages of these circuits have been described such as higher speed due to shorter trace lenghts, the ability to reduce cross talk by placing analog and digital circuits on different levels, higher circuit density without the going to smaller feature sizes, lower interconnect capacitance leading to lower power, reduced chip size, and different processing for the various layers to optimize performance. There are some added advantages specifically for MAPS (Monolithic Active Pixel Sensors) in High Energy Physics: four side buttable pixel arrays, 100% diode fill factor, the ability to move PMOS transistors out of the diode sensing layer, and a increase in channel density.
Fermilab began investigating 3D circuits in 2006. Many different bonding processes have been described for fabricating 3D circuits [1]. Fermilab has used three different processes to fabricate several circuits for specific applications in High Energy Physics and X-ray imaging. This paper covers some of the early 3D work at Fermilab and then moves to more recent activities. The major processes we have used are discussed and some of the problems encountered are described. An overview of pertinent 3D circuit designs is presented along with test results thus far.
C1 [Yarema, R.; Deptuch, G.; Hoff, J.; Khalid, F.; Lipton, R.; Shenai, A.; Trimpl, M.; Zimmerman, T.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Yarema, R (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
EM yarema@fnal.gov
NR 9
TC 2
Z9 2
U1 0
U2 7
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 1748-0221
J9 J INSTRUM
JI J. Instrum.
PD JAN
PY 2013
VL 8
AR C01052
DI 10.1088/1748-0221/8/01/C01052
PG 11
WC Instruments & Instrumentation
SC Instruments & Instrumentation
GA 167WF
UT WOS:000320665400052
ER
PT J
AU Ramezanipour, F
Shishkin, M
Singh, K
Hodges, JP
Ziegler, T
Thangadurai, V
AF Ramezanipour, Farshid
Shishkin, Maxim
Singh, Kalpana
Hodges, Jason P.
Ziegler, Tom
Thangadurai, Venkataraman
TI Interstitial oxygens and cation deficiency in Mo-doped ceria, an anode
material for SOFCs
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID OXIDE FUEL-CELLS; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD;
ELECTRICAL-PROPERTIES; TRANSPORT MECHANISMS; IONIC CONDUCTORS; DEFECT
STRUCTURE; BASIS-SET; ELECTROLYTES; GADOLINIUM
AB Density functional theory studies show that it is energetically possible for oxygen atoms to reside on the interstitial sites in Mo-doped ceria. This is also studied experimentally using neutron diffraction experiments that show small concentration of oxygens on two intestinal sites, as well as cation deficiency in the Ce1-xMoxO2+delta (x similar to 0.07) lattice.
C1 [Ramezanipour, Farshid; Shishkin, Maxim; Singh, Kalpana; Ziegler, Tom; Thangadurai, Venkataraman] Univ Calgary, Dept Chem, Calgary, AB T2N 1N4, Canada.
[Hodges, Jason P.] Oak Ridge Natl Lab, Instrument & Source Design Div, Oak Ridge, TN 37831 USA.
RP Thangadurai, V (reprint author), Univ Calgary, Dept Chem, 2500 Univ Dr NW, Calgary, AB T2N 1N4, Canada.
EM vthangad@ucalgary.ca
RI Shishkin, Maxim/I-3308-2013; Hodges, Jason/K-1421-2013
FU Natural Science and Engineering Research Council (NSERC); Scientific
User Facilities Division, Office of Basic Energy Sciences, U. S.
Department of Energy [DEAC05-00OR22725]; UT-Battelle, LLC
FX One of us (V. T.) thanks the Natural Science and Engineering Research
Council (NSERC) for funding through the Discovery Grants to support his
research program on novel solid electrolytes for solid state ionic
devices, including solid oxide fuel cells and solid state Li ion
batteries. The authors also thank Oak Ridge National Laboratory's (ORNL)
Spallation Neutron Source (SNS) which is sponsored by the Scientific
User Facilities Division, Office of Basic Energy Sciences, U. S.
Department of Energy under contract DEAC05-00OR22725 with UT-Battelle,
LLC.
NR 36
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U1 0
U2 16
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 29
BP 8344
EP 8347
DI 10.1039/c3ta11464c
PG 4
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 176NA
UT WOS:000321310200005
ER
PT J
AU Huda, MN
Deutsch, TG
Sarker, P
Turner, JA
AF Huda, Muhammad N.
Deutsch, Todd G.
Sarker, Pranab
Turner, John A.
TI Electronic structure study of N, O related defects in GaP for
photoelectrochemical applications
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; HYDROGEN GENERATION;
GALLIUM-PHOSPHIDE; BASIS-SET; WATER; RESONANCE; ALLOYS; OXIDE; BAND
AB It is known that the stability of GaP as a photocatalyst in electrolytes can be enhanced by nitrogen doping, GaP:N. However, both GaP (indirect gap) and GaP:N (direct gap) have poor optical absorption properties across their fundamental band gap. To enhance optical absorption as well as the photocurrent, we have examined by density functional theory the favorability of oxygen and hydrogen impurities in conjunction with N doping in bulk GaP. It has been found here that O-related defects are more favorable, whereas H with N substitution is not very favorable. These O-N related defects create a global effect in the GaP lattice by both volume and band gap reduction. Enhancement of optical absorption was also found due to these types of complex doping.
C1 [Huda, Muhammad N.; Sarker, Pranab] Univ Texas Arlington, Dept Phys, Arlington, TX 76019 USA.
[Deutsch, Todd G.; Turner, John A.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Huda, MN (reprint author), Univ Texas Arlington, Dept Phys, POB 19059, Arlington, TX 76019 USA.
EM huda@uta.edu
RI Huda, Muhammad/C-1193-2008;
OI Huda, Muhammad/0000-0002-2655-498X; Deutsch, Todd/0000-0001-6577-1226
FU National Renewable Energy Laboratory [XEJ-9-99042-01]; U.S. Department
of Energy Fuel Cell Technologies Office [DE-AC36-08-G028303]
FX MNH was supported by National Renewable Energy Laboratory sub-contract
no. XEJ-9-99042-01. TGD and JAT were supported by the U.S. Department of
Energy Fuel Cell Technologies Office under Contract no.
DE-AC36-08-G028303 with the National Renewable Energy Laboratory.
NR 29
TC 0
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U1 4
U2 38
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 29
BP 8425
EP 8431
DI 10.1039/c3ta11475a
PG 7
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 176NA
UT WOS:000321310200017
ER
PT J
AU Zheng, JM
Gu, M
Chen, HH
Meduri, P
Engelhard, MH
Zhang, JG
Liu, J
Xiao, J
AF Zheng, Jianming
Gu, Meng
Chen, Honghao
Meduri, Praveen
Engelhard, Mark H.
Zhang, Ji-Guang
Liu, Jun
Xiao, Jie
TI Ionic liquid-enhanced solid state electrolyte interface (SEI) for
lithium-sulfur batteries
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID ELECTROCHEMICAL PERFORMANCE; CARBON COMPOSITES; CATHODE; SURFACE; CELLS;
EFFICIENCY; SALTS
AB Li-S batteries are a complicated system with many challenges existing before their final market penetration. While most of the reported work for Li-S batteries is focused on the cathode design, we demonstrate in this work that the anode consumption accelerated by corrosive polysulfide solution also critically determines the Li-S cell performance. To validate this hypothesis, ionic liquid (IL) N-methyl-N-butylpyrrolidinium bis(trifluoromethylsulfonyl)imide (Py14TFSI) has been employed to modify the properties of the SEI layer formed on the Li metal surface in Li-S batteries. It is found that the IL-enhanced passivation film on the lithium anode surface exhibits very different morphology and chemical composition, effectively protecting lithium metal from continuous attack by soluble polysulfides. Therefore, both the cell impedance and the irreversible consumption of polysulfides on lithium metal are reduced. As a result, the Coulombic efficiency and the cycling stability of Li-S batteries have been greatly improved. After 120 cycles, the Li-S battery cycled in the electrolyte containing 75% IL demonstrates a high capacity retention of 94.3% at 0.1 C rate. These results reveal one of the main failure mechanisms in Li-S batteries and shine the light on new approaches to improve the reversible capacity and cyclability of Li-S batteries. This work provides important clues for the understanding and thus the improvement of Li-S battery systems through a different point of view.
C1 [Zheng, Jianming; Gu, Meng; Chen, Honghao; Meduri, Praveen; Engelhard, Mark H.; Zhang, Ji-Guang; Liu, Jun; Xiao, Jie] Pacific NW Natl Lab, Richland, WA 99354 USA.
RP Xiao, J (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA.
EM jie.xiao@pnnl.gov
RI Gu, Meng/B-8258-2013; Zheng, Jianming/F-2517-2014;
OI Zheng, Jianming/0000-0002-4928-8194; Engelhard, Mark/0000-0002-5543-0812
FU Department of Energy's Office of Biological and Environmental Research;
DOE by Battelle [DE-AC05-76RL01830]; Office of Vehicle Technologies of
the U.S. Department of Energy
FX This work is supported by the Assistant Secretary for Energy Efficiency
and Renewable Energy, Office of Vehicle Technologies of the U.S.
Department of Energy. The SEM and XPS were conducted at the
Environmental and Molecular Sciences Laboratory, a national scientific
user facility sponsored by the Department of Energy's Office of
Biological and Environmental Research and located at Pacific Northwest
National Laboratory. PNNL is a multi-program national laboratory
operated for DOE by Battelle under Contract DE-AC05-76RL01830.
NR 28
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U1 31
U2 182
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 29
BP 8464
EP 8470
DI 10.1039/c3ta11553d
PG 7
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 176NA
UT WOS:000321310200022
ER
PT J
AU Woo, JJ
Zhang, ZC
Rago, NLD
Lu, WQ
Amine, K
AF Woo, Jung-Je
Zhang, Zhengcheng
Rago, Nancy L. Dietz
Lu, Wenquan
Amine, Khalil
TI A high performance separator with improved thermal stability for Li-ion
batteries
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
AB A thermally stable separator based on a poly( phenylene oxide)/SiO2 composite is prepared using a dry phase inversion method. The separator endures up to 250 degrees C without obvious thermal deformation. A LiNi1/3Mn1/3Co1/3O2/graphite cell using the composite separator showed excellent cycling performance, especially at high C-rates.
C1 [Woo, Jung-Je; Zhang, Zhengcheng; Rago, Nancy L. Dietz; Lu, Wenquan; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Zhang, ZC (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM zzhang@anl.gov
RI Amine, Khalil/K-9344-2013
FU Vehicle Technology Program, Integrated Laboratory/Industry Research
Project (ILIRP); Department of Energy; U. S. Department of Energy Office
of Science Laboratory [DE-AC02-06CH11357]
FX This work was supported by the Vehicle Technology Program, Integrated
Laboratory/Industry Research Project (ILIRP) and Department of Energy.
Argonne National Laboratory, a U. S. Department of Energy Office of
Science Laboratory, is operated under Contract no. DE-AC02-06CH11357.
NR 20
TC 6
Z9 9
U1 5
U2 35
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 30
BP 8538
EP 8540
DI 10.1039/c3ta12154b
PG 3
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 180TV
UT WOS:000321622300006
ER
PT J
AU Qiao, L
Xiao, HY
Heald, SM
Bowden, ME
Varga, T
Exarhos, GJ
Biegalski, MD
Ivanov, IN
Weber, WJ
Droubay, TC
Chambers, SA
AF Qiao, L.
Xiao, H. Y.
Heald, S. M.
Bowden, M. E.
Varga, T.
Exarhos, G. J.
Biegalski, M. D.
Ivanov, I. N.
Weber, W. J.
Droubay, T. C.
Chambers, S. A.
TI The impact of crystal symmetry on the electronic structure and
functional properties of complex lanthanum chromium oxides
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID RAY-ABSORPTION SPECTRA; PRE-EDGE; K-EDGE; TRANSITION; PEROVSKITE;
HETEROSTRUCTURES; HETEROJUNCTIONS; LEVEL; FILMS
AB Complex oxides exhibit a wide range of crystal structures, chemical compositions and physical properties. The underlying drivers determining the complicated structure-composition-property phase diagrams are the relative positions and orbital overlaps between the metal cations and the oxygen anions. Here we report a combined experimental and theoretical investigation of the structure and bonding in a series of lanthanum chromium oxides prepared by molecular beam epitaxy. Of particular interest is the charge state and local coordination of the Cr. We have stabilized LaCrO3, LaCrO4 and La2CrO6 films by controlling the three elemental fluxes during deposition, and have carried out X-ray diffraction, X-ray photoemission, and X-ray absorption spectroscopy, as well as first-principles calculations, to determine structure, charge state, chemical bonding, and electronic structure. Significant changes in bonding character and orbital interaction are revealed with decreasing ligand symmetry from octahedral to tetrahedral Cr coordination. Both LaCrO4 and La2CrO6 with tetrahedrally coordinated Cr show strong pre-edge features in the Cr K-edge near-edge structure whereas LaCrO3 with octahedrally coordinated Cr exhibits very weak pre-edge features. The origin of these pre-edge features is discussed based on various selection rules and ligand symmetry. We also demonstrate an increase in cation-anion orbital hybridization and a decrease in long-range ligand coupling induced by this symmetry reduction. These in turn result in dramatic modifications of the macroscopic optical and magnetic properties.
C1 [Qiao, L.; Exarhos, G. J.; Droubay, T. C.; Chambers, S. A.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA.
[Qiao, L.; Biegalski, M. D.; Ivanov, I. N.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN USA.
[Xiao, H. Y.; Weber, W. J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Heald, S. M.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Bowden, M. E.; Varga, T.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
RP Qiao, L (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA.
EM sa.chambers@pnnl.gov
RI Qiao, Liang/A-8165-2012; Weber, William/A-4177-2008; ivanov,
ilia/D-3402-2015; Droubay, Tim/D-5395-2016
OI Weber, William/0000-0002-9017-7365; ivanov, ilia/0000-0002-6726-2502;
Droubay, Tim/0000-0002-8821-0322
FU U.S. Department of Energy, Office of Science, Division of Materials
Sciences and Engineering [10122]; Division of Chemical Sciences [48526];
Department of Energy's Office of Biological and Environmental Research
and located at Pacific Northwest National Laboratory; Oak Ridge National
Laboratory by the Scientific User Facilities Division, Office of Basic
Energy Sciences, U.S. Department of Energy; US DOE [DE-AC02-06CH11357];
U.S. Department of Energy, Office of Science, Basic Energy Science,
Materials Sciences and Engineering Division; National Natural Science
Foundation of China [11004023]
FX This work was supported by the U.S. Department of Energy, Office of
Science, Division of Materials Sciences and Engineering under Award
#10122, and Division of Chemical Sciences under Award #48526. The work
was performed in the Environmental Molecular Sciences Laboratory, a
national science user facility sponsored by the Department of Energy's
Office of Biological and Environmental Research and located at Pacific
Northwest National Laboratory. A portion of 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.
Use of the Advanced Photon Source, an Office of Science User Facility
operated for the US DOE Office of Science by Argonne National
Laboratory, was supported by the US DOE under Contract no.
DE-AC02-06CH11357. H. Y. Xiao and W. J. Weber were supported by the U.S.
Department of Energy, Office of Science, Basic Energy Science, Materials
Sciences and Engineering Division. H. Y. Xiao also acknowledges the
partial support of the National Natural Science Foundation of China
(Grant no. 11004023). The theoretical calculations were performed using
the supercomputer resources at the Environmental Molecular Sciences
Laboratory (EMSL) located at the Pacific Northwest National Laboratory.
NR 66
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U1 3
U2 59
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7526
J9 J MATER CHEM C
JI J. Mater. Chem. C
PY 2013
VL 1
IS 30
BP 4527
EP 4535
DI 10.1039/c3tc30883a
PG 9
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA 181JO
UT WOS:000321664100003
ER
PT S
AU Gecys, P
Markauskas, E
Raciukaitis, G
Repins, I
Beall, C
AF Gecys, P.
Markauskas, E.
Raciukaitis, G.
Repins, I.
Beall, C.
BE Emmelmann, C
Zaeh, MF
Graf, T
Schmidt, M
TI Selective front side patterning of CZTS thin-film solar cells by
picosecond laser induced material lift-off process
SO LASERS IN MANUFACTURING (LIM 2013)
SE Physics Procedia
LA English
DT Proceedings Paper
CT 7th International WLT Conference on Lasers in Manufacturing (LiM)
CY MAY 13-16, 2013
CL Munich, GERMANY
SP German Sci Laser Soc (WLT), Hamburg Univ Technol (TUHH), Inst Laser & Syst Technologies (ILAS), Ruhr Univ Bochum (RUB), Appl Laser Technol (LAT), Tech Univ Hamburg Harburg (TUHH), Ruhr Univ Bochum (RUB)
DE CZTS; thin-film; picosecond laser scribing; material lift-off
AB The thin-film Cu-chalcopyrite based solar cell technologies become more attractive due to their lower cost and optimal performance. Efficiency of cells with a large area might be maintained if small segments are interconnected in series in order to reduce photocurrent in thin films and resistance losses, and laser scribing is crucial for performance of the device. We present our results on the material lift-off effect investigations in the CZTS thin-film solar cell structures which can be applied for the damage-free front-side scribing processes. The results of the P2 and P3 type scribe formation with the fundamental harmonics of a picosecond laser are presented. (C) 2013 The Authors. Published by Elsevier B.V.
C1 [Gecys, P.; Markauskas, E.; Raciukaitis, G.] Ctr Phys Sci & Technol, Savanoriu Ave 231, LT-2300 Vilnius, Lithuania.
[Repins, I.; Beall, C.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Gecys, P (reprint author), Ctr Phys Sci & Technol, Savanoriu Ave 231, LT-2300 Vilnius, Lithuania.
EM p.gecys@ar.fi.lt
FU National Programme "An improvement of the skills of researchers";
Lithuanian Ministry of Education and Science
FX The work was carried out within the project VP1-3.1-g MM-08-K-01-009
that is partly supported by the National Programme "An improvement of
the skills of researchers" launched by the Lithuanian Ministry of
Education and Science.
NR 7
TC 1
Z9 1
U1 1
U2 13
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1875-3892
J9 PHYSCS PROC
PY 2013
VL 41
BP 734
EP 738
DI 10.1016/j.phpro.2013.03.142
PG 5
WC Engineering, Manufacturing; Physics, Applied
SC Engineering; Physics
GA BFR27
UT WOS:000321039300099
ER
PT J
AU Zhang, HZ
Finnegan, MP
Banfield, JF
AF Zhang, Hengzhong
Finnegan, Michael P.
Banfield, Jillian F.
TI Titania nanorods curve to lower their energy
SO NANOSCALE
LA English
DT Article
ID NANOCRYSTALLINE TITANIA; ORIENTED ATTACHMENT; PHASE-STABILITY;
CRYSTAL-GROWTH; TIO2; INSIGHTS; ANATASE; RUTILE; BEHAVIOR
AB Spontaneous formation of curved nanorods is generally unexpected, since curvature introduces strain energy. However, electron microscopy shows that under hydrothermal conditions, some nanorods grown by oriented attachment of small anatase particles on {101} surfaces are curved and dislocation free. Molecular dynamics simulations show that the lattice energy of a curved anatase rod is actually lower than that of a linear rod due to more attractive long-range interatomic Coulombic interactions among atoms in the curved rod. The thermodynamic driving force stemming from lattice energy could be harnessed to produce asymmetric morphologies unexpected from classical Ostwald ripening with unusual shapes and properties.
C1 [Zhang, Hengzhong; Finnegan, Michael P.; Banfield, Jillian F.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.
[Banfield, Jillian F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Zhang, HZ (reprint author), Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.
EM heng@eps.berkeley.edu; jban.eld@berkeley.edu
FU National Science Foundation [CHE-1213835, EAR-0920921]; U.S. Department
of Energy [DE-AC02-05CH11231]
FX The TEM work was performed in the National Center for Electron
Microscopy, Lawrence Berkeley National Laboratory. This research was
supported by the National Science Foundation (Grant nos CHE-1213835 and
EAR-0920921) and U.S. Department of Energy (Grant no.
DE-AC02-05CH11231).
NR 25
TC 6
Z9 6
U1 1
U2 28
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
J9 NANOSCALE
JI Nanoscale
PY 2013
VL 5
IS 15
BP 6742
EP 6746
DI 10.1039/c3nr02616g
PG 5
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA 181NY
UT WOS:000321675600013
PM 23794056
ER
PT J
AU Azoz, S
Jiang, J
Keskar, G
McEnally, C
Alkas, A
Ren, F
Marinkovic, N
Haller, GL
Ismail-Beigi, S
Pfefferle, LD
AF Azoz, Seyla
Jiang, Jie
Keskar, Gayatri
McEnally, Charles
Alkas, Alp
Ren, Fang
Marinkovic, Nebojsa
Haller, Gary L.
Ismail-Beigi, Sohrab
Pfefferle, Lisa D.
TI Mechanism for strong binding of CdSe quantum dots to multiwall carbon
nanotubes for solar energy harvesting
SO NANOSCALE
LA English
DT Article
ID PHOTOINDUCED CHARGE-TRANSFER; SHAPE CONTROL; NANOCRYSTALS; CELLS;
ATTACHMENT; POLYMER; NANOPARTICLES; ASSEMBLIES; EFFICIENCY; DEFECTS
AB As hybrid nanomaterials have myriad of applications in modern technology, different functionalization strategies are being intensely sought for preparing nanocomposites with tunable properties and structures. Multi-Walled Carbon Nanotube (MWNT)/CdSe Quantum Dot (QD) heterostructures serve as an important example for an active component of solar cells. The attachment mechanism of CdSe QDs and MWNTs is known to affect the charge transfer between them and consequently to alter the efficiency of solar cell devices. In this study, we present a novel method that enables the exchange of some of the organic capping agents on the QDs with carboxyl functionalized MWNTs upon ultrasonication. This produces a ligand-free covalent attachment of the QDs to the MWNTs. EXAFS characterization reveals direct bond formation between the CdSe QDs and the MWNTs. The amount of oleic acid exchanged is quantified by temperature-programmed decomposition; the results indicate that roughly half of the oleic acid is removed from the QDs upon functionalized MWNT addition. Additionally, we characterize the optical and structural properties of the QD-MWNT heterostructures and investigate how these properties are affected by the attachment. The steady state photoluminescence response of QDs is completely quenched. The lifetime of the PL of the QDs measured with time resolved photoluminescence shows a significant decrease after they are covalently bonded to functionalized MWNTs, suggesting a fast charge transfer between QDs and MWNTs. Our theoretical calculations are consistent with and support these experimental findings and provide microscopic models for the QD binding mechanisms.
C1 [Azoz, Seyla; Keskar, Gayatri; McEnally, Charles; Ren, Fang; Haller, Gary L.; Pfefferle, Lisa D.] Yale Univ, Mason Lab, New Haven, CT 06520 USA.
[Jiang, Jie; Ismail-Beigi, Sohrab] Yale Univ, Dept Appl Phys, New Haven, CT 06520 USA.
[Alkas, Alp] European Retail Capital Markets Jones Lang LaSall, London W1B 5NH, England.
[Marinkovic, Nebojsa] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA.
RP Pfefferle, LD (reprint author), Yale Univ, Mason Lab, 9 Hillhouse Ave, New Haven, CT 06520 USA.
EM alp.alkas@eu.jll.com; lisa.pfefferle@yale.edu
RI Ismail-Beigi, Sohrab/F-2382-2014; Marinkovic, Nebojsa/A-1137-2016;
McEnally, Charles/N-9999-2016
OI Ismail-Beigi, Sohrab/0000-0002-7331-9624; Marinkovic,
Nebojsa/0000-0003-3579-3453; McEnally, Charles/0000-0002-6820-921X
FU NSF [DMR-0934520 Solar]
FX The authors gratefully acknowledge financial support from NSF
DMR-0934520 Solar. We thank the NSLS beam lines X18B, U4B and U7A at
Brookhaven National Laboratory for use of their facilities and
acknowledge Dr Cherno Jaye and Dr Dario Arena for their support in
collecting the NEXAFS data. We acknowledge Dr Stephen Golledge, and Dr
Abhinav Nath for their contribution towards the work.
NR 39
TC 11
Z9 12
U1 2
U2 58
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
J9 NANOSCALE
JI Nanoscale
PY 2013
VL 5
IS 15
BP 6893
EP 6900
DI 10.1039/c3nr00928a
PG 8
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA 181NY
UT WOS:000321675600033
PM 23783269
ER
PT J
AU Wang, CJ
Ranasingha, O
Natesakhawat, S
Ohodnicki, PR
Andio, M
Lewis, JP
Matranga, C
AF Wang, Congjun
Ranasingha, Oshadha
Natesakhawat, Sittichai
Ohodnicki, Paul R., Jr.
Andio, Mark
Lewis, James P.
Matranga, Christopher
TI Visible light plasmonic heating of Au-ZnO for the catalytic reduction of
CO2
SO NANOSCALE
LA English
DT Article
ID CHEMICAL-VAPOR-DEPOSITION; METAL NANOPARTICLES; OXIDE NANOCRYSTALS;
CHARGE-CARRIERS; GOLD; SURFACE; WATER; NANOSTRUCTURES; ABSORPTION;
OXIDATION
AB Plasmonic excitation of Au nanoparticles attached to the surface of ZnO catalysts using low power 532 nm laser illumination leads to significant heating of the catalyst and the conversion of CO2 and H-2 reactants to CH4 and CO products. Temperature-calibrated Raman spectra of ZnO phonons show that intensity-dependent plasmonic excitation can controllably heat Au-ZnO from 30 to similar to 600 degrees C and simultaneously tune the CH4 : CO product ratio. The laser induced heating and resulting CH4 : CO product distribution agrees well with predictions from thermodynamic models and temperature-programmed reaction experiments indicating that the reaction is a thermally driven process resulting from the plasmonic heating of the Au-ZnO. The apparent quantum yield for CO2 conversion under continuous wave (cw) 532 nm laser illumination is 0.030%. The Au-ZnO catalysts are robust and remain active after repeated laser exposure and cycling. The light intensity required to initiate CO2 reduction is low (similar to 2.5 x 10(5) W m(-2)) and achievable with solar concentrators. Our results illustrate the viability of plasmonic heating approaches for CO2 utilization and other practical thermal catalytic applications.
C1 [Wang, Congjun; Ranasingha, Oshadha; Natesakhawat, Sittichai; Ohodnicki, Paul R., Jr.; Andio, Mark; Lewis, James P.; Matranga, Christopher] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[Wang, Congjun] URS Corp, South Pk, PA 15129 USA.
[Ranasingha, Oshadha; Lewis, James P.] W Virginia Univ, Dept Phys, Morgantown, WV 26506 USA.
[Natesakhawat, Sittichai] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA.
RP Wang, CJ (reprint author), US DOE, Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA.
EM congjun.wang@netl.doe.gov
RI Matranga, Christopher/E-4741-2015
OI Matranga, Christopher/0000-0001-7082-5938
FU National Energy Technology Laboratory under the RES [DE-FE0004000];
Department of Energy, National Energy Technology Laboratory, an agency
of the United States Government; URS Energy & Construction, Inc.
FX This technical effort was performed in support of the National Energy
Technology Laboratory's ongoing research into CO2 capture
under the RES contract DE-FE0004000. We thank Dr Phuoc Tran for
assistance with the pulsed laser experiment and Dr Junseok Lee for
stimulating discussions. This project was funded by the Department of
Energy, National Energy Technology Laboratory, an agency of the United
States Government, through a support contract with URS Energy &
Construction, Inc. Neither the United States Government nor any agency
thereof, nor any of their employees, nor URS Energy & Construction,
Inc., nor any of their employees, makes any warranty, expressed or
implied, or assumes any legal liability or responsibility for the
accuracy, completeness, or usefulness of any information, apparatus,
product, or process disclosed, or represents that its use would not
infringe privately owned rights. Reference herein to any specific
commercial product, process, or service by trade name, trademark,
manufacturer, or otherwise, does not necessarily constitute or imply its
endorsement, recommendation, or favoring by the United States Government
or any agency thereof. The views and opinions of authors expressed
herein do not necessarily state or reflect those of the United States
Government or any agency thereof.
NR 50
TC 40
Z9 40
U1 10
U2 134
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
J9 NANOSCALE
JI Nanoscale
PY 2013
VL 5
IS 15
BP 6968
EP 6974
DI 10.1039/c3nr02001k
PG 7
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA 181NY
UT WOS:000321675600043
PM 23794025
ER
PT J
AU Duffey, KC
Shih, O
Wong, NL
Drisdell, WS
Saykally, RJ
Cohen, RC
AF Duffey, Kaitlin C.
Shih, Orion
Wong, Nolan L.
Drisdell, Walter S.
Saykally, Richard J.
Cohen, Ronald C.
TI Evaporation kinetics of aqueous acetic acid droplets: effects of soluble
organic aerosol components on the mechanism of water evaporation
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID MASS ACCOMMODATION COEFFICIENT; MOLECULAR-DYNAMICS SIMULATIONS;
SUM-FREQUENCY SPECTROSCOPY; LIQUID-GAS INTERFACE; CONDENSATION
COEFFICIENT; ATMOSPHERIC PARTICLES; AIR/WATER INTERFACE;
CARBOXYLIC-ACIDS; GROWTH-KINETICS; CLOUD DROPLETS
AB The presence of organic surfactants in atmospheric aerosol may lead to a depression of cloud droplet growth and evaporation rates affecting the radiative properties and lifetime of clouds. Both the magnitude and mechanism of this effect, however, remain poorly constrained. We have used Raman thermometry measurements of freely evaporating micro-droplets to determine evaporation coefficients for several concentrations of acetic acid, which is ubiquitous in atmospheric aerosol and has been shown to adsorb strongly to the air-water interface. We find no suppression of the evaporation kinetics over the concentration range studied (1-5 M). The evaporation coefficient determined for 2 M acetic acid is 0.53 +/- 0.12, indistinguishable from that of pure water (0.62 +/- 0.09).
C1 [Duffey, Kaitlin C.; Shih, Orion; Wong, Nolan L.; Saykally, Richard J.; Cohen, Ronald C.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Duffey, Kaitlin C.; Shih, Orion; Saykally, Richard J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Drisdell, Walter S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Cohen, Ronald C.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.
RP Saykally, RJ (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM saykally@berkeley.edu; rccohen@berkeley.edu
RI Cohen, Ronald/A-8842-2011
OI Cohen, Ronald/0000-0001-6617-7691
FU National Science Foundation [ATM 0639847]; Office of Science, Office of
Basic Energy Sciences, of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX The authors thank Dr. Patrick Varilly for insightful discussions about
evaporation and for his input regarding our temperature calibrations and
cooling model. We also thank Frank Liu and Michael Angell for their
assistance in collecting data. This work was supported by National
Science Foundation Grant ATM 0639847 and the Director, Office of
Science, Office of Basic Energy Sciences, of the U.S. Department of
Energy under Contract DE-AC02-05CH11231.
NR 48
TC 10
Z9 10
U1 4
U2 60
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 28
BP 11634
EP 11639
DI 10.1039/c3cp51148k
PG 6
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 175AN
UT WOS:000321201500006
PM 23677455
ER
PT J
AU Sharma, K
Bilheux, HZ
Walker, LMH
Voisin, S
Mayes, RT
Kiggans, JO
Yiacoumi, S
DePaoli, DW
Dai, S
Tsouris, C
AF Sharma, Ketki
Bilheux, Hassina Z.
Walker, Lakeisha M. H.
Voisin, Sophie
Mayes, Richard T.
Kiggans, Jim O., Jr.
Yiacoumi, Sotira
DePaoli, David W.
Dai, Sheng
Tsouris, Costas
TI Neutron imaging of ion transport in mesoporous carbon materials
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID COMPOSITE FILM ELECTRODES; PEM FUEL-CELLS; CAPACITIVE DEIONIZATION;
WATER DISTRIBUTION; LIQUID WATER; LITHIUM BATTERIES; AQUEOUS-SOLUTIONS;
ROOT-GROWTH; ELECTROSORPTION; RADIOGRAPHY
AB Neutron imaging is presented as a tool for quantifying the diffusion of ions inside porous materials, such as carbon electrodes used in the desalination process via capacitive deionization and in electro-chemical energy-storage devices. Monolithic mesoporous carbon electrodes of similar to 10 nm pore size were synthesized based on a soft-template method. The electrodes were used with an aqueous solution of gadolinium nitrate in an electrochemical flow-through cell designed for neutron imaging studies. Sequences of neutron images were obtained under various conditions of applied potential between the electrodes. The images revealed information on the direction and magnitude of ion transport within the electrodes. From the time-dependent concentration profiles inside the electrodes, the average value of the effective diffusion coefficient for gadolinium ions was estimated to be 2.09 +/- 0.17 x 10(-11) m(2) s(-1) at 0 V and 1.42 +/- 0.06 x 10(-10) m(2) s(-1) at 1.2 V. The values of the effective diffusion coefficient obtained from neutron imaging experiments can be used to evaluate model predictions of the ion transport rate in capacitive deionization and electrochemical energy-storage devices.
C1 [Sharma, Ketki; Yiacoumi, Sotira] Georgia Inst Technol, Atlanta, GA 30332 USA.
[Bilheux, Hassina Z.; Walker, Lakeisha M. H.; Voisin, Sophie; Mayes, Richard T.; Kiggans, Jim O., Jr.; DePaoli, David W.; Dai, Sheng; Tsouris, Costas] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Tsouris, C (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM tsourisc@ornl.gov
RI Bilheux, Hassina/H-4289-2012; Tsouris, Costas/C-2544-2016; Dai,
Sheng/K-8411-2015; Mayes, Richard/G-1499-2016; kiggans,
james/E-1588-2017;
OI Bilheux, Hassina/0000-0001-8574-2449; Tsouris,
Costas/0000-0002-0522-1027; Dai, Sheng/0000-0002-8046-3931; Mayes,
Richard/0000-0002-7457-3261; kiggans, james/0000-0001-5056-665X; Voisin,
Sophie/0000-0002-9726-4605
FU U.S. DOE Office of Energy Efficiency and Renewable Energy (EERE)
[DE-AC05-0096OR22725]; Oak Ridge National Laboratory; Scientific User
Facilities Division, Office of Basic Energy Sciences, U.S. Department of
Energy; Campbell Applied Physics, Inc.; National Science Foundation
[CBET-0651683]
FX This research was conducted at the Oak Ridge National Laboratory and
supported by the U.S. DOE Office of Energy Efficiency and Renewable
Energy (EERE), under Contract DE-AC05-0096OR22725 with Oak Ridge
National Laboratory, managed by UT-Battelle, LLC. A portion of this
research at Oak Ridge National Laboratory's High Flux Isotope Reactor
was sponsored by the Scientific User Facilities Division, Office of
Basic Energy Sciences, U.S. Department of Energy. Partial support to S.
Yiacoumi and K. Sharma was provided by Campbell Applied Physics, Inc.,
and the National Science Foundation under Grant No. CBET-0651683. The
authors are thankful to Charles R. Schaich for constructing the
flow-through neutron cell and Bob Campbell, Bill Bourcier, Tom Dorow,
Sunita Kaushik, and Fred Seamon of Campbell Applied Physics, Inc., for
frequent discussions on capacitive deionization.
NR 55
TC 8
Z9 8
U1 1
U2 57
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 28
BP 11740
EP 11747
DI 10.1039/c3cp51310f
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 175AN
UT WOS:000321201500019
PM 23756558
ER
PT J
AU Rodriguez, JA
Hanson, JC
Stacchiola, D
Senanayake, SD
AF Rodriguez, Jose A.
Hanson, Jonathan C.
Stacchiola, Dario
Senanayake, Sanjaya D.
TI In situ/operando studies for the production of hydrogen through the
water-gas shift on metal oxide catalysts
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID X-RAY-ABSORPTION; TIME-RESOLVED CHARACTERIZATION; LOW-TEMPERATURE;
HETEROGENEOUS CATALYSIS; SITU CHARACTERIZATION; PARTICLE-SIZE;
ACTIVE-SITE; CUO-CEO2 CATALYSTS; RAMAN-SPECTROSCOPY; REACTION-MECHANISM
AB In this perspective article, we show how a series of in situ techniques {X-ray diffraction (XRD), pair-distribution-function analysis (PDF), X-ray absorption fine structure (XAFS), environmental transmission electron microscopy (ETEM), infrared spectroscopy (IR), ambient-pressure X-ray photoelectron spectroscopy (AP-XPS)} can be combined to perform detailed studies of the structural, electronic and chemical properties of metal oxide catalysts used for the production of hydrogen through the water-gas shift reaction (WGS, CO + H2O -> H-2 + CO2). Under reaction conditions most WGS catalysts undergo chemical transformations that drastically modify their composition with respect to that obtained during the synthesis process. Experiments of time-resolved in situ XRD, XAFS, and PDF indicate that the active phase of catalysts which combine Cu, Au or Pt with oxides such as ZnO, CeO2, TiO2, CeOx/TiO2 and Fe2O3 essentially involves nanoparticles of the reduced noble metals. The oxide support undergoes partial reduction and is not a simple spectator, facilitating the dissociation of water and in some cases modifying the chemical properties of the supported metal. Therefore, to optimize the performance of these catalysts one must take into consideration the properties of the metal and oxide phases. IR and AP-XPS have been used to study the reaction mechanism for the WGS on metal oxide catalysts. Data of IR spectroscopy indicate that formate species are not necessarily involved in the main reaction path for the water-gas shift on Cu-, Au- and Pt-based catalysts. Thus, a pure redox mechanism or associative mechanisms that involve either carbonate-like (CO3, HCO3) or carboxyl (HOCO) species should be considered. In the last two decades, there have been tremendous advances in our ability to study catalytic materials under reaction conditions and we are moving towards the major goal of fully understanding how the active sites for the production of hydrogen through the WGS actually work.
C1 [Rodriguez, Jose A.; Hanson, Jonathan C.; Stacchiola, Dario; Senanayake, Sanjaya D.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Rodriguez, JA (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM rodrigez@bnl.gov
RI Stacchiola, Dario/B-1918-2009; Senanayake, Sanjaya/D-4769-2009
OI Stacchiola, Dario/0000-0001-5494-3205; Senanayake,
Sanjaya/0000-0003-3991-4232
FU US Department of Energy (DOE), Chemical Sciences Division
[DE-AC02-98CH10086]; Divisions of Materials and Chemical Sciences of
US-DOE
FX Many of the in situ studies described above were done in collaboration
with past and current members of the Catalysis Group at BNL. We are
grateful to all of them: X. Wang, W. Wen, L. Barrio, M. Estrella, G.
Zhou, R. Si and W. Xu. Our in situ work has benefited from
thought-provoking conversations with scientists studying different
aspects of the water-gas shift reaction: C. T. Campbell, J. Hrbek, P.
Liu, J. Evans, M. Fernandez-Garcia, A. Martinez-Arias, J. Graciani, J.
Fernandez-Sanz, F. Illas, J. Ciston, R. M. Navarro, J. L. G. Fierro, H.
Idriss and M. Flytzani-Stephanopoulos. The work at BNL was financed by
the US Department of Energy (DOE), Chemical Sciences Division
(DE-AC02-98CH10086). The National Synchrotron Light Source is supported
by the Divisions of Materials and Chemical Sciences of US-DOE.
NR 126
TC 37
Z9 37
U1 16
U2 228
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 29
BP 12004
EP 12025
DI 10.1039/c3cp50416f
PG 22
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 175ZB
UT WOS:000321271300003
PM 23660768
ER
PT J
AU Li, ZJ
Kay, BD
Dohnalek, Z
AF Li, Zhenjun
Kay, Bruce D.
Dohnalek, Zdenek
TI Dehydration and dehydrogenation of ethylene glycol on rutile TiO2(110)
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID O-H; ALIPHATIC-ALCOHOLS; MOLECULAR-OXYGEN; SURFACE SCIENCE; BOND
SCISSION; ADSORPTION; REACTIVITY; CHEMISTRY; DEFECTS; WATER
AB The interactions of ethylene glycol with a partially reduced rutile TiO2(110) surface have been studied using temperature programmed desorption (TPD). The saturation coverage on surface Ti rows is determined to be 0.43 monolayer (ML), slightly less than one ethylene glycol per two Ti sites. Most of the adsorbed ethylene glycol (similar to 80%) undergoes further reactions to yield other products. Two major channels are observed, dehydration yielding ethylene and water and dehydrogenation yielding acetaldehyde and hydrogen. Hydrogen formation is rather surprising as it has not been observed previously on TiO2(110) from simple organic molecules. The coverage dependent yields of ethylene and acetaldehyde correlate well with those of water and hydrogen, respectively. Dehydration dominates at lower ethylene glycol coverages (<0.2 ML) and plateaus as the coverage is increased to saturation. Dehydrogenation is observed primarily at higher ethylene glycol coverages (>0.2 ML). Our results suggest that the observed dehydration and dehydrogenation reactions proceed via different surface intermediates.
C1 [Kay, Bruce D.] Pacific NW Natl Lab, Phys Sci Directorate, Richland, WA 99352 USA.
Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA.
RP Kay, BD (reprint author), Pacific NW Natl Lab, Phys Sci Directorate, POB 999, Richland, WA 99352 USA.
EM Bruce.Kay@pnnl.gov; Zdenek.Dohnalek@pnnl.gov
OI Dohnalek, Zdenek/0000-0002-5999-7867
FU US Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences Biosciences
FX This work was supported by the US Department of Energy, Office of Basic
Energy Sciences, Division of Chemical Sciences, Geosciences &
Biosciences, and performed in the Environmental Molecular Sciences
Laboratory (EMSL), a national scientific user facility sponsored by the
Department of Energy's Office of Biological and Environmental Research
and located at Pacific Northwest National Laboratory (PNNL). PNNL is a
multiprogram national laboratory operated for the DOE by Battelle.
NR 38
TC 8
Z9 8
U1 5
U2 48
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 29
BP 12180
EP 12186
DI 10.1039/c3cp50687h
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 175ZB
UT WOS:000321271300022
PM 23764541
ER
PT J
AU Baber, AE
Mudiyanselage, K
Senanayake, SD
Beatriz-Vidal, A
Luck, KA
Sykes, ECH
Liu, P
Rodriguez, JA
Stacchiola, DJ
AF Baber, Ashleigh E.
Mudiyanselage, Kumudu
Senanayake, Sanjaya D.
Beatriz-Vidal, Alba
Luck, Kyle A.
Sykes, E. Charles H.
Liu, Ping
Rodriguez, Jose A.
Stacchiola, Dario J.
TI Assisted deprotonation of formic acid on Cu(111) and self-assembly of 1D
chains
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID GAS SHIFT REACTION; TEMPERATURE-PROGRAMMED DESORPTION;
SCANNING-TUNNELING-MICROSCOPY; METHANOL SYNTHESIS; STRUCTURE
SENSITIVITY; THERMAL-DESORPTION; CO2 HYDROGENATION; COPPER SURFACES;
ACTIVE-SITE; FORMATE
AB Formic acid (HCOOH) deprotonates on the open surfaces of Cu(110) and Cu(100) when exposed at 300 K. However, this does not occur on the close-packed surface of clean Cu(111). In this study, we show that the deprotonation of formic acid on atomically flat Cu(111) surfaces can be induced by pre-adsorbing polymeric formic acid clusters at low temperatures, and then annealing the system to break the acidic O-H bond of HCOOH adsorbed on the edges of the polymeric clusters. The thermal activation of HCOOH to bidentate formate was studied using a combination of infrared reflection absorption spectroscopy, scanning tunneling microscopy, X-ray photoelectron spectroscopy, and near edge X-ray absorption fine structure spectroscopy. Extended 1D formate structures self-assemble due to a templating effect introduced by the formation of long alpha-polymeric formic acid chains commensurate with the substrate.
C1 [Baber, Ashleigh E.; Mudiyanselage, Kumudu; Senanayake, Sanjaya D.; Beatriz-Vidal, Alba; Luck, Kyle A.; Rodriguez, Jose A.; Stacchiola, Dario J.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
[Sykes, E. Charles H.] Tufts Univ, Dept Chem, Medford, MA 02155 USA.
[Liu, Ping] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
RP Stacchiola, DJ (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM djs@bnl.gov
RI Stacchiola, Dario/B-1918-2009; Mudiyanselage, Kumudu/B-2277-2013;
Senanayake, Sanjaya/D-4769-2009
OI Stacchiola, Dario/0000-0001-5494-3205; Mudiyanselage,
Kumudu/0000-0002-3539-632X; Senanayake, Sanjaya/0000-0003-3991-4232
FU US Department of Energy (Chemical Sciences Division)
[DE-AC02-98CH10886]; National Science Foundation [CBET-1159882]
FX The work carried out at Brookhaven National Laboratory was supported by
the US Department of Energy (Chemical Sciences Division,
DE-AC02-98CH10886). E.C.H.S. thanks the National Science Foundation
(CBET-1159882) for support.
NR 64
TC 7
Z9 7
U1 1
U2 60
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 29
BP 12291
EP 12298
DI 10.1039/c3cp51533h
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 175ZB
UT WOS:000321271300034
PM 23775138
ER
PT J
AU Politi, JRD
Vines, F
Rodriguez, JA
Illas, F
AF dos Santos Politi, Jose Roberto
Vines, Francesc
Rodriguez, Jose A.
Illas, Francesc
TI Atomic and electronic structure of molybdenum carbide phases: bulk and
low Miller-index surfaces
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID TRANSITION-METAL CARBIDES; DENSITY-FUNCTIONAL THEORY; AU-C INTERACTIONS;
AUGMENTED-WAVE METHOD; GAS-SHIFT REACTION; CHARGE POLARIZATION; TUNGSTEN
CARBIDE; ADSORPTION; CATALYSTS; DISSOCIATION
AB The geometric and electronic structure of catalytically relevant molybdenum carbide phases (cubic delta-MoC, hexagonal alpha-MoC, and orthorhombic beta-Mo2C) and their low Miller-index surfaces have been investigated by means of periodic density functional theory (DFT) based calculations with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional. Comparison to available experimental data indicates that this functional is particularly well suited to study these materials. The calculations reveal that beta-Mo2C has a stronger metallic character than the other two polymorphs, both beta-Mo2C and d-MoC have a large ionic contribution, and delta- and alpha-MoC exhibit the strongest covalent character. Among the various surfaces explored, the calculations reveal the high stability of the delta-MoC(001) nonpolar surface, Mo- and C-terminated (001) polar surfaces of alpha-MoC, and the nonpolar (011) surface of beta-Mo2C. A substantially low work function of only 3.4 eV is predicted for beta-Mo2C(011), suggesting that this system is particularly well suited for (electro) catalytic processes where surface -> adsorbate electron transfer is essential. The overall implications for heterogeneously catalysed reactions by these molybdenum carbide nanoparticles are also discussed.
C1 [dos Santos Politi, Jose Roberto; Vines, Francesc; Illas, Francesc] Univ Barcelona, Dept Quim Fis, E-08028 Barcelona, Spain.
[dos Santos Politi, Jose Roberto; Vines, Francesc; Illas, Francesc] Univ Barcelona, Inst Quim Teor & Computac IQTCUB, E-08028 Barcelona, Spain.
[dos Santos Politi, Jose Roberto] Univ Brasilia, Inst Quim, Lab Quim Computac, BR-70904970 Brasilia, DF, Brazil.
[Rodriguez, Jose A.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Illas, F (reprint author), Univ Barcelona, Dept Quim Fis, C Marti & Franques 1, E-08028 Barcelona, Spain.
EM francesc.illas@ub.edu
RI Illas, Francesc /C-8578-2011; Politi, Jose Roberto/K-7105-2013;
OI Illas, Francesc /0000-0003-2104-6123; Politi, Jose
Roberto/0000-0001-8202-6586; Vines, Francesc/0000-0001-9987-8654
FU Spanish MICINN [FIS2008-02238, CTQ2012-30751]; Generalitat de Catalunya
[2009SGR1041, XRQTC]; US Department of Energy [DE-AC02-98CH10886];
MINECO [JCI-2010-06372]; CNPq Brasil; ICREA Academia award for
excellence in research
FX This work was supported by the Spanish MICINN (grants FIS2008-02238 and
CTQ2012-30751), Generalitat de Catalunya (grants 2009SGR1041 and XRQTC)
and US Department of Energy (DE-AC02-98CH10886). F. V. thanks the MINECO
for a postdoctoral Juan de la Cierva grant (JCI-2010-06372), J.R.S.P. is
thankful to CNPq Brasil for his postdoctoral fellowship and F. I.
acknowledges additional support through the 2009 ICREA Academia award
for excellence in research. Computational time at the MARENOSTRUM
supercomputer has been generously provided by the Barcelona
Supercomputing Centre.
NR 77
TC 27
Z9 27
U1 13
U2 119
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 30
BP 12617
EP 12625
DI 10.1039/c3cp51389k
PG 9
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 180TW
UT WOS:000321622500028
PM 23787949
ER
PT J
AU Kamath, G
Deshmukh, SA
Baker, GA
Mancini, DC
Sankaranarayanan, SKRS
AF Kamath, Ganesh
Deshmukh, Sanket A.
Baker, Gary A.
Mancini, Derrick C.
Sankaranarayanan, Subramanian K. R. S.
TI Thermodynamic considerations for solubility and conformational
transitions of poly-N-isopropyl-acrylamide
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID CRITICAL SOLUTION TEMPERATURE; MOLECULAR-DYNAMICS; FREE-ENERGIES;
FORCE-FIELD; POLY(N-ISOPROPYLACRYLAMIDE) HYDROGELS;
PARTITION-COEFFICIENTS; PHASE-EQUILIBRIA; WATER; ISOPROPYLACRYLAMIDE;
POTENTIALS
AB Thermodynamic considerations based on the free energy of hydration, free energy of solvation and partition coefficient predictions of the monomer N-isopropyl-acrylamide (NIPAM) determined using various intermolecular potentials are used to elucidate the origin of hydrophobicity/hydrophilicity across the lower critical solution temperature (LCST). Thermodynamic properties are predicted for NIPAM using adaptive bias force-molecular dynamics and various popular force-fields (AMBER, OPLS-AA, CHARMM and GROMOS) at four different temperatures: below the LCST (275 K and 300 K) and above the LCST (310 K and 330 K). The effect of changes in the thermodynamic properties of the monomer NIPAM at various temperatures below and above LCST on the kinetics of conformational transition of thermo-sensitive polymers is discussed. Our findings provide encouraging prospects for understanding the LCST transition in the hydrogel poly-N-isopropylacrylamide which shows temperature-dependent conformational changes in part due to the complex interplay of hydrophilic/hydrophobic interactions.
C1 [Kamath, Ganesh; Baker, Gary A.] Univ Missouri, Dept Chem, Columbia, MO 65211 USA.
[Deshmukh, Sanket A.; Mancini, Derrick C.; Sankaranarayanan, Subramanian K. R. S.] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Mancini, DC (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM mancini@anl.gov; skrssank@anl.gov
RI Baker, Gary/H-9444-2016
OI Baker, Gary/0000-0002-3052-7730
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]; [2F32501-ANL]
FX Use of the Center for Nanoscale Materials was supported by the U.S.
Department of Energy, Office of Science, Office of Basic Energy
Sciences, under Contract No. DE-AC02-06CH11357. The authors thank the
computational facilities provided by CNM-ANL (CNM-31237) and the
University of Missouri-Bioinformatics Consortium. Financial support from
subcontract No. 2F32501-ANL to University of Missouri (GK and GAB) is
gratefully acknowledged.
NR 29
TC 5
Z9 5
U1 2
U2 54
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 30
BP 12667
EP 12673
DI 10.1039/c3cp44076a
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 180TW
UT WOS:000321622500033
PM 23793265
ER
PT S
AU Lechman, JB
Yarrington, C
Erikson, W
Noble, DR
AF Lechman, Jeremy B.
Yarrington, Cole
Erikson, William
Noble, David R.
BE Yu, A
Dong, K
Yang, R
Luding, S
TI Thermal Conduction in Particle Packs via Finite Elements
SO POWDERS AND GRAINS 2013
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 7th International Conference on Micromechanics of Granular Media
(Powders and Grains)
CY JUL 08-12, 2013
CL Sydney, AUSTRALIA
SP Assoc Study Micromechan Granular Media (AEMMG), Univ New S Wales (UNSW), Lab Simulat & Modelling Particulate Syst (SIMPAS), Curtin Univ (CU), Dept Chemical Engn, Univ Twente (UT), Multi Scale Mech Grp (CTW & MESA+), JMBC Res Sch Fluid Mechan, Elsevier, Univ New S Wales (UNSW), Sch Mat Sci & Engn
DE Finite Element; thermal conduction; granular
ID SPHERES; FLOW; SUSPENSIONS; SIMULATION; LATTICES
AB Conductive transport in heterogeneous materials composed of discrete particles is a fundamental problem for a number of applications. While analytical results and rigorous bounds on effective conductivity in mono-sized particle dispersions are well established in the literature, the methods used to arrive at these results often fail when the average size of particle clusters becomes large (i.e., near the percolation transition where particle contact networks dominate the bulk conductivity). Our aim is to develop general, efficient numerical methods that would allow us to explore this behavior and compare to a recent microstructural description of conduction in this regime. To this end, we present a finite element analysis approach to modeling heat transfer in granular media with the goal of predicting effective bulk thermal conductivities of particle-based heterogeneous composites. Our approach is verified against theoretical predictions for random isotropic dispersions of mono-disperse particles at various volume fractions up to close packing. Finally, we present results for the probability distribution of the effective conductivity in particle dispersions generated by Brownian dynamics, and suggest how this might be useful in developing stochastic models of effective properties based on the dynamical process involved in creating heterogeneous dispersions.
C1 [Lechman, Jeremy B.; Yarrington, Cole; Erikson, William] Sandia Natl Labs, Nanoscale & React Proc Dept, POB 5800, Albuquerque, NM 87185 USA.
[Noble, David R.] Sandia Natl Labs, Thermal & Fluid Proc Dept, Albuquerque, NM USA.
RP Lechman, JB (reprint author), Sandia Natl Labs, Nanoscale & React Proc Dept, POB 5800, Albuquerque, NM 87185 USA.
FU Sandia National Laboratories is a multi-program laboratory; Sandia
Corporation; Lockheed Martin Corporation; 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 Energys National Nuclear
Security Administration under contract DE-AC04- 94AL85000.
NR 23
TC 0
Z9 0
U1 0
U2 7
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1166-1
J9 AIP CONF PROC
PY 2013
VL 1542
BP 539
EP 542
DI 10.1063/1.4811987
PG 4
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Physics, Applied
SC Science & Technology - Other Topics; Materials Science; Physics
GA BFQ84
UT WOS:000321003200130
ER
PT S
AU Perton, M
Levesque, D
Monchalin, JP
Lord, M
Smith, JA
Rabin, BH
AF Perton, M.
Levesque, D.
Monchalin, J-P
Lord, M.
Smith, J. A.
Rabin, B. H.
BE Thompson, DO
Chimenti, DE
TI LASER SHOCKWAVE TECHNIQUE FOR CHARACTERIZATION OF NUCLEAR FUEL PLATE
INTERFACES
SO REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE EVALUATION, VOLS 32A
AND 32B
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 39th Annual Review of Progress in Quantitative Nondestructive Evaluation
(QNDE)
CY JUL 15-20, 2012
CL Denver, CO
SP QNDE Programs, AF Res Lab, Army Res Lab, Amer Soc Nondestruct Testing (ASNT), Dept Energy, AMES Lab, Fed Aviat Adm (FAA), Natl Aeronaut & Space Adm (NASA), Natl Sci Fdn (NSF), Ind/Univ Cooperat Res Ctr, Iowa State Univ, Ctr Nondestruct Evaluat
DE Laser Ultrasonics; Shock Waves; Adhesion Testing; Nuclear Fuel Plate
AB The US National Nuclear Security Agency is tasked with minimizing the worldwide use of high-enriched uranium. One aspect of that effort is the conversion of research reactors to monolithic fuel plates of low-enriched uranium. The manufacturing process includes hot isostatic press bonding of an aluminum cladding to the fuel foil. The Laser Shockwave Technique (LST) is here evaluated for characterizing the interface strength of fuel plates using depleted Uranium/Mo foils. LST is a non-contact method that uses lasers for the generation and detection of large amplitude acoustic waves and is therefore well adapted to the quality assurance of this process. Preliminary results show a clear signature of well-bonded and debonded interfaces and the method is able to classify/rank the bond strength of fuel plates prepared under different HIP conditions.
C1 [Perton, M.; Levesque, D.; Monchalin, J-P; Lord, M.] Natl Res Council Canada, 75 de Mortagne Blvd, Boucherville, PQ J4B 6Y4, Canada.
[Smith, J. A.; Rabin, B. H.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Perton, M (reprint author), Natl Res Council Canada, 75 de Mortagne Blvd, Boucherville, PQ J4B 6Y4, Canada.
EM jean-pierre.monchalin@cnrc-nrc.gc.ca; James.Smith@INL.gov
NR 7
TC 2
Z9 2
U1 0
U2 2
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1129-6
J9 AIP CONF PROC
PY 2013
VL 1511
BP 345
EP 352
DI 10.1063/1.4789068
PG 8
WC Materials Science, Characterization & Testing
SC Materials Science
GA BFM02
UT WOS:000320452600042
ER
PT S
AU Sun, JG
AF Sun, J. G.
BE Thompson, DO
Chimenti, DE
TI EVOLUTION OF IMAGE PROCESSING METHODS FOR PULSED THERMAL IMAGING
SO REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE EVALUATION, VOLS 32A
AND 32B
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 39th Annual Review of Progress in Quantative Nondestructive Evaluation
(QNDE)
CY JUL 15-20, 2012
CL Denver, CO
SP QNDE Programs, AF Res Lab, Army Res Lab, Amer Soc Nondestruct Testing (ASNT), Dept Energy, AMES Lab, Fed Aviat Adm (FAA), Natl Aeronaut & Space Adm (NASA), Natl Sci Fdn (NSF), Ind/Univ Cooperat Res Ctr, Iowa State Univ, Ctr Nondestruct Evaluat
DE Image Processing Methods; Pulsed Thermal Imaging; Nondestructive
Evaluation
ID THERMOGRAPHY; DIFFUSIVITY; ENHANCEMENT
AB Pulsed thermal imaging is a commonly used infrared thermal imaging technology for nondestructive evaluation of engineering materials. It provides a complete interrogation and therefore a potentially complete quantification of the thermal properties of a test material. Two distinct applications have been pursued in the development of data/imaging processing methods: one for material property measurement and the other for flaw or discontinuity detection. For property measurement, theoretical models for one-and multi-layer materials are used to determine thickness-averaged material properties. For flaw detection, various image-processing methods are developed to enhance and extract the thermal contrast induced by subsurface flaw/discontinuities. This study examines the evolution of these methods and compares the differences of flaw-detection methods for detection and characterization of delamination flaws.
C1 Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA.
RP Sun, JG (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM sun@anl.gov
NR 15
TC 0
Z9 0
U1 0
U2 2
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1129-6
J9 AIP CONF PROC
PY 2013
VL 1511
BP 691
EP 698
DI 10.1063/1.4789113
PG 8
WC Materials Science, Characterization & Testing
SC Materials Science
GA BFM02
UT WOS:000320452600087
ER
PT S
AU Bakhtiari, S
Wang, K
Elmer, TW
Koehl, E
Raptis, AC
AF Bakhtiari, S.
Wang, K.
Elmer, T. W.
Koehl, E.
Raptis, A. C.
BE Thompson, DO
Chimenti, DE
TI DEVELOPMENT OF A NOVEL ULTRASONIC TEMPERATURE PROBE FOR LONG-TERM
MONITORING OF DRY CASK STORAGE SYSTEMS
SO REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE EVALUATION, VOLS 32A
AND 32B
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 39th Annual Review of Progress in Quantative Nondestructive Evaluation
(QNDE)
CY JUL 15-20, 2012
CL Denver, CO
SP QNDE Programs, AF Res Lab, Army Res Lab, Amer Soc Nondestruct Testing (ASNT), Dept Energy, AMES Lab, Fed Aviat Adm (FAA), Natl Aeronaut & Space Adm (NASA), Natl Sci Fdn (NSF), Ind/Univ Cooperat Res Ctr, Iowa State Univ, Ctr Nondestruct Evaluat
DE Dry Cask Storage System; Ultrasonic Temperature Probe; Long-term
Temperature Monitoring
ID THERMOMETRY
AB With the recent cancellation of the Yucca Mountain repository and the limited availability of wet storage utilities for spent nuclear fuel (SNF), more attention has been directed toward dry cask storage systems (DCSSs) for long-term storage of SNF. Consequently, more stringent guidelines have been issued for the aging management of dry storage facilities that necessitate monitoring of the conditions of DCSSs. Continuous health monitoring of DCSSs based on temperature variations is one viable method for assessing the integrity of the system. In the present work, a novel ultrasonic temperature probe (UTP) is being tested for long-term online temperature monitoring of DCSSs. Its performance was evaluated and compared with type N thermocouple (NTC) and resistance temperature detector (RTD) using a small-scale dry storage canister mockup. Our preliminary results demonstrate that the UTP system developed at Argonne is able to achieve better than 0.8 degrees C accuracy, tested at temperatures of up to 400 degrees C. The temperature resolution is limited only by the sampling rate of the current system. The flexibility of the probe allows conforming to complex geometries thus making the sensor particularly suited to measurement scenarios where access is limited.
C1 [Bakhtiari, S.; Wang, K.; Elmer, T. W.; Koehl, E.; Raptis, A. C.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA.
RP Bakhtiari, S (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave,Bldg 308, Argonne, IL 60439 USA.
EM kwang@anl.gov
NR 11
TC 1
Z9 1
U1 0
U2 3
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1129-6
J9 AIP CONF PROC
PY 2013
VL 1511
BP 1526
EP 1533
DI 10.1063/1.4789223
PG 8
WC Materials Science, Characterization & Testing
SC Materials Science
GA BFM02
UT WOS:000320452600197
ER
PT S
AU Meyer, RM
Ramuhalli, P
Doctor, SR
Bond, LJ
AF Meyer, R. M.
Ramuhalli, P.
Doctor, S. R.
Bond, L. J.
BE Thompson, DO
Chimenti, DE
TI QUALIFICATION REQUIREMENTS OF GUIDED ULTRASONIC WAVES FOR INSPECTION OF
PIPING IN LIGHT WATER REACTORS
SO REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE EVALUATION, VOLS 32A
AND 32B
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 39th Annual Review of Progress in Quantitative Nondestructive Evaluation
(QNDE)
CY JUL 15-20, 2012
CL Denver, CO
SP QNDE Programs, AF Res Lab, Army Res Lab, Amer Soc Nondestruct Testing (ASNT), Dept Energy, AMES Lab, Fed Aviat Adm (FAA), Natl Aeronaut & Space Adm (NASA), Natl Sci Fdn (NSF), Ind/Univ Cooperat Res Ctr, Iowa State Univ, Ctr Nondestruct Evaluat
DE Guided Ultrasonic Waves; Performance Demonstration; Qualification;
Nuclear Power Plant
ID DEFECTS; NOTCHES; PIPES; MODE
AB It is anticipated that guided ultrasonic wave (GUW) techniques will eventually see widespread application in the nuclear power industry as there are several near-term and future needs that could benefit from the availability of GUW technologies. Already, GUW techniques are receiving consideration for inspecting buried piping at nuclear power plants and future applications may include several Class 1 and 2 components. To accept the results of a nondestructive examination of safety critical components, the U. S. Nuclear Regulatory Commission requires that the examinations be performed using qualified equipment, personnel, and procedures. As the use of GUW techniques becomes more frequent, qualification may be required. Performance demonstration has been the approach to qualifying conventional NDE methods in the nuclear power industry. This paper highlights potential issues and research needs associated with facilitating GUW qualification for the nuclear power industry. Parametric studies of essential inspection parameters are necessary to understand their influence on inspection performance. The large volume sampling capability introduces several challenges for qualifying GUW techniques including the quantification of performance, potential interference caused by the presence of multiple flaws in the inspection region, and the practicality of manufacturing several large qualification specimens. Computer simulation may have a significant role in reducing the experimental burden associated with qualifying GUW techniques for nuclear power plant examinations.
C1 [Meyer, R. M.; Ramuhalli, P.; Doctor, S. R.] Pacific Northwest Natl Lab, Richland, WA 99352 USA.
[Bond, L. J.] Iowa State Univ, Ctr Nondestruct Evaluat, Ames, IA 50011 USA.
RP Meyer, RM (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA.
FU Reactor Aging Management (RAM) Focus Area of Pacific Northwest National
Laboratory (PNNL); Sustainable Nuclear Power Initiative (SNPI); US
Department of Energy [DE-AC06-76RLO 1830]
FX This work was supported through the Reactor Aging Management (RAM) Focus
Area of the Pacific Northwest National Laboratory (PNNL) Sustainable
Nuclear Power Initiative (SNPI). PNNL is a multi-program national
laboratory operated by Battelle Memorial Institute for the US Department
of Energy under DE-AC06-76RLO 1830.
NR 26
TC 0
Z9 0
U1 0
U2 3
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1129-6
J9 AIP CONF PROC
PY 2013
VL 1511
BP 1662
EP 1669
DI 10.1063/1.4789241
PG 8
WC Materials Science, Characterization & Testing
SC Materials Science
GA BFM02
UT WOS:000320452600215
ER
PT S
AU Schley, RS
Hurley, DH
Hua, ZA
AF Schley, R. S.
Hurley, D. H.
Hua, Z. A.
BE Thompson, DO
Chimenti, DE
TI OPTICAL FIBER TECHNIQUE FOR IN-REACTOR MECHANICAL PROPERTIES MEASUREMENT
SO REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE EVALUATION, VOLS 32A
AND 32B
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 39th Annual Review of Progress in Quantative Nondestructive Evaluation
(QNDE)
CY JUL 15-20, 2012
CL Denver, CO
SP QNDE Programs, AF Res Lab, Army Res Lab, Amer Soc Nondestruct Testing (ASNT), Dept Energy, AMES Lab, Fed Aviat Adm (FAA), Natl Aeronaut & Space Adm (NASA), Natl Sci Fdn (NSF), Ind/Univ Cooperat Res Ctr, Iowa State Univ, Ctr Nondestruct Evaluat
DE Irradiation Testing; Material Properties; Optical Fiber
ID INTERNAL-FRICTION; YOUNGS MODULUS; IRRADIATION; COPPER
AB In-reactor measurement of material properties is required for a better understanding of radiation effects on materials. We present an optical fiber based technique for measuring changes in elastic properties which involves exciting and measuring flexural vibrations in a thin cantilever beam. By exciting the beam and measuring the resonant frequency, changes in the modulus of elasticity can be monitored. The technique is demonstrated by monitoring the elastic property changes of a beam fabricated from copper, as the copper undergoes recrystallization at elevated temperature.
C1 [Schley, R. S.; Hurley, D. H.; Hua, Z. A.] Idaho Natl Lab, Dept Mat Sci, Idaho Falls, ID 83415 USA.
RP Schley, RS (reprint author), Idaho Natl Lab, Dept Mat Sci, POB 1625, Idaho Falls, ID 83415 USA.
EM robert.schley@inl.gov
RI Schley, Robert/B-9124-2017
OI Schley, Robert/0000-0001-8907-6535
NR 18
TC 0
Z9 0
U1 0
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1129-6
J9 AIP CONF PROC
PY 2013
VL 1511
BP 1701
EP 1708
DI 10.1063/1.4789246
PG 8
WC Materials Science, Characterization & Testing
SC Materials Science
GA BFM02
UT WOS:000320452600220
ER
PT S
AU McCloy, JS
Ramuhalli, P
Henager, C
AF McCloy, J. S.
Ramuhalli, Pradeep
Henager, Charles, Jr.
BE Thompson, DO
Chimenti, DE
TI USE OF FIRST ORDER REVERSAL CURVE MEASUREMENTS TO UNDERSTAND BARKHAUSEN
NOISE EMISSION IN NUCLEAR STEEL
SO REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE EVALUATION, VOLS 32A
AND 32B
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 39th Annual Review of Progress in Quantitative Nondestructive Evaluation
(QNDE)
CY JUL 15-20, 2012
CL Denver, CO
SP QNDE Programs, AF Res Lab, Army Res Lab, Amer Soc Nondestruct Testing (ASNT), Dept Energy, AMES Lab, Fed Aviat Adm (FAA), Natl Aeronaut & Space Adm (NASA), Natl Sci Fdn (NSF), Ind/Univ Cooperat Res Ctr, Iowa State Univ, Ctr Nondestruct Evaluat
DE Barkhausen; First Order Reversal Curves; Reversible Magnetization;
Reactor Steel
ID MAGNETIC-PROPERTIES; HYSTERESIS; DIAGRAMS; MODEL
AB A prototypical ferritic/martensitic alloy, HT-9, of interest to the nuclear materials community was investigated for microstructure effects on Barkhausen noise emission and first-order reversal curve (FORC) analysis for three different heat-treated samples. It was observed that Barkhausen noise emission and reversible component of magnetization, computed from the FORC data, decreased with increasing measured mechanical hardness. The results are discussed in terms of the use of magnetic signatures for use in nondestructive interrogation of radiation damage and other microstructural changes in ferritic/martensitic alloys. FORC analysis is shown to be particularly useful for detailed characterization of defect density and pinning, which can be correlated to bulk nondestructive evaluation field measurements such as Barkhausen noise emission.
C1 [McCloy, J. S.; Ramuhalli, Pradeep; Henager, Charles, Jr.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP McCloy, JS (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM pradeep.ramuhalli@pnl.gov
NR 27
TC 3
Z9 3
U1 1
U2 8
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1129-6
J9 AIP CONF PROC
PY 2013
VL 1511
BP 1709
EP 1716
DI 10.1063/1.4789247
PG 8
WC Materials Science, Characterization & Testing
SC Materials Science
GA BFM02
UT WOS:000320452600221
ER
PT J
AU Le, VQ
Cochis, A
Rimondini, L
Pourroy, G
Stanic, V
Palkowski, H
Carrado, A
AF Van Quang Le
Cochis, Andrea
Rimondini, Lia
Pourroy, Genevieve
Stanic, Vesna
Palkowski, Heinz
Carrado, Adele
TI Biomimetic calcium-phosphates produced by an auto-catalytic route on
stainless steel 316L and bio-inert polyolefin
SO RSC ADVANCES
LA English
DT Article
ID HYDROXYAPATITE COATINGS; CELL-CULTURES; IN-VITRO; BIOCOMPATIBILITY;
TITANIUM; BONE; IMPLANTS; SURFACE; CORROSION; METALS
AB A melange of hydroxyapatite and calcium phosphate hydrate coatings have been deposited on the surfaces of 316L type stainless steel and polyolefin (PP-PE), both components of 316L/PP-PE/316L sandwich, by an auto-catalytic route using an acidic bath. Coatings on 316L are made of spherules size ranged from 100 nm to 1 mu m while those observed on PP-PE are smaller in the 50-600 nm range. Cell viability is much higher in samples with novel auto-catalytic layer of Ca-P than in the uncoated ones. Furthermore, our results show that the Ca-P coating produced by an auto-catalytic route act as promoter for osteoblasts proliferation. Osteoblasts morphology investigated by immunofluorescence proves that they are attached and well spread confirming the cytocompatibility.
C1 [Van Quang Le; Pourroy, Genevieve; Carrado, Adele] Inst Phys & Chim Mat Strasbourg, UMR UDS CNRS 7504, F-67034 Strasbourg 2, France.
[Cochis, Andrea; Rimondini, Lia] Univ Piemonte Orientale Amedeo Avogadro, Dept Hlth Sci, Lab Biomed & Dent Mat, I-28100 Novara, Italy.
[Stanic, Vesna] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
[Palkowski, Heinz] Clausthal Univ Technol TUC, Inst Met IMET Met Forming & Proc, D-38678 Clausthal Zellerfeld, Germany.
RP Carrado, A (reprint author), Inst Phys & Chim Mat Strasbourg, UMR UDS CNRS 7504, 23 Rue Loess,BP 43, F-67034 Strasbourg 2, France.
EM adele.carrado@ipcms.unistra.fr
RI Carrado, Adele/B-6542-2014; stanic, vesna/J-9013-2012
OI Carrado, Adele/0000-0003-1094-4075; stanic, vesna/0000-0003-0318-9454
FU German Research Foundation DFG; DAAD [D/0707603]; EGIDE (PHC PROCOPE)
[17895XK]; APIC-DEU-PICS [5245]; US Department of Energy, Office of
Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]
FX The authors are grateful for the support of the German Research
Foundation DFG, DAAD (D/0707603), EGIDE (PHC PROCOPE No. 17895XK), and
APIC-DEU-PICS (No. 5245) for funding this research. Moreover, we thank
ThyssenKrupp Nirosta for supporting us with the steel material. Use of
the National Synchrotron Light Source, Brookhaven National Laboratory,
was supported by the US Department of Energy, Office of Science, Office
of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. The
authors take pleasure in acknowledging M. Dris Ihiawakrim, M. Jacques
Faerber and Dr Enrico Catalano for TEM, SEM and immunofluorescent
observations respectively.
NR 43
TC 5
Z9 5
U1 1
U2 10
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2013
VL 3
IS 28
BP 11255
EP 11262
DI 10.1039/c3ra23385e
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA 169LU
UT WOS:000320782500021
ER
PT J
AU Burr, T
Hamada, MS
Howell, J
Skurikhin, M
Ticknor, L
Weaver, B
AF Burr, Tom
Hamada, Michael S.
Howell, John
Skurikhin, Misha
Ticknor, Larry
Weaver, Brian
TI Estimating Alarm Thresholds for Process Monitoring Data under Different
Assumptions about the Data Generating Mechanism
SO SCIENCE AND TECHNOLOGY OF NUCLEAR INSTALLATIONS
LA English
DT Article
ID CONTROL CHARTS; RUN-LENGTH; (X)OVER-BAR; LIMITS; QUANTILES; MODELS; FUEL
AB Process monitoring (PM) for nuclear safeguards sometimes requires estimation of thresholds corresponding to small false alarm rates. Threshold estimation dates to the 1920s with the Shewhart control chart; however, because possible new roles for PM are being evaluated in nuclear safeguards, it is timely to consider modern model selection options in the context of threshold estimation. One of the possible new PM roles involves PM residuals, where a residual is defined as residual = data - prediction. This paper reviews alarm threshold estimation, introduces model selection options, and considers a range of assumptions regarding the data-generating mechanism for PM residuals. Two PM examples from nuclear safeguards are included to motivate the need for alarm threshold estimation. The first example involves mixtures of probability distributions that arise in solution monitoring, which is a common type of PM. The second example involves periodic partial cleanout of in-process inventory, leading to challenging structure in the time series of PM residuals.
C1 [Burr, Tom; Hamada, Michael S.; Skurikhin, Misha; Ticknor, Larry; Weaver, Brian] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Howell, John] Univ Glasgow, Dept Mech Engn, Glasgow G12 8QQ, Lanark, Scotland.
RP Burr, T (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM tburr@lanl.gov
OI Ticknor, Lawrence/0000-0002-7967-7908
NR 47
TC 1
Z9 1
U1 0
U2 0
PU HINDAWI PUBLISHING CORPORATION
PI NEW YORK
PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA
SN 1687-6075
J9 SCI TECHNOL NUCL INS
JI Sci. Technol. Nucl. Install.
PY 2013
AR 705878
DI 10.1155/2013/705878
PG 18
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA 180YN
UT WOS:000321635300001
ER
PT J
AU Lee, J
AF Lee, Jungho
TI TWO DOMAIN DECOMPOSITION METHODS FOR AUXILIARY LINEAR PROBLEMS OF A
MULTIBODY ELLIPTIC VARIATIONAL INEQUALITY
SO SIAM JOURNAL ON SCIENTIFIC COMPUTING
LA English
DT Article
DE domain decomposition; variational inequalities; one-level finite element
tearing and interconnecting; dual-primal finite element tearing and
interconnecting; balanced domain decomposition by constraints
ID ACTIVE SET STRATEGY; FETI-DP ALGORITHM; PRIMAL SUBSTRUCTURING METHOD;
CONTACT PROBLEMS; LAGRANGE MULTIPLIERS; ENERGY MINIMIZATION; PART I;
CONVERGENCE; ELASTICITY; CONSTRAINTS
AB Elliptic variational inequalities with multiple bodies in two dimensions are considered. It is assumed that an active set method is used to handle the nonlinearity of the inequality constraint, which results in auxiliary linear problems. For solving such linear problems we study two domain decomposition methods called the finite element tearing and interconnecting (FETI-FETI) and hybrid methods in this paper. Bodies are decomposed into several subdomains in both methods. The FETI-FETI method combines the one-level FETI and the dual-primal FETI (FETI-DP) methods. We present a proof that this combined method has a condition number that depends linearly on the number of subdomains across each body and polylogarithmically on the number of elements across each subdomain. Our numerical results, and those of others, suggest that this is the best possible bound. The hybrid method combines the one-level FETI and the balanced domain decomposition by constraints (BDDC) methods; we prove that the condition number of this method has two polylogarithmic factors depending on the number of elements across each subdomain and across each body. We present numerical results confirming this theoretical finding.
C1 Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA.
RP Lee, J (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM julee@mcs.anl.gov
FU Office of Advanced Scientific Computing Research, Office of Science,
U.S. Department of Energy [DE-AC02-06CH11357]
FX This work was supported by the Office of Advanced Scientific Computing
Research, Office of Science, U.S. Department of Energy, under contract
DE-AC02-06CH11357.
NR 46
TC 0
Z9 0
U1 0
U2 1
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 1064-8275
J9 SIAM J SCI COMPUT
JI SIAM J. Sci. Comput.
PY 2013
VL 35
IS 3
BP A1350
EP A1375
DI 10.1137/100783753
PG 26
WC Mathematics, Applied
SC Mathematics
GA 172YX
UT WOS:000321044800006
ER
PT J
AU Cyr, EC
Shadid, JN
Tuminaro, RS
Pawlowski, RP
Chacon, L
AF Cyr, Eric C.
Shadid, John N.
Tuminaro, Raymond S.
Pawlowski, Roger P.
Chacon, Luis
TI A NEW APPROXIMATE BLOCK FACTORIZATION PRECONDITIONER FOR TWO-DIMENSIONAL
INCOMPRESSIBLE (REDUCED) RESISTIVE MHD
SO SIAM JOURNAL ON SCIENTIFIC COMPUTING
LA English
DT Article
DE block preconditioning; magnetohydrodynamics; stabilized finite element;
large-scale parallel; multilevel preconditioner; fully implicit
ID NAVIER-STOKES EQUATIONS; NEWTON-KRYLOV METHODS; ALGEBRAIC MULTILEVEL
PRECONDITIONER; DRIFT-DIFFUSION; SYSTEMS; IMPLICIT; PERFORMANCE; FLUID;
FLOW; SIMULATIONS
AB The one-fluid visco-resistive MHD model provides a description of the dynamics of a charged fluid under the influence of an electromagnetic field. This model is strongly coupled, highly nonlinear, and characterized by physical mechanisms that span a wide range of interacting time scales. Solutions of this system can include very fast component time scales to slowly varying dynamical time scales that are long relative to the normal modes of the model equations. Fully implicit time stepping is attractive for simulating this type of wide-ranging physical phenomena. However, it is essential that one has effective preconditioning strategies so that the overall fully implicit methodology is both efficient and scalable. In this paper, we propose and explore the performance of several candidate block preconditioners for this system. One of these preconditioners is based on an operator-split approximation. This method reduces the 3 x 3 system (momentum, continuity, and magnetics) into two 2 x 2 operators: a Navier-Stokes operator (momentum and continuity) and a magnetics-velocity operator (momentum and magnetics) which takes into account the critical Lorentz force coupling. Using previously developed preconditioners for Navier-Stokes, and an initial Schur-complement approximation for the magnetics-velocity system, we show that the split preconditioner is scalable and competitive with other preconditioners, including a fully coupled algebraic multigrid method.
C1 [Cyr, Eric C.; Shadid, John N.; Tuminaro, Raymond S.; Pawlowski, Roger P.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Chacon, Luis] Oak Ridge Natl Lab, Oak Ridge, TN 37837 USA.
RP Cyr, EC (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM eccyr@sandia.gov; jnshadi@sandia.gov; rstumin@sandia.gov;
rppawlo@sandia.gov; chacon@lanl.gov
FU DOE Office of Science AMR program at Oak Ridge National Laboratory
[DE-AC05-00OR22725]; Sandia National Laboratories [DE-AC04-94AL85000];
U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX This work was partially supported by the DOE Office of Science AMR
program at Oak Ridge National Laboratory under contract
DE-AC05-00OR22725, and Sandia National Laboratories under contract
DE-AC04-94AL85000. 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 57
TC 14
Z9 14
U1 0
U2 15
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 1064-8275
J9 SIAM J SCI COMPUT
JI SIAM J. Sci. Comput.
PY 2013
VL 35
IS 3
BP B701
EP B730
DI 10.1137/12088879X
PG 30
WC Mathematics, Applied
SC Mathematics
GA 172YX
UT WOS:000321044800030
ER
PT J
AU Peterson, JL
Hammett, GW
AF Peterson, J. L.
Hammett, G. W.
TI POSITIVITY PRESERVATION AND ADVECTION ALGORITHMS WITH APPLICATIONS TO
EDGE PLASMA TURBULENCE
SO SIAM JOURNAL ON SCIENTIFIC COMPUTING
LA English
DT Article
DE numerical simulation; fluid; advection; positivity; high-order upwind
ID DISCONTINUOUS GALERKIN METHOD; TIME-SPLITTING METHODS;
CONSERVATION-LAWS; 2-DIMENSIONAL TURBULENCE; FINITE-DIFFERENCES;
SCHEMES; ACCURACY; EQUATIONS; DYNAMICS; FLOWS
AB The unique conditions of edge tokamak plasmas motivate the employment of efficient numerical methods that can robustly handle steep temperature and density gradients. To that end, we compare an Arakawa finite difference technique with some recent high-resolution upwind methods that are designed to minimize nonmonotonic overshoots while preserving the accuracy of solutions at smooth extrema. Versions of these algorithms are able to rigorously preserve positivity when that is physically relevant (such as for the advection of particle density or temperature). We explain in detail the use of these methods for the nonlinear Poisson bracket, an operator applicable to neutral fluid, gyrofluid, gyrokinetic, and general Hamiltonian simulations. For one-dimensional passive advection, the high-resolution upwind techniques maintain monotonicity and approach minimal levels of phase error and dissipation, especially at long wavelengths. In a two-dimensional incompressible Navier-Stokes vortex merging problem we find that extrema-preserving methods can resolve details at lower resolution than the Arakawa technique, are less dissipative than traditional finite volume methods while still minimizing overshoots and ensuring positivity, and model nonlinear cascade behavior fairly well without additional subgrid damping.
C1 [Peterson, J. L.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
[Hammett, G. W.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
RP Peterson, JL (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA.
EM peterson76@llnl.gov; hammett@pppl.gov
RI Hammett, Gregory/D-1365-2011
OI Hammett, Gregory/0000-0003-1495-6647
FU U.S. Department of Energy [DE-AC52-07NA27344, DE-AC02-09CH11466]; Center
for the Study of Plasma Microturbulence, a U.S. Department of Energy
Scientific Discovery Through Advanced Computing project
FX This work was supported by the Center for the Study of Plasma
Microturbulence, a U.S. Department of Energy Scientific Discovery
Through Advanced Computing project. This work was performed under the
auspices of the U.S. Department of Energy by Lawrence Livermore National
Laboratory under contract DE-AC52-07NA27344 and by the Princeton Plasma
Physics Laboratory under contract DE-AC02-09CH11466.
NR 35
TC 2
Z9 2
U1 1
U2 16
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 1064-8275
EI 1095-7197
J9 SIAM J SCI COMPUT
JI SIAM J. Sci. Comput.
PY 2013
VL 35
IS 3
BP B576
EP B605
DI 10.1137/120888053
PG 30
WC Mathematics, Applied
SC Mathematics
GA 172YX
UT WOS:000321044800025
ER
PT J
AU Kokot, G
Snezhko, A
Aranson, IS
AF Kokot, Gasper
Snezhko, Alexey
Aranson, Igor S.
TI Emergent coherent states and flow rectification in active magnetic
colloidal monolayers
SO SOFT MATTER
LA English
DT Article
AB We report on an emergent coherent behavior of a ferromagnetic colloidal monolayer suspended at a liquid-air interface and powered by a single-axis alternating in-plane magnetic field. Large-scale coherent states are manifested by formation of dynamic vortex arrays within the colloidal monolayer. Emergence of the dynamic coherence and self-organized patterns in this non-equilibrium colloidal system is attributed to a spontaneous symmetry breaking due to subtle interplay between magnetic, steric, and hydrodynamic forces acting on individual colloidal particles. Collective response of the magnetic colloidal monolayer induces in-plane rectified hydrodynamic surface flows which in turn entrains the particles, resulting in a variety of coherent states.
C1 [Kokot, Gasper] Jozef Stefan Inst, Complex Matter Dept, Ljubljana 1000, Slovenia.
[Snezhko, Alexey; Aranson, Igor S.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
RP Snezhko, A (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM snezhko@anl.gov
RI Aranson, Igor/I-4060-2013
FU U.S. DOE, Office of Basic Energy Sciences, Division of Materials Science
and Engineering [DE AC02-06CH11357]
FX The research was supported by the U.S. DOE, Office of Basic Energy
Sciences, Division of Materials Science and Engineering, under the
Contract no. DE AC02-06CH11357.
NR 24
TC 7
Z9 7
U1 0
U2 13
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1744-683X
J9 SOFT MATTER
JI Soft Matter
PY 2013
VL 9
IS 29
BP 6757
EP 6760
DI 10.1039/c3sm00136a
PG 4
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA 175ZR
UT WOS:000321273000020
ER
PT J
AU Haxton, TK
Whitelam, S
AF Haxton, Thomas K.
Whitelam, Stephen
TI Do hierarchical structures assemble best via hierarchical pathways?
SO SOFT MATTER
LA English
DT Article
ID PROTEIN CRYSTAL; GERM-FORMATION; S-LAYER; KINETICS; GROWTH; RULE;
NUCLEATION; PHASE; TIME
AB Hierarchically structured natural materials possess functionalities unattainable to the same components organized or mixed in simpler ways. For instance, the bones and teeth of mammals are far stronger and more durable than the mineral phases from which they are derived because their constituents are organized hierarchically from the molecular scale to the macroscale. Making similarly functional synthetic hierarchical materials will require an understanding of how to promote the self-assembly of structure on multiple length scales, without falling foul of numerous possible kinetic traps. Here we use computer simulation to study the self-assembly of a simple hierarchical structure, a square crystal lattice whose repeat unit is a tetramer. Although the target material is organized hierarchically, it self-assembles most reliably when its dynamic assembly pathway consists of the sequential addition of monomers to a single structure. Hierarchical dynamic pathways via dimer and tetramer intermediates are also viable modes of assembly, but result in general in lower yield: these intermediates have a stronger tendency than monomers to associate in ways not compatible with the target structure. In addition, assembly via tetramers results in a kinetic trap whereby material is sequestered in trimers that cannot combine to form the target crystal. We use analytic theory to relate dynamical pathways to the presence of equilibrium phases close in free energy to the target structure, and to identify the thermodynamic principles underpinning optimum self-assembly in this model: (1) make the free energy gap between the target phase and the most stable fluid phase of order kBT, and (2) ensure that no other dense phases (liquids or close-packed solids of monomers or oligomers) or fluids of incomplete building blocks fall within this gap.
C1 [Haxton, Thomas K.; Whitelam, Stephen] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
RP Whitelam, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
EM swhitelam@lbl.gov
RI Foundry, Molecular/G-9968-2014
FU Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy [DE-AC02-05CH11231]
FX This work was performed at the Molecular Foundry, Lawrence Berkeley
National Laboratory, used resources of the National Energy Research
Scientific Computing Center, and was supported by the Director, Office
of Science, Office of Basic Energy Sciences, of the U.S. Department of
Energy under Contract No. DE-AC02-05CH11231.
NR 56
TC 14
Z9 14
U1 1
U2 40
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1744-683X
J9 SOFT MATTER
JI Soft Matter
PY 2013
VL 9
IS 29
BP 6851
EP 6861
DI 10.1039/c3sm27637f
PG 11
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA 175ZR
UT WOS:000321273000030
ER
PT S
AU Appavoo, K
Brady, NF
Seo, M
Nag, J
Prasankumar, RP
Hilton, DJ
Haglund, RF
AF Appavoo, K.
Brady, N. F.
Seo, M.
Nag, J.
Prasankumar, R. P.
Hilton, D. J.
Haglund, R. F., Jr.
BE Chergui, M
Taylor, A
Cundiff, S
DeVivieRiedle, R
Yamagouchi, K
TI Ultrafast Phase Transition in Vanadium Dioxide Driven by Hot-Electron
Injection
SO XVIIITH INTERNATIONAL CONFERENCE ON ULTRAFAST PHENOMENA
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 18th International Conference on Ultrafast Phenomena
CY JUL 08-13, 2012
CL Ecole Polytechnique Fed Lausanne (EPFL), Lausanne, SWITZERLAND
HO Ecole Polytechnique Fed Lausanne (EPFL)
AB We present a novel all-optical method of triggering the phase transition in vanadium dioxide by means of ballistic electrons injected across the interface between a mesh of Au nanoparticles coveringd VO2 nanoislands. By performing non-degenerate pump-probe transmission spectroscopy on this hybrid plasmonic/phase-changing nanostructure, structural and electronic dynamics can be retrieved and compared.
C1 [Appavoo, K.; Haglund, R. F., Jr.] Vanderbilt Univ, Interdisciplinary Mat Sci Program, 221 Kirkland Hall, Nashville, TN 37235 USA.
[Brady, N. F.; Hilton, D. J.] Univ Alabama Birmingham, Dept Phys, Birmingham, AL 35924 USA.
[Seo, M.; Prasankumar, R. P.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
[Nag, J.; Haglund, R. F., Jr.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA.
RP Appavoo, K (reprint author), Vanderbilt Univ, Interdisciplinary Mat Sci Program, 221 Kirkland Hall, Nashville, TN 37235 USA.
NR 6
TC 0
Z9 0
U1 0
U2 10
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0956-1
J9 EPJ WEB CONF
PY 2013
VL 41
AR UNSP 03026
DI 10.1051/epjconf/20134103026
PG 3
WC Physics, Multidisciplinary
SC Physics
GA BFM57
UT WOS:000320558600083
ER
PT S
AU Biggs, JD
Zhang, Y
Healion, D
Govind, N
Mukamel, S
AF Biggs, Jason D.
Zhang, Yu
Healion, Daniel
Govind, Niranjan
Mukamel, Shaul
BE Chergui, M
Taylor, A
Cundiff, S
DeVivieRiedle, R
Yamagouchi, K
TI Dissecting X-Ray Raman Resonances Using Four-Wave Mixing
SO XVIIITH INTERNATIONAL CONFERENCE ON ULTRAFAST PHENOMENA
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 18th International Conference on Ultrafast Phenomena
CY JUL 08-13, 2012
CL Ecole Polytechnique Fed Lausanne (EPFL), Lausanne, SWITZERLAND
HO Ecole Polytechnique Fed Lausanne (EPFL)
AB The stimulated x-ray Raman signal has been calculated for the amino acid cysteine using broadband (FWHM similar or equal to 14.2eV, 128 as) pulses tuned to the nitrogen K-edge. Peaks correspond to those valence excited states and reveal electronic Frank-Condon overlaps between canonical valence orbitals and relaxed orbitals in the presence of the core hole. The coupling between excited states with valence- and core-holes is further explored using a coherent, wave-vector matched photon echo technique, where it is possible to eliminate stimulated emission and excited-state absorption by taking the waiting time to be longer the lifetime of the core hole (similar to 7.1 fs for nitrogen).
C1 [Biggs, Jason D.; Zhang, Yu; Healion, Daniel; Mukamel, Shaul] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA.
[Govind, Niranjan] Pacific NW Natl Lab, Wiiliam R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA.
RP Biggs, JD (reprint author), Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA.
EM mukamel@uci.edu
NR 6
TC 0
Z9 0
U1 0
U2 3
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0956-1
J9 EPJ WEB CONF
PY 2013
VL 41
AR UNSP 05040
DI 10.1051/epjconf/20134105040
PG 3
WC Physics, Multidisciplinary
SC Physics
GA BFM57
UT WOS:000320558600160
ER
PT S
AU Brady, NF
Appavoo, K
Seo, M
Nag, J
Prasankumar, RP
Haglund, RF
Hilton, DJ
AF Brady, N. F.
Appavoo, K.
Seo, M.
Nag, J.
Prasankumar, R. P.
Haglund, R. F.
Hilton, D. J.
BE Chergui, M
Taylor, A
Cundiff, S
DeVivieRiedle, R
Yamagouchi, K
TI Ultrafast Dynamics of the VO2 Insulator-to-Metal Transition Observed by
Nondegenerate Pump-Probe Spectroscopy
SO XVIIITH INTERNATIONAL CONFERENCE ON ULTRAFAST PHENOMENA
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 18th International Conference on Ultrafast Phenomena
CY JUL 08-13, 2012
CL Ecole Polytechnique Fed Lausanne (EPFL), Lausanne, SWITZERLAND
HO Ecole Polytechnique Fed Lausanne (EPFL)
AB Non-degenerate pump (1.5 eV)-probe (0.4 eV) transmission spectroscopy on vanadium dioxide films grown on glass and three different sapphire substrates shows systematic variations with substrate that correlate with VO2 grain size and laser fluence. Temperature dependent measurements showed changes in the electronic response that is proportional to the metallic fraction.
C1 [Brady, N. F.; Hilton, D. J.] Univ Alabama Birmingham, Birmingham, AL 35294 USA.
[Appavoo, K.; Nag, J.; Haglund, R. F.] Vanderbilt Univ, Nashville, TN USA.
[Seo, M.; Prasankumar, R. P.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
RP Brady, NF (reprint author), Univ Alabama Birmingham, Birmingham, AL 35294 USA.
FU U.S. Department of Energy; Office of Basic Energy Sciences user facility
at Los Alamos National Laboratory [DE-AC52-06NA25396]; Sandia National
Laboratories [DE-AC04- 94AL85000]; US Dept. Education GAANN Fellowship
[P200A090143]; Office of Science; U. S. Department of Energy
[DE-FG02-01ER45916]
FX This work was performed, in part, at the Center for Integrated
Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy
Sciences user facility at Los Alamos National Laboratory (Contract
DE-AC52-06NA25396) and Sandia National Laboratories (Contract DE-AC04-
94AL85000). NFB acknowledges support from the US Dept. Education GAANN
Fellowship (P200A090143). KA, JN and RFH acknowledge support from the
Office of Science, U. S. Department of Energy (DE-FG02-01ER45916).
NR 6
TC 0
Z9 0
U1 1
U2 7
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0956-1
J9 EPJ WEB CONF
PY 2013
VL 41
AR UNSP 03006
DI 10.1051/epjconf/20134103006
PG 3
WC Physics, Multidisciplinary
SC Physics
GA BFM57
UT WOS:000320558600063
ER
PT S
AU Caviezel, A
Staub, U
Johnson, SL
Mariager, SO
Ingold, G
Mohr-Vorobeva, E
Garganourakis, M
Huang, SW
Milne, CJ
Jia, QX
Cheong, SW
Beaud, P
AF Caviezel, A.
Staub, U.
Johnson, S. L.
Mariager, S. O.
Ingold, G.
Moehr-Vorobeva, E.
Garganourakis, M.
Huang, S. W.
Milne, C. J.
Jia, Q. X.
Cheong, S. -W.
Beaud, P.
BE Chergui, M
Taylor, A
Cundiff, S
DeVivieRiedle, R
Yamagouchi, K
TI Optical and x-ray time resolved study of the structural transition in
mixed valence manganites
SO XVIIITH INTERNATIONAL CONFERENCE ON ULTRAFAST PHENOMENA
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 18th International Conference on Ultrafast Phenomena
CY JUL 08-13, 2012
CL Ecole Polytechnique Fed Lausanne (EPFL), Lausanne, SWITZERLAND
HO Ecole Polytechnique Fed Lausanne (EPFL)
ID PHASE
AB Time resolved optical reflectivity and x-ray diffraction techniques are employed to study the laser-induced structural response in two charge and orbitally ordered manganites. Optical data indicate a non-thermal nature of the laser-triggered phase transition via the disappearance of an optical phonon related to the charge and orbitally ordered phase. The x-ray diffraction measurements on superlattice reflections confirm the non-thermal time scale of the initial step of this phase transition but also show that the complete change of structural symmetry is not instantaneous.
C1 [Caviezel, A.; Staub, U.; Mariager, S. O.; Ingold, G.; Moehr-Vorobeva, E.; Garganourakis, M.; Huang, S. W.; Beaud, P.] Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland.
[Johnson, S. L.] ETH, Inst Quantum Elect, Dept Phys, CH-8093 Zurich, Switzerland.
[Milne, C. J.] Ecole Polytech Fed Lausanne, Lab Spectroscopie Ultrarapide, CH-1015 Lausanne, Switzerland.
[Jia, Q. X.] LANL, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
[Cheong, S. -W.] Rutgers State Univ, Rutgers Ctr Emergent Mat, Piscataway, NJ 08854 USA.
RP Caviezel, A (reprint author), Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland.
RI Johnson, Steven/B-3252-2008; Beaud, Paul/A-8178-2008; Milne,
Christopher/C-6883-2008; Staub, Urs/C-4914-2015
OI Johnson, Steven/0000-0001-6074-4894; Beaud, Paul/0000-0001-5028-9138;
Milne, Christopher/0000-0003-4714-9139;
NR 12
TC 0
Z9 0
U1 0
U2 22
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0956-1
J9 EPJ WEB CONF
PY 2013
VL 41
AR UNSP 03002
DI 10.1051/epjconf/20134103002
PG 3
WC Physics, Multidisciplinary
SC Physics
GA BFM57
UT WOS:000320558600059
ER
PT S
AU Coslovich, G
Huber, B
Lee, WS
Chuang, YD
Zhu, Y
Sasagawa, T
Hussain, Z
Bechtel, HA
Martin, MC
Schoenlein, RW
Shen, ZX
Kaindl, RA
AF Coslovich, G.
Huber, B.
Lee, W. -S.
Chuang, Y. -D.
Zhu, Y.
Sasagawa, T.
Hussain, Z.
Bechtel, H. A.
Martin, M. C.
Schoenlein, R. W.
Shen, Z. -X.
Kaindl, R. A.
BE Chergui, M
Taylor, A
Cundiff, S
DeVivieRiedle, R
Yamagouchi, K
TI Ultrast Mid-infrared Spectroscopy of the Charge- and Spin-Ordered
Nickelate La1.75Sr0.25NiO4
SO XVIIITH INTERNATIONAL CONFERENCE ON ULTRAFAST PHENOMENA
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 18th International Conference on Ultrafast Phenomena
CY JUL 08-13, 2012
CL Ecole Polytechnique Fed Lausanne (EPFL), Lausanne, SWITZERLAND
HO Ecole Polytechnique Fed Lausanne (EPFL)
AB We present the first ultrafast mid-infrared study of charge and spin-ordered nickelates. A sub-picosecond modulation of the optical reflectivity is observed, indicating the filling and subsequent re-establishment of the pseudogap in the time-domain.
C1 [Coslovich, G.; Huber, B.; Zhu, Y.; Schoenlein, R. W.; Kaindl, R. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Lee, W. -S.; Shen, Z. -X.] Stanford Univ, SLAC Natl Accelerator Lab, SIMES, Menlo Pk, CA 94025 USA.
[Chuang, Y. -D.; Hussain, Z.; Bechtel, H. A.; Martin, M. C.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Sasagawa, T.] Tokyo Inst Technol, Mat & Struct Lab, Kanagawa 2268503, Japan.
RP Coslovich, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
EM GCoslovich@lbl.gov
RI Schoenlein, Robert/D-1301-2014; Sasagawa, Takao/E-6666-2014
OI Schoenlein, Robert/0000-0002-6066-7566; Sasagawa,
Takao/0000-0003-0149-6696
NR 10
TC 0
Z9 0
U1 0
U2 0
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0956-1
J9 EPJ WEB CONF
PY 2013
VL 41
AR UNSP 03016
DI 10.1051/epjconf/20134103016
PG 3
WC Physics, Multidisciplinary
SC Physics
GA BFM57
UT WOS:000320558600073
ER
PT S
AU De Re, E
Schlau-Cohen, GS
Huxter, VM
Leverenz, RL
Mathies, RA
Fleming, GR
AF De Re, E.
Schlau-Cohen, G. S.
Huxter, V. M.
Leverenz, R. L.
Mathies, R. A.
Fleming, G. R.
BE Chergui, M
Taylor, A
Cundiff, S
DeVivieRiedle, R
Yamagouchi, K
TI Comparing the photophysics of the two forms of the Orange Carotenoid
Protein using 2D electronic spectroscopy
SO XVIIITH INTERNATIONAL CONFERENCE ON ULTRAFAST PHENOMENA
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 18th International Conference on Ultrafast Phenomena
CY JUL 08-13, 2012
CL Ecole Polytechnique Fed Lausanne (EPFL), Lausanne, SWITZERLAND
HO Ecole Polytechnique Fed Lausanne (EPFL)
ID CYANOBACTERIA
AB Broadband two-dimensional electronic spectroscopy is applied to investigate the photophysics of the photoactive orange carotenoid protein, which is involved in nonphotochemical quenching in cyanobacteria. Differences in dynamics between the light and dark forms arise from the different structure of the carotenoid in the protein pocket, with consequences for the biological role of the two forms.
C1 [De Re, E.; Fleming, G. R.] Univ Calif Berkeley, Appl Sci & Technol Grad Grp, Berkeley, CA 94720 USA.
[Schlau-Cohen, G. S.; Huxter, V. M.; Leverenz, R. L.; Mathies, R. A.; Fleming, G. R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[De Re, E.; Schlau-Cohen, G. S.; Huxter, V. M.; Fleming, G. R.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
RP De Re, E (reprint author), Univ Calif Berkeley, Appl Sci & Technol Grad Grp, Berkeley, CA 94720 USA.
FU Office of Science; Office of Basic Energy Sciences; U.S. Department of
Energy [DE-AC02-05CH11231, DE-AC03-76SF000098]; Division of Chemical
Sciences, Geosciences, and Biosciences
FX This work was supported by the Director, Office of Science, and Office
of Basic Energy Sciences of the U.S. Department of Energy under contract
DE-AC02-05CH11231 and by the Division of Chemical Sciences, Geosciences,
and Biosciences and Office of Basic Energy Sciences of the U.S.
Department of Energy through grant DE-AC03-76SF000098.
NR 7
TC 1
Z9 1
U1 0
U2 8
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0956-1
J9 EPJ WEB CONF
PY 2013
VL 41
AR UNSP 08008
DI 10.1051/epjconf/20134108008
PG 3
WC Physics, Multidisciplinary
SC Physics
GA BFM57
UT WOS:000320558600205
ER
PT S
AU Guggenmos, A
Hofstetter, M
Rauhut, R
Spath, C
Hertrich, S
Nickel, B
Yang, S
Gullikson, EM
Schmidt, J
Seibald, M
Schnick, W
Krausz, F
Kleineberg, U
AF Guggenmos, A.
Hofstetter, M.
Rauhut, R.
Spaeth, C.
Hertrich, S.
Nickel, B.
Yang, S.
Gullikson, E. M.
Schmidt, J.
Seibald, M.
Schnick, W.
Krausz, F.
Kleineberg, U.
BE Chergui, M
Taylor, A
Cundiff, S
DeVivieRiedle, R
Yamagouchi, K
TI Broadband multilayer mirror and diffractive optics for attosecond pulse
shaping in the 280-500 eV photon energy range
SO XVIIITH INTERNATIONAL CONFERENCE ON ULTRAFAST PHENOMENA
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 18th International Conference on Ultrafast Phenomena
CY JUL 08-13, 2012
CL Ecole Polytechnique Fed Lausanne (EPFL), Lausanne, SWITZERLAND
HO Ecole Polytechnique Fed Lausanne (EPFL)
AB Chirped broadband multilayer mirrors are key components to shape attosecond pulses in the XUV range. Compressing high harmonic pulses to their Fourier limit is the major goal for attosecond physics utilizing short pulse pump-probe experiments. Here, we report about the first implementation of multilayers and diffractive optics fulfilling these requirements in the "water-window" spectral range.
C1 [Guggenmos, A.; Hofstetter, M.; Rauhut, R.; Spaeth, C.; Schmidt, J.; Krausz, F.; Kleineberg, U.] Univ Munich, Fak Phys, Coulombwall 1, Garching, Germany.
[Guggenmos, A.; Hofstetter, M.; Krausz, F.; Kleineberg, U.] Max Plank Inst Quantenoptik, Garching, Germany.
[Hertrich, S.; Nickel, B.] Ludwig Maximilians Univ Munchen, Ctr Nanosci, Munich, Germany.
[Yang, S.; Gullikson, E. M.] Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA.
[Seibald, M.; Schnick, W.] Ludwing Maximilians Univ Munchen, Fak Chem, Munich, Germany.
RP Guggenmos, A (reprint author), Univ Munich, Fak Phys, Coulombwall 1, Garching, Germany.
RI Nickel, Bert/A-2095-2009
OI Nickel, Bert/0000-0002-0254-8841
NR 6
TC 0
Z9 0
U1 1
U2 9
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0956-1
J9 EPJ WEB CONF
PY 2013
VL 41
AR UNSP 01011
DI 10.1051/epjconf/20134101011
PG 3
WC Physics, Multidisciplinary
SC Physics
GA BFM57
UT WOS:000320558600011
ER
PT S
AU Huse, N
Van Kuiken, BE
Cho, H
Strader, ML
Kim, TK
Khalil, M
Schoenlein, RW
AF Huse, Nils
Van Kuiken, Benjamin E.
Cho, Hana
Strader, Matthew L.
Kim, Tae Kyu
Khalil, Munira
Schoenlein, Robert W.
BE Chergui, M
Taylor, A
Cundiff, S
DeVivieRiedle, R
Yamagouchi, K
TI Elucidating Charge Delocalization in the High-Spin State of aqueous
Fe-II Spin-Crossover Compounds via Time-Resolved Spectroscopy in the
X-ray Water Window
SO XVIIITH INTERNATIONAL CONFERENCE ON ULTRAFAST PHENOMENA
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 18th International Conference on Ultrafast Phenomena
CY JUL 08-13, 2012
CL Ecole Polytechnique Fed Lausanne (EPFL), Lausanne, SWITZERLAND
HO Ecole Polytechnique Fed Lausanne (EPFL)
ID COMPLEXES; DYNAMICS
AB We report the first time-resolved spectroscopy of aqueous solution in the X-ray water window. Nitrogen K-edge spectra, combined with ab initio calculations, reveal distinct charge delocalization, shedding light on the origins of ultrafast spin crossover.
C1 [Huse, Nils] Univ Hamburg, Max Planck Res Dept Struct Dynam, D-22607 Hamburg, Germany.
[Huse, Nils; Cho, Hana; Strader, Matthew L.; Schoenlein, Robert W.] Lawrence Berkeley Natl Lab, Div Chem Sci, Ultra Xray sci Lab, Berkeley, CA 94720 USA.
[Van Kuiken, Benjamin E.; Khalil, Munira] Univ Washington, Dept Chem, Seattle, WA 98195 USA.
[Cho, Hana; Kim, Tae Kyu] Pusan Natl Univ, Dept Chem, Pusan 609735, South Korea.
RP Huse, N (reprint author), Univ Hamburg, Max Planck Res Dept Struct Dynam, D-22607 Hamburg, Germany.
EM nils.huse@mpsd.cfel.de
RI Schoenlein, Robert/D-1301-2014
OI Schoenlein, Robert/0000-0002-6066-7566
NR 9
TC 0
Z9 0
U1 0
U2 5
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0956-1
J9 EPJ WEB CONF
PY 2013
VL 41
AR UNSP 05037
DI 10.1051/epjconf/20134105037
PG 3
WC Physics, Multidisciplinary
SC Physics
GA BFM57
UT WOS:000320558600157
ER
PT S
AU Huxter, VM
Oliver, TAA
Budker, D
Fleming, GR
AF Huxter, V. M.
Oliver, T. A. A.
Budker, D.
Fleming, G. R.
BE Chergui, M
Taylor, A
Cundiff, S
DeVivieRiedle, R
Yamagouchi, K
TI Vibrational and electronic ultrafast relaxation of the nitrogen-vacancy
centers in diamond
SO XVIIITH INTERNATIONAL CONFERENCE ON ULTRAFAST PHENOMENA
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 18th International Conference on Ultrafast Phenomena
CY JUL 08-13, 2012
CL Ecole Polytechnique Fed Lausanne (EPFL), Lausanne, SWITZERLAND
HO Ecole Polytechnique Fed Lausanne (EPFL)
ID DYNAMICS; SPIN
AB Two dimensional electronic spectroscopy and transient grating measurements were performed, for the first time, on nitrogen-vacancy centers in diamond. These measurements reveal energy transfer and vibrational pathways with consequences for spin coherence.
C1 [Huxter, V. M.; Oliver, T. A. A.; Fleming, G. R.] Univ Calif Berkeley, Dept Chem, Berkeley & Phys Biosci Div, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Budker, D.] Univ Calif Berkeley, Dept Phys, Berkeley & Nucl Sci Div, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Huxter, VM (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley & Phys Biosci Div, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RI Budker, Dmitry/F-7580-2016
OI Budker, Dmitry/0000-0002-7356-4814
FU National Science and Engineering Research Council of Canada for a
postdoctoral fellowship; NSF [CHE-1012168]; IMOD; AFOSR/DARPA QuASAR
program
FX The authors thank Adam Gali for suggesting ultrafast measurements with
NV-diamond and Andrey Jarmola for preparing the NV-diamond sample.
V.M.H. thanks the National Science and Engineering Research Council of
Canada for a postdoctoral fellowship. D.B. was supported by NSF, IMOD,
and the AFOSR/DARPA QuASAR program. The work by V.M.H., T.A.A.O. and
G.R.F. was supported by NSF grant CHE-1012168.
NR 9
TC 0
Z9 0
U1 1
U2 9
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0956-1
J9 EPJ WEB CONF
PY 2013
VL 41
AR UNSP 04009
DI 10.1051/epjconf/20134104009
PG 3
WC Physics, Multidisciplinary
SC Physics
GA BFM57
UT WOS:000320558600092
ER
PT S
AU Koralek, JD
Yang, L
Tibbetts, DR
Reno, JL
Lilly, MP
Orenstein, J
AF Koralek, J. D.
Yang, L.
Tibbetts, D. R.
Reno, J. L.
Lilly, M. P.
Orenstein, J.
BE Chergui, M
Taylor, A
Cundiff, S
DeVivieRiedle, R
Yamagouchi, K
TI Doppler velocimetry of spin and charge currents in the 2D Fermi gas
SO XVIIITH INTERNATIONAL CONFERENCE ON ULTRAFAST PHENOMENA
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 18th International Conference on Ultrafast Phenomena
CY JUL 08-13, 2012
CL Ecole Polytechnique Fed Lausanne (EPFL), Lausanne, SWITZERLAND
HO Ecole Polytechnique Fed Lausanne (EPFL)
ID 2-DIMENSIONAL ELECTRON-GAS
AB Phase-sensitive transient grating spectroscopy was used to measure the Doppler shift of light diffracted off moving spin and charge density waves, allowing complete characterization of spin and charge transport in the 2D Fermi gas.
C1 [Koralek, J. D.; Yang, L.; Orenstein, J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Yang, L.; Orenstein, J.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Tibbetts, D. R.; Reno, J. L.; Lilly, M. P.] Sandia Natl Labs, Albuquerque, NM 87123 USA.
RP Koralek, JD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RI Orenstein, Joseph/I-3451-2015
NR 5
TC 0
Z9 0
U1 0
U2 5
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0956-1
J9 EPJ WEB CONF
PY 2013
VL 41
AR UNSP 03017
DI 10.1051/epjconf/20134103017
PG 2
WC Physics, Multidisciplinary
SC Physics
GA BFM57
UT WOS:000320558600074
ER
PT S
AU Lawrie, BJ
Mu, R
Haglund, RF
AF Lawrie, B. J.
Mu, R.
Haglund, R. F., Jr.
BE Chergui, M
Taylor, A
Cundiff, S
DeVivieRiedle, R
Yamagouchi, K
TI Ultrafast Surface-Plasmon Enhancement of Exciton and Defect Luminescence
in ZnO Thin Films
SO XVIIITH INTERNATIONAL CONFERENCE ON ULTRAFAST PHENOMENA
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 18th International Conference on Ultrafast Phenomena
CY JUL 08-13, 2012
CL Ecole Polytechnique Fed Lausanne (EPFL), Lausanne, SWITZERLAND
HO Ecole Polytechnique Fed Lausanne (EPFL)
AB Femtosecond pump-probe and photoluminescence measurements in transmission and reflection show that ultraviolet band-edge and visible defect luminescence in ZnO films can be selectively enhanced by coupling to Ag surface-plasmon polaritons or localized surface plasmon resonances.
C1 [Lawrie, B. J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Lawrie, BJ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RI Lawrie, Benjamin/B-7182-2016
OI Lawrie, Benjamin/0000-0003-1431-066X
NR 5
TC 0
Z9 0
U1 0
U2 14
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0956-1
J9 EPJ WEB CONF
PY 2013
VL 41
AR UNSP 04016
DI 10.1051/epjconf/20134104016
PG 3
WC Physics, Multidisciplinary
SC Physics
GA BFM57
UT WOS:000320558600099
ER
PT S
AU Li, T
Patz, A
Yan, J
Lograsso, TA
Perakis, IE
Wang, J
AF Li, T.
Patz, A.
Yan, J.
Lograsso, T. A.
Perakis, I. E.
Wang, J.
BE Chergui, M
Taylor, A
Cundiff, S
DeVivieRiedle, R
Yamagouchi, K
TI Photoinduced femtosecond formation of ferromagnetism in a strongly
correlated antiferromagentic manganite
SO XVIIITH INTERNATIONAL CONFERENCE ON ULTRAFAST PHENOMENA
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 18th International Conference on Ultrafast Phenomena
CY JUL 08-13, 2012
CL Ecole Polytechnique Fed Lausanne (EPFL), Lausanne, SWITZERLAND
HO Ecole Polytechnique Fed Lausanne (EPFL)
ID PULSES
AB We report a pump threshold behavior in fs photoinduced magnetization in a strongly correlated manganite, which indicates the establishment of thermally-inaccessible ferromagnetic ground state and build-up of new magnetic order parameters at fs time scales.
C1 [Li, T.; Patz, A.; Yan, J.; Lograsso, T. A.; Wang, J.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
[Li, T.; Patz, A.; Wang, J.] Ames Lab, USDOE, Ames, IA USA.
[Perakis, I. E.] Univ Crete, Dept Phys, Iraklion, Greece.
RP Li, T (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
RI Li, Tianqi/C-5142-2014
OI Li, Tianqi/0000-0002-5238-8540
FU National Science Foundation [DMR-1055352]; U.S. Department of
Energy-Basic Energy Sciences [DE-AC02-7CH11358]
FX This work was also supported by the National Science Foundation Contract
No. DMR-1055352. Material synthesis at the Ames Laboratory was supported
by the U.S. Department of Energy-Basic Energy Sciences under Contract
No. DE-AC02-7CH11358
NR 8
TC 0
Z9 0
U1 0
U2 3
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0956-1
J9 EPJ WEB CONF
PY 2013
VL 41
AR UNSP 03004
DI 10.1051/epjconf/20134103004
PG 3
WC Physics, Multidisciplinary
SC Physics
GA BFM57
UT WOS:000320558600061
ER
PT S
AU Patz, A
Li, T
Ran, S
Bud'ko, S
Canfield, P
Wang, J
AF Patz, A.
Li, T.
Ran, S.
Bud'ko, S.
Canfield, P.
Wang, J.
BE Chergui, M
Taylor, A
Cundiff, S
DeVivieRiedle, R
Yamagouchi, K
TI Photoinduced femtosecond relaxation of antiferromagnetic orders in the
iron pnictides revealed by ultrafast laser ellipsometry
SO XVIIITH INTERNATIONAL CONFERENCE ON ULTRAFAST PHENOMENA
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 18th International Conference on Ultrafast Phenomena
CY JUL 08-13, 2012
CL Ecole Polytechnique Fed Lausanne (EPFL), Lausanne, SWITZERLAND
HO Ecole Polytechnique Fed Lausanne (EPFL)
AB We report ultrafast softening of the antiferromagnetic order, similar to 150fs after the electron thermalization, which follows a two-step recovery pathway to reveal a distinct interplay of magnetism and the nematic order in iron pnictides.
C1 [Patz, A.; Li, T.; Ran, S.; Bud'ko, S.; Canfield, P.; Wang, J.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
RP Patz, A (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
RI Li, Tianqi/C-5142-2014
OI Li, Tianqi/0000-0002-5238-8540
NR 3
TC 0
Z9 0
U1 1
U2 5
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0956-1
J9 EPJ WEB CONF
PY 2013
VL 41
AR UNSP 03011
DI 10.1051/epjconf/20134103011
PG 3
WC Physics, Multidisciplinary
SC Physics
GA BFM57
UT WOS:000320558600068
ER
PT S
AU Perkins, BG
Hwang, HY
Grady, NK
Yan, L
Trugman, D
Jia, Q
Chen, HT
Taylor, AJ
Nelson, KA
AF Perkins, B. G., Jr.
Hwang, H. Y.
Grady, N. K.
Yan, L.
Trugman, D.
Jia, Q.
Chen, H. T.
Taylor, A. J.
Nelson, K. A.
BE Chergui, M
Taylor, A
Cundiff, S
DeVivieRiedle, R
Yamagouchi, K
TI Nonlinear ultrafast dynamics of high temperature YBa2Cu3O7-delta
superconductors probed with THz pump / THz probe spectroscopy
SO XVIIITH INTERNATIONAL CONFERENCE ON ULTRAFAST PHENOMENA
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 18th International Conference on Ultrafast Phenomena
CY JUL 08-13, 2012
CL Ecole Polytechnique Fed Lausanne (EPFL), Lausanne, SWITZERLAND
HO Ecole Polytechnique Fed Lausanne (EPFL)
ID QUASI-PARTICLE DYNAMICS
AB High power THz pulses induce near transparency in superconductive YBCO thin films below the critical temperature. THz pump/THz probe measurements reveal a decay of the induced transparency on the time scale of a few picoseconds.
C1 [Perkins, B. G., Jr.; Hwang, H. Y.; Nelson, K. A.] MIT, Dept Chem, Cambridge, MA 02139 USA.
[Grady, N. K.; Yan, L.; Trugman, D.; Jia, Q.; Chen, H. T.; Taylor, A. J.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
RP Perkins, BG (reprint author), MIT, Dept Chem, Cambridge, MA 02139 USA.
OI Chen, Hou-Tong/0000-0003-2014-7571
FU ONR [N00014-09-1-1103]; NSF American Competitiveness in Chemistry
Fellowship [1041979]; LANL/LDRD program; Center for Integrated
Nanotechnologies; U.S. Department of Energy; Office of Basic Energy
Sciences; Los Alamos National Security; LLC; National Nuclear Security
Administration of the U.S. Department of Energy [DE-AC52-06NA25396]
FX Funding for this work is provided by ONR grant N00014-09-1-1103 and NSF
American Competitiveness in Chemistry Fellowship 1041979. We acknowledge
partial support from LANL/LDRD program. Additionally, this work was
performed, in part, at the Center for Integrated Nanotechnologies, a
U.S. Department of Energy, Office of Basic Energy Sciences user
facility. 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 8
TC 0
Z9 0
U1 0
U2 4
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0956-1
J9 EPJ WEB CONF
PY 2013
VL 41
AR UNSP 03010
DI 10.1051/epjconf/20134103010
PG 3
WC Physics, Multidisciplinary
SC Physics
GA BFM57
UT WOS:000320558600067
ER
PT S
AU Seo, MA
Yoo, J
Perea, DE
Dayeh, SA
Picraux, ST
Taylor, AJ
Prasankumar, RP
AF Seo, M. A.
Yoo, J.
Perea, D. E.
Dayeh, S. A.
Picraux, S. T.
Taylor, A. J.
Prasankumar, R. P.
BE Chergui, M
Taylor, A
Cundiff, S
DeVivieRiedle, R
Yamagouchi, K
TI Tracking Ultrafast Carrier Dynamics in Single Semiconductor Nanowire
Heterostructures
SO XVIIITH INTERNATIONAL CONFERENCE ON ULTRAFAST PHENOMENA
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 18th International Conference on Ultrafast Phenomena
CY JUL 08-13, 2012
CL Ecole Polytechnique Fed Lausanne (EPFL), Lausanne, SWITZERLAND
HO Ecole Polytechnique Fed Lausanne (EPFL)
AB An understanding of non-equilibrium carrier dynamics in silicon (Si) nanowires (NWs) and NW heterostructures is very important due to their many nanophotonic and nanoelectronics applications. Here, we describe the first measurements of ultrafast carrier dynamics and diffusion in single heterostructured Si nanowires, obtained using ultrafast optical microscopy. By isolating individual nanowires, we avoid complications resulting from the broad size and alignment distribution in nanowire ensembles, allowing us to directly probe ultrafast carrier dynamics in these quasi-one-dimensional systems. Spatially-resolved pump-probe spectroscopy demonstrates the influence of surface-mediated mechanisms on carrier dynamics in a single NW, while polarization-resolved femtosecond pump-probe spectroscopy reveals a clear anisotropy in carrier lifetimes measured parallel and perpendicular to the NW axis, due to density-dependent Auger recombination. Furthermore, separating the pump and probe spots along the NW axis enabled us to track space and time dependent carrier diffusion in radial and axial NW heterostructures. These results enable us to reveal the influence of radial and axial interfaces on carrier dynamics and charge transport in these quasi-one-dimensional nanosystems, which can then be used to tailor carrier relaxation in a single nanowire heterostructure for a given application.
C1 [Seo, M. A.; Yoo, J.; Perea, D. E.; Dayeh, S. A.; Picraux, S. T.; Taylor, A. J.; Prasankumar, R. P.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
RP Seo, MA (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA.
NR 5
TC 0
Z9 0
U1 2
U2 9
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0956-1
J9 EPJ WEB CONF
PY 2013
VL 41
AR UNSP 04030
DI 10.1051/epjconf/20134104030
PG 3
WC Physics, Multidisciplinary
SC Physics
GA BFM57
UT WOS:000320558600113
ER
PT S
AU Sheu, YM
Trugman, SA
Xiong, J
Park, YS
Lee, S
Yi, HT
Cheong, SW
Jia, QX
Taylor, AJ
Prasankumar, RP
AF Sheu, Y. M.
Trugman, S. A.
Xiong, J.
Park, Y. -S.
Lee, S.
Yi, H. T.
Cheong, S. -W.
Jia, Q. X.
Taylor, A. J.
Prasankumar, R. P.
BE Chergui, M
Taylor, A
Cundiff, S
DeVivieRiedle, R
Yamagouchi, K
TI Ultrafast carrier dynamics and radiative recombination in multiferroic
BiFeO3 single crystals and thin films
SO XVIIITH INTERNATIONAL CONFERENCE ON ULTRAFAST PHENOMENA
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 18th International Conference on Ultrafast Phenomena
CY JUL 08-13, 2012
CL Ecole Polytechnique Fed Lausanne (EPFL), Lausanne, SWITZERLAND
HO Ecole Polytechnique Fed Lausanne (EPFL)
AB We report a detailed comparison of ultrafast carrier dynamics in single crystals and thin films of multiferroic BiFeO3 (BFO). Using degenerate femtosecond optical pump-probe spectroscopy, we find that the observed dynamics are qualitatively similar in both samples. After photoexcitation, electrons relax to the conduction band minimum through electron-phonon coupling, with subsequent carrier relaxation proceeding via various recombination pathways that extend to a nanosecond timescale. Subtle differences observed in our measurements indicate that BFO films have a higher band gap than single crystals. Overall, our results demonstrate that carrier relaxation in BFO is analogous to that in bulk semiconductors.
C1 [Sheu, Y. M.; Trugman, S. A.; Xiong, J.; Park, Y. -S.; Jia, Q. X.; Taylor, A. J.; Prasankumar, R. P.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, MS K771, Los Alamos, NM 87545 USA.
[Lee, S.] Korea Atom Energy Res Inst, Taejon 305353, South Korea.
[Yi, H. T.; Cheong, S. -W.] Rutgers State Univ, Rutgers Ctr Emergent Mat, Dept Phys & Astron, Piscataway, NJ 08854 USA.
RP Sheu, YM (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, MS K771, Los Alamos, NM 87545 USA.
OI Trugman, Stuart/0000-0002-6688-7228
NR 7
TC 0
Z9 0
U1 1
U2 18
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0956-1
J9 EPJ WEB CONF
PY 2013
VL 41
AR UNSP 03018
DI 10.1051/epjconf/20134103018
PG 3
WC Physics, Multidisciplinary
SC Physics
GA BFM57
UT WOS:000320558600075
ER
PT S
AU Tobey, RI
Wall, S
Forst, M
Bromberger, H
Khanna, V
Turner, JJ
Schlotter, W
Trigo, M
Krupin, O
Lee, WS
Chuang, YD
Moore, R
Cavalieri, AL
Wilkins, SB
Zeng, H
Mitchell, JF
Dhesi, SS
Cavalleri, A
Hill, JP
AF Tobey, R. I.
Wall, S.
Foerst, M.
Bromberger, H.
Khanna, V.
Turner, J. J.
Schlotter, W.
Trigo, M.
Krupin, O.
Lee, W. S.
Chuang, Y. -D.
Moore, R.
Cavalieri, A. L.
Wilkins, S. B.
Zeng, H.
Mitchell, J. F.
Dhesi, S. S.
Cavalleri, A.
Hill, J. P.
BE Chergui, M
Taylor, A
Cundiff, S
DeVivieRiedle, R
Yamagouchi, K
TI Measuring 3D magnetic correlations during the photo-induced melting of
electronic order in La0.5Sr1.5MnO4
SO XVIIITH INTERNATIONAL CONFERENCE ON ULTRAFAST PHENOMENA
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 18th International Conference on Ultrafast Phenomena
CY JUL 08-13, 2012
CL Ecole Polytechnique Fed Lausanne (EPFL), Lausanne, SWITZERLAND
HO Ecole Polytechnique Fed Lausanne (EPFL)
AB Time-resolved x-ray diffraction measures the dynamics of antiferromagnetic correlations by reconstructing the reciprocal-space scattering volume for the magnetic Bragg peak. Modifications in the scattering line shape along the three principal reciprocal lattice directions are measured.
C1 [Tobey, R. I.] Univ Groningen, Zernike Inst Adv Mat, NL-9747 AG Groningen, Netherlands.
[Tobey, R. I.; Wilkins, S. B.; Hill, J. P.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA.
[Wall, S.] Max Planck Gesell, Fritz Haber Inst, Berlin, Germany.
[Foerst, M.; Bromberger, H.; Khanna, V.; Cavalieri, A. L.] Univ Hamburg, Ctr Free Electron Laser Sci, Max Planck Dept Struct Dynam, Hamburg, Germany.
[Khanna, V.; Dhesi, S. S.] Diamond Light Source, Oxford OX11 0DE, England.
[Khanna, V.; Cavalleri, A.] Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 2JD, England.
[Turner, J. J.; Schlotter, W.; Krupin, O.] SLAC Natl Accelerator Lab, PULSE Inst, Menlo Pk, CA 94025 USA.
[Trigo, M.] SLAC Natl Accelerator Lab, PULSE Inst, Menlo Pk, CA 94025 USA.
[Krupin, O.] European XFEL GmbH, Hamburg, Germany.
[Lee, W. S.; Moore, R.] SLAC Natl Accelerator Lab, SIMES, Menlo Pk, CA 94025 USA.
[Chuang, Y. -D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Zeng, H.; Mitchell, J. F.] Argonne Natl Lab, Dept Mat Sci, Argonne, IL 69439 USA.
RP Tobey, RI (reprint author), Univ Groningen, Zernike Inst Adv Mat, NL-9747 AG Groningen, Netherlands.
OI Wall, Simon/0000-0002-6136-0224
NR 5
TC 0
Z9 0
U1 0
U2 9
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0956-1
J9 EPJ WEB CONF
PY 2013
VL 41
AR UNSP 03003
DI 10.1051/epjconf/20134103003
PG 3
WC Physics, Multidisciplinary
SC Physics
GA BFM57
UT WOS:000320558600060
ER
PT S
AU Zaks, J
Sun, J
Kirmayer, S
Urban, JJ
Tilley, TD
Segalman, RA
Fleming, GR
AF Zaks, J.
Sun, J.
Kirmayer, S.
Urban, J. J.
Tilley, T. D.
Segalman, R. A.
Fleming, G. R.
BE Chergui, M
Taylor, A
Cundiff, S
DeVivieRiedle, R
Yamagouchi, K
TI Effect of bridge on energy transfer and photoinduced charge sepration in
perylene-diimide-naphthalene-bisimide-hexathiophene based
donor-bridge-acceptor triads
SO XVIIITH INTERNATIONAL CONFERENCE ON ULTRAFAST PHENOMENA
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 18th International Conference on Ultrafast Phenomena
CY JUL 08-13, 2012
CL Ecole Polytechnique Fed Lausanne (EPFL), Lausanne, SWITZERLAND
HO Ecole Polytechnique Fed Lausanne (EPFL)
AB Femtosecond transient absorption spectroscopy is performed to assess bridge effects on energy transfer and charge separation in molecular junctions. A short, conjugated bridge can facilitate charge separation from both donor and acceptor, whereas in longer bridges charge separation only occurs from the excited donor.
C1 [Zaks, J.; Segalman, R. A.; Fleming, G. R.] Univ Calif Berkeley, Appl Sci & Technol Grad Grp, Berkeley, CA 94720 USA.
[Sun, J.; Tilley, T. D.; Fleming, G. R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Sun, J.; Kirmayer, S.; Segalman, R. A.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Zaks, J.; Fleming, G. R.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA USA.
[Kirmayer, S.; Urban, J. J.; Segalman, R. A.] Lawrence Berkeley Natl Lab, Mat Sci Div, Mol Foundry, Berkeley, CA USA.
RP Zaks, J (reprint author), Univ Calif Berkeley, Appl Sci & Technol Grad Grp, Berkeley, CA 94720 USA.
FU Helios Solar Energy Research Center; Director, Office of Science, Office
of Basic Energy Sciences of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX We thank Dr. Ying-Zhong Ma and Dr. Matthew Graham for assistance with
the experimental apparatus. This work was funded by the Helios Solar
Energy Research Center, 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.
NR 9
TC 0
Z9 0
U1 0
U2 10
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0956-1
J9 EPJ WEB CONF
PY 2013
VL 41
AR UNSP 05011
DI 10.1051/epjconf/20134105011
PG 3
WC Physics, Multidisciplinary
SC Physics
GA BFM57
UT WOS:000320558600131
ER
PT S
AU Lorenzo-Martin, C
Ajayi, OO
Torrel, S
Demas, N
Fenske, GR
AF Lorenzo-Martin, C.
Ajayi, O. O.
Torrel, S.
Demas, N.
Fenske, G. R.
BE Zhu, D
Lin, HT
Zhou, Y
Hwang, T
Halbig, M
Mathur, S
TI EFFECT OF HARD THIN FILM COATINGS ON TRIBOCHEMICAL FILM BEHAVIOR UNDER
LUBRICATED SLIDING CONTACT
SO ADVANCED CERAMIC COATINGS AND MATERIALS FOR EXTREME ENVIRONMENTS II
SE Ceramic Engineering and Science Proceedings
LA English
DT Proceedings Paper
CT 36th International Conference and Expo on Advanced Ceramics and
Composites
CY JAN 22-27, 2012
CL Daytona Beach, FL
SP Amer Ceram Soc (ACerS), Amer Ceram Soc (ACerS), Engn Ceram Div (ECD)
ID DIAMOND-LIKE CARBON; SURFACES
AB Most of tribological components such as gears and bearings which are engaged in sliding or rolling contacts are made of ferrous materials. In order to reduce friction and wear, lubricants are usually applied to components. The lubricants are normally formulated with functional additives such as anti-wear, friction modifier, anti-oxidant, etc. These additives react with the ferrous materials surface to form tribochemical surface films. A variety of hard thin-film coatings are increasingly being used in tribological components. These coatings can enhance the friction and wear behavior of the components. The impacts of thin film coatings on surface reactions by lubricant additives, and hence their effectiveness in reducing friction and wear is currently unclear. In this study, we evaluated the friction and wear behavior of several commercially available thin-film ceramic coatings when lubricated with unformulated and fully formulated synthetic oils. In tests with unformulated lubricant, friction coefficient behavior is similar to the uncoated steel. While in tests with fully formulated lubricants, a variety of behaviors were observed for different coatings. These behaviors are explained in terms of the differences in tribochemical film formation and properties on the coatings surfaces.
C1 [Lorenzo-Martin, C.; Ajayi, O. O.; Torrel, S.; Demas, N.; Fenske, G. R.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA.
RP Lorenzo-Martin, C (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA.
NR 7
TC 0
Z9 0
U1 0
U2 1
PU AMER CERAMIC SOC
PI WESTERVILLE
PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA
SN 0196-6219
BN 978-1-118-21747-4
J9 CERAM ENG SCI PROC
PY 2013
BP 47
EP 55
PG 9
WC Materials Science, Ceramics
SC Materials Science
GA BFK97
UT WOS:000320335000005
ER
PT J
AU Chavez, DE
Hanson, SK
Veauthier, JM
Parrish, DA
AF Chavez, David E.
Hanson, Susan K.
Veauthier, Jacqueline M.
Parrish, Damon A.
TI Electroactive Explosives: Nitrate Ester-Functionalized
1,2,4,5-Tetrazines
SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
LA English
DT Article
DE electroactive compounds; explosives; fluorescence; heterocycles;
tetrazines
ID S-TETRAZINES; MOLECULES; FLUORESCENCE; PETN
C1 [Chavez, David E.; Hanson, Susan K.; Veauthier, Jacqueline M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Parrish, Damon A.] Naval Res Lab, Struct Matter Lab, Washington, DC 20375 USA.
RP Chavez, DE (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM dechavez@lanl.gov
OI Veauthier, Jacqueline/0000-0003-2206-7786
FU DOE Science Campaign 2; U.S. Department of Energy [DE-AC52-06A25396];
Office of Naval Research [N00014-11-AF-0-0002]
FX The authors would like to thank the DOE Science Campaign 2 for funding,
Anna Giambra, Daniel Preston, Mary Sandstrom, Jose Archuleta for
performing the sensitivity characterization and testing, and David
Morris for helpful discussions. Los Alamos National Laboratory is
operated by Los Alamos National Security (LANS, LLC) under contract No.
DE-AC52-06A25396 for the U.S. Department of Energy. The authors also
thank the Office of Naval Research (Award No. N00014-11-AF-0-0002).
NR 28
TC 25
Z9 26
U1 0
U2 32
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY
SN 1433-7851
EI 1521-3773
J9 ANGEW CHEM INT EDIT
JI Angew. Chem.-Int. Edit.
PY 2013
VL 52
IS 27
BP 6876
EP 6879
DI 10.1002/anie.201302128
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA 169JS
UT WOS:000320776900010
PM 23681779
ER
PT J
AU Gong, Y
Hu, HS
Tian, GX
Rao, LF
Li, J
Gibson, JK
AF Gong, Yu
Hu, Han-Shi
Tian, Guoxin
Rao, Linfeng
Li, Jun
Gibson, John K.
TI A Tetrapositive Metal Ion in the Gas Phase: Thorium(IV) Coordinated by
Neutral Tridentate Ligands
SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
LA English
DT Article
DE actinides; density functional calculations; gas-phase chemistry; mass
spectrometry; polycations
ID MULTIPLY-CHARGED IONS; ACTINIDE SEPARATIONS; COMPLEXES; TRICATIONS;
GENERATION; REACTIVITY; STABILITY; CHEMISTRY; PLUTONYL; HYDROLYSIS
C1 [Gong, Yu; Tian, Guoxin; Rao, Linfeng; Gibson, John K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Hu, Han-Shi; Li, Jun] Tsinghua Univ, Dept Chem, Beijing, Peoples R China.
[Hu, Han-Shi; Li, Jun] Tsinghua Univ, Lab Organ Optoelect & Mol Engn, Minist Educ, Beijing, Peoples R China.
[Li, Jun] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA.
RP Li, J (reprint author), Tsinghua Univ, Dept Chem, Beijing, Peoples R China.
EM junli.thu@gmail.com; jkgibson@lbl.gov
RI Li, Jun/E-5334-2011
OI Li, Jun/0000-0002-8456-3980
FU U.S. Department of Energy, Office of Basic Energy Sciences, Heavy
Element Chemistry, at LBNL [DE-AC02-05CH11231]; U.S. Department of
Energy, Office of Basic Energy Sciences, Heavy Element Chemistry, at
PNNL [DE-AC05-76RL01830]; NSFC of China [20933003, 91026003]
FX This work was supported by the U.S. Department of Energy, Office of
Basic Energy Sciences, Heavy Element Chemistry, at LBNL under Contract
No. DE-AC02-05CH11231 (Y.G., G. T., L. R., J.K.G.) and at PNNL under
Contract No. DE-AC05-76RL01830 (J.L.). The theoretical work by H. S. H.
and J.L. was also supported by NSFC (20933003 and 91026003) of China.
The calculations were done using Tsinghua National Laboratory for
Information Science and Technology and the Molecular Science Computing
capability at the EMSL, a National scientific user facility located at
the PNNL, operated for the Department of Energy by Battelle.
NR 49
TC 12
Z9 13
U1 3
U2 47
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY
SN 1433-7851
J9 ANGEW CHEM INT EDIT
JI Angew. Chem.-Int. Edit.
PY 2013
VL 52
IS 27
BP 6885
EP 6888
DI 10.1002/anie.201302212
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA 169JS
UT WOS:000320776900012
PM 23650148
ER
PT J
AU Cassata, WS
Renne, PR
AF Cassata, William S.
Renne, Paul R.
TI Kinetics of argon diffusion in calcite
SO CHEMIE DER ERDE-GEOCHEMISTRY
LA English
DT Article
DE Diffusion; Calcite; Noble gas; Argon; Cosmogenic
ID NOBLE-GASES; THERMOCHRONOMETRY; MINERALS; PYROXENE
AB Here we present results of detailed diffusion experiments on Ar-37 in laser-heated calcite crystals. The data define linear Arrhenius arrays that yield an average apparent activation energy of 417.4 +/- 4.3 kJ/mol and average frequency factor of 43.2 +/- 0.6 ln(s(-1)), which correspond to a closure temperature of 385 +/- 2 degrees C (for a 10 degrees C/Ma cooling rate). These results indicate that calcite quantitatively retains trapped atmospheric and in situ produced cosmogenic argon at Earth surface and upper crustal temperatures over geologic time. Furthermore, these are the first reported data on argon diffusion in a rhombohedral or carbonate mineral, an important constraint on models of noble gas diffusion kinetics in crystalline materials. 0 2012 Elsevier GmbH. All rights reserved.
C1 [Cassata, William S.; Renne, Paul R.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.
[Cassata, William S.; Renne, Paul R.] Berkeley Geochronol Ctr, Berkeley, CA 94709 USA.
RP Cassata, WS (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
EM cassata2@llnl.gov; prenne@bgc.org
NR 21
TC 0
Z9 0
U1 1
U2 12
PU ELSEVIER GMBH, URBAN & FISCHER VERLAG
PI JENA
PA OFFICE JENA, P O BOX 100537, 07705 JENA, GERMANY
SN 0009-2819
J9 CHEM ERDE-GEOCHEM
JI Chem Erde-Geochem.
PY 2013
VL 73
IS 1
BP 113
EP 115
DI 10.1016/j.chemer.2012.10.001
PG 3
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA 173MK
UT WOS:000321083400008
ER
PT J
AU Kim, EH
Johnson, JR
Lee, DH
Pyo, YS
AF Kim, Eun-Hwa
Johnson, Jay R.
Lee, Dong-Hun
Pyo, Yoo Surn
TI Field-line resonance structures in Mercury's multi-ion magnetosphere
SO EARTH PLANETS AND SPACE
LA English
DT Article; Proceedings Paper
CT Workshop on Physical Processes in NonUniform Finite Magnetospheric
Systems
CY SEP 12-15, 2011
CL Fukuoka, JAPAN
DE Mercury; field line resonance; wave absorption; multi-ion effects; ULF
waves
ID ULF WAVES; MESSENGER OBSERVATIONS; MAGNETIC-FIELD; FREQUENCY; EXOSPHERE;
PLASMAS
AB Recently, MESSENGER spacecraft detected transverse waves at Mercury's inner magnetosphere. The magnetic field fluctuations of theses waves are approximately perpendicular to the gradient of magnetic field magnitude which is similar to the field-line resonance characteristics predicted by numerical simulations in two-ion plasmas. In this paper, we perform a wave simulation in a three-ion plasma to consider the effect of multiple heavy ions at Mercury. Because recently observed wave frequencies are near the He+, He2+ and H+, we adopt multi-ion plasmas that contain H+, He2+, and He+. The simulation results show that several resonant waves between the ion gyrofrequencies can occur at the same location and also show the modulation of amplitude in time histories. Therefore, the simulation results suggest that it could be possible to observe two or three different resonant frequencies at certain locations in Mercury's magnetosphere.
C1 [Kim, Eun-Hwa; Johnson, Jay R.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Lee, Dong-Hun] Kyung Hee Univ, Sch Space Res, Yongin 449701, Gyeonggi, South Korea.
[Lee, Dong-Hun; Pyo, Yoo Surn] Kyung Hee Univ, Sch Space Res, Dept Astron & Space Sci, Yongin 449701, Gyeonggi, South Korea.
RP Kim, EH (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
EM ehkim@pppl.gov
FU NASA [NNH09AM53I, NNH09AK63I, NNH11AQ46I]; NSF [ATM0902730]; DOE
[DE-AC02-09CH11466]; WCU program through NRF; MEST of Korea [R31-10016];
[KRF-2008-31-C00375]
FX The work at the Princeton University was supported by NASA grants
(NNH09AM53I, NNH09AK63I, and NNH11AQ46I), NSF grant ATM0902730, and DOE
contract DE-AC02-09CH11466. The work at the Kyung Hee University was
supported by KRF-2008-31-C00375 and the WCU program through NRF funded
by MEST of Korea (R31-10016). Eun-Hwa Kim thanks to Peter Damiano for
useful discussions.
NR 24
TC 5
Z9 5
U1 0
U2 8
PU SPRINGER HEIDELBERG
PI HEIDELBERG
PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY
SN 1880-5981
J9 EARTH PLANETS SPACE
JI Earth Planets Space
PY 2013
VL 65
IS 5
BP 447
EP 451
DI 10.5047/eps.2012.08.004
PG 5
WC Geosciences, Multidisciplinary
SC Geology
GA 171MS
UT WOS:000320934100007
ER
PT J
AU Zhang, HF
Parikh, HM
Bapat, J
Lin, YH
Surratt, JD
Kamens, RM
AF Zhang, Haofei
Parikh, Harshal M.
Bapat, Jyoti
Lin, Ying-Hsuan
Surratt, Jason D.
Kamens, Richard M.
TI Modelling of secondary organic aerosol formation from isoprene
photooxidation chamber studies using different approaches
SO ENVIRONMENTAL CHEMISTRY
LA English
DT Article
DE gas-particle partitioning; isoprene-derived epoxides; kinetic models;
reactive uptake
ID VOLATILITY BASIS-SET; AQUEOUS-PHASE; SOA FORMATION; 2-METHYLGLYCERIC
ACID; CHEMICAL-COMPOSITION; RELATIVE-HUMIDITY; KINETIC MECHANISM;
MASS-SPECTROMETRY; NATURAL SUNLIGHT; UNITED-STATES
AB Secondary organic aerosol (SOA) formation from the photooxidation of isoprene was simulated against smog chamber experiments with varied concentrations of isoprene, nitrogen oxides (NOx = NO + NO2) and ammonium sulfate seed aerosols. A semi-condensed gas-phase isoprene chemical mechanism (ISO-UNC) was coupled with different aerosol-phase modelling frameworks to simulate SOA formation, including: (1) the Odum two-product approach, (2) the 1-D volatility basis-set (VBS) approach and (3) a new condensed kinetic model based upon the gas-particle partitioning theory and reactive uptake processes. The first two approaches are based upon empirical parameterisations from previous studies. The kinetic model uses a gas-phase mechanism to explicitly predict the major intermediate precursors, namely the isoprene-derived epoxides, and hence simulate SOA formation. In general, they all tend to significantly over predict SOA formation when semivolatile concentrations are higher because more semivolatiles are forced to produce SOA in the models to maintain gas-particle equilibrium; yet the data indicate otherwise. Consequently, modified dynamic parameterised models, assuming non-equilibrium partitioning, were incorporated and could improve the model performance. In addition, the condensed kinetic model was expanded by including an uptake limitation representation so that reactive uptake processes slow down or even stop; this assumes reactive uptake reactions saturate seed aerosols. The results from this study suggest that isoprene SOA formation by reactive uptake of gas-phase precursors is likely limited by certain particle-phase features, and at high gas-phase epoxide levels, gas-particle equilibrium is not obtained. The real cause of the limitation needs further investigation; however, the modified kinetic model in this study could tentatively be incorporated in large-scale SOA models given its predictive ability.
C1 [Zhang, Haofei; Parikh, Harshal M.; Bapat, Jyoti; Lin, Ying-Hsuan; Surratt, Jason D.; Kamens, Richard M.] Univ N Carolina, Dept Environm Sci & Engn, Gillings Sch Global Publ Hlth, Chapel Hill, NC 27599 USA.
RP Zhang, HF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM hfzhang@lbl.gov
RI Surratt, Jason/D-3611-2009; Lin, Ying-Hsuan/J-4023-2014
OI Surratt, Jason/0000-0002-6833-1450; Lin, Ying-Hsuan/0000-0001-8904-1287
FU National Science Foundation [ATM-0711097]; US Environmental Protection
Agency [EP-W-09023]; Electric Power Research Institute (EPRI); UNC
Graduate School
FX This research was supported by National Science Foundation (ATM-0711097)
and US Environmental Protection Agency (number EP-W-09023, Project
Officer: Deborah Luecken) to the University of North Carolina. J.D.
Surratt and Y.-H. Lin were supported in part by the Electric Power
Research Institute (EPRI). Y.-H. Lin also acknowledges a Dissertation
Completion Fellowship from the UNC Graduate School. The authors thank
Professor Harvey E. Jeffries (UNC) for useful discussions. The authors
thank Yang Zhou, Elias P. Rosen and Weruka Rattanavaraha for help with
experimental design.
NR 66
TC 3
Z9 3
U1 4
U2 64
PU CSIRO PUBLISHING
PI COLLINGWOOD
PA 150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA
SN 1448-2517
EI 1449-8979
J9 ENVIRON CHEM
JI Environ. Chem.
PY 2013
VL 10
IS 3
SI SI
BP 194
EP 209
DI 10.1071/EN13029
PG 16
WC Chemistry, Analytical; Environmental Sciences
SC Chemistry; Environmental Sciences & Ecology
GA 173FU
UT WOS:000321064400007
ER
PT J
AU Noel, JK
Sanbonmatsu, KY
Whitford, PC
AF Noel, Jeffrey K.
Sanbonmatsu, Karissa Y.
Whitford, Paul C.
TI The energy landscapes of ribosome function
SO JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
LA English
DT Meeting Abstract
C1 [Noel, Jeffrey K.] Rice Univ, Ctr Theoret Biol Phys, Houston, TX 77005 USA.
[Sanbonmatsu, Karissa Y.] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM 87545 USA.
[Whitford, Paul C.] Northeastern Univ, Dept Phys, Boston, MA 02115 USA.
EM p.whitford@neu.edu
NR 0
TC 0
Z9 0
U1 0
U2 2
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA
SN 0739-1102
J9 J BIOMOL STRUCT DYN
JI J. Biomol. Struct. Dyn.
PD JAN 1
PY 2013
VL 31
SU 1
SI SI
MA 35
BP 21
EP 22
DI 10.1080/07391102.2013.786468
PG 2
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA 160VU
UT WOS:000320149400035
ER
PT J
AU Alexandrov, BS
Rasmussen, KO
Bishop, AR
Usheva, A
AF Alexandrov, Boian S.
Rasmussen, Kim O.
Bishop, Alan R.
Usheva, Anny
TI Protein-DNA binding and breathing dynamics of DNA
SO JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
LA English
DT Meeting Abstract
ID TRANSCRIPTION FACTOR; YY1
C1 [Alexandrov, Boian S.; Rasmussen, Kim O.; Bishop, Alan R.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Alexandrov, Boian S.; Usheva, Anny] Harvard Univ, Beth Israel Deaconess Med Ctr, Sch Med, Boston, MA 02215 USA.
EM boian@lanl.gov
RI Alexandrov, Boian/D-2488-2010
OI Alexandrov, Boian/0000-0001-8636-4603
NR 8
TC 0
Z9 0
U1 0
U2 6
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA
SN 0739-1102
J9 J BIOMOL STRUCT DYN
JI J. Biomol. Struct. Dyn.
PD JAN 1
PY 2013
VL 31
SU 1
SI SI
MA 76
BP 49
EP 50
DI 10.1080/07391102.2013.786510
PG 2
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA 160VU
UT WOS:000320149400078
ER
PT J
AU Zhang, L
Ren, G
AF Zhang, Lei
Ren, Gang
TI Individual-particle electron tomography: a method for studying
macromolecule dynamics
SO JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
LA English
DT Meeting Abstract
C1 [Zhang, Lei; Ren, Gang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
EM gren@lbl.gov
RI Zhang, Lei/G-6427-2012
OI Zhang, Lei/0000-0002-4880-824X
NR 4
TC 0
Z9 0
U1 0
U2 4
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA
SN 0739-1102
J9 J BIOMOL STRUCT DYN
JI J. Biomol. Struct. Dyn.
PD JAN 1
PY 2013
VL 31
SU 1
SI SI
MA 108
BP 68
EP 69
DI 10.1080/07391102.2013.786350
PG 2
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA 160VU
UT WOS:000320149400110
ER
PT J
AU Cantara, WA
Vendeix, FAP
Murphy, FV
Leszcynska, G
Harris, K
Gustilo, EM
Sproat, B
Kaiser, R
Malkiewicz, A
Agris, PF
AF Cantara, William A.
Vendeix, Franck A. P.
Murphy, Franck V.
Leszcynska, Grazyna
Harris, Kimberly
Gustilo, Estella M.
Sproat, Brian
Kaiser, Rob
Malkiewicz, Andrzej
Agris, Paul F.
TI The importance of being modified: tautomeric forms of pyrimidines
provide expanded use of the genetic code
SO JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
LA English
DT Meeting Abstract
C1 [Cantara, William A.; Vendeix, Franck A. P.; Murphy, Franck V.; Leszcynska, Grazyna; Harris, Kimberly; Gustilo, Estella M.; Sproat, Brian; Kaiser, Rob; Malkiewicz, Andrzej; Agris, Paul F.] SUNY Albany, Dept Biol Sci, RNA Inst, Albany, NY 12222 USA.
[Cantara, William A.; Vendeix, Franck A. P.; Murphy, Franck V.; Leszcynska, Grazyna; Harris, Kimberly; Gustilo, Estella M.; Sproat, Brian; Kaiser, Rob; Malkiewicz, Andrzej; Agris, Paul F.] SUNY Albany, Dept Chem, RNA Inst, Albany, NY 12222 USA.
[Cantara, William A.; Vendeix, Franck A. P.; Murphy, Franck V.; Leszcynska, Grazyna; Harris, Kimberly; Gustilo, Estella M.; Sproat, Brian; Kaiser, Rob; Malkiewicz, Andrzej; Agris, Paul F.] Argonne Natl Lab, Northeastern Collaborat Access Team, Argonne, IL 60439 USA.
[Cantara, William A.; Vendeix, Franck A. P.; Murphy, Franck V.; Leszcynska, Grazyna; Harris, Kimberly; Gustilo, Estella M.; Sproat, Brian; Kaiser, Rob; Malkiewicz, Andrzej; Agris, Paul F.] Brown Univ, Dept Mol Biol Cell Biol & Biochem, Providence, RI 02912 USA.
[Cantara, William A.; Vendeix, Franck A. P.; Murphy, Franck V.; Leszcynska, Grazyna; Harris, Kimberly; Gustilo, Estella M.; Sproat, Brian; Kaiser, Rob; Malkiewicz, Andrzej; Agris, Paul F.] Tech Univ Lodz, PL-90924 Lodz, Poland.
[Cantara, William A.; Vendeix, Franck A. P.; Murphy, Franck V.; Leszcynska, Grazyna; Harris, Kimberly; Gustilo, Estella M.; Sproat, Brian; Kaiser, Rob; Malkiewicz, Andrzej; Agris, Paul F.] Dharmacon, Thermo Fisher, CO USA.
EM pagris@albany.edu
NR 2
TC 0
Z9 0
U1 1
U2 1
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA
SN 0739-1102
J9 J BIOMOL STRUCT DYN
JI J. Biomol. Struct. Dyn.
PD JAN 1
PY 2013
VL 31
SU 1
SI SI
MA 112
BP 71
EP 72
DI 10.1080/07391102.2013.786354
PG 2
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA 160VU
UT WOS:000320149400113
ER
PT J
AU Meduri, P
Chen, HH
Xiao, J
Martinez, JJ
Carlson, T
Zhang, JG
Deng, ZD
AF Meduri, Praveen
Chen, Honghao
Xiao, Jie
Martinez, Jayson J.
Carlson, Thomas
Zhang, Ji-Guang
Deng, Z. Daniel
TI Tunable electrochemical properties of fluorinated graphene
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID PRIMARY LITHIUM BATTERIES; GRAPHITE FLUORIDE; CARBON-MONOFLUORIDE;
POROUS GRAPHENE; CATHODE; PERFORMANCE; ATMOSPHERE
AB The structural and electrochemical properties of fluorinated graphene have been investigated by using a series of graphene fluorides (CFx, x = 0.47, 0.66, 0.89). Fluorinated graphene exhibited high capacity retentions of 75-81% of theoretical capacity at moderate rates as cathode materials for primary lithium batteries. Specifically, CF0.47 maintained a capacity of 356 mAh g (1) at a 5 C rate, superior to that of traditional fluorinated graphite. The discharged graphene fluorides also provide an electrochemical tool to probe the chemical bonding on the parent graphene substrate.
C1 [Meduri, Praveen; Chen, Honghao; Xiao, Jie; Martinez, Jayson J.; Carlson, Thomas; Zhang, Ji-Guang; Deng, Z. Daniel] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA.
RP Deng, ZD (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA.
EM jie.xiao@pnnl.gov; zhiqun.deng@pnnl.gov
RI Deng, Daniel/A-9536-2011
OI Deng, Daniel/0000-0002-8300-8766
FU U.S. Army Corps of Engineers (USACE), Portland District; Battelle for
the U.S. Department of Energy (DOE) [DE-AC05-76RL01830]; DOE, Office of
Biological and Environmental Research
FX This research is supported by the U.S. Army Corps of Engineers (USACE),
Portland District, as part of the injectable acoustic microtransmitter
development project. Brad Eppard is the technical lead for USACE and we
greatly appreciate his involvement and oversight. The study was
conducted at the Pacific Northwest National Laboratory (PNNL) in
Richland, Washington, which is operated by Battelle for the U.S.
Department of Energy (DOE) under Contract DE-AC05-76RL01830. The authors
thank Vorbeck Materials Corporation and Prof. Ilhan A. Aksay of
Princeton University, Princeton for providing the graphene. The authors
also thank Suree Brown, J. L. Adcock and Sheng Dai of The University of
Tennessee, Knoxville for their help in fluorination of graphene. The
authors thank Xiaolin Li and Libor Kovarik of PNNL for the XRD and TEM
characterization, respectively. The TEM work was performed at the
Environmental Molecular Sciences Laboratory (EMSL) located at PNNL, a
national scientific user facility sponsored by the DOE, Office of
Biological and Environmental Research.
NR 34
TC 21
Z9 21
U1 8
U2 57
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 27
BP 7866
EP 7869
DI 10.1039/c3ta11710c
PG 4
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 166JR
UT WOS:000320551200002
ER
PT J
AU Wang, XQ
Liu, CG
Neff, D
Fulvio, PF
Mayes, RT
Zhamu, A
Fang, Q
Chen, GR
Meyer, HM
Jang, BZ
Dai, S
AF Wang, Xiqing
Liu, Chen-Guang
Neff, David
Fulvio, Pasquale F.
Mayes, Richard T.
Zhamu, Aruna
Fang, Qing
Chen, Guorong
Meyer, Harry M.
Jang, Bor Z.
Dai, Sheng
TI Nitrogen-enriched ordered mesoporous carbons through direct pyrolysis in
ammonia with enhanced capacitive performance
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID POROUS CARBON; DOPED CARBON; CO2 CAPTURE; SUPERCAPACITOR PERFORMANCE;
BLOCK-COPOLYMERS; OXYGEN REDUCTION; POLYMERS; TRANSFORMATION;
NANOCOMPOSITE; ELECTROLYTE
AB Self-assembly of phenolic resins and a Pluronic block copolymer via the soft-template method enables the formation of well-organized polymeric mesostructures, providing an easy way for preparation of ordered mesoporous carbons (OMCs). However, direct synthesis of OMCs with high nitrogen content remains a significant challenge due to the limited availability of nitrogen precursors capable of co-polymerizing with phenolic resins without deterioration of the order of mesostructural arrangement and significant diminishment of nitrogen content during carbonization. In this work, we demonstrate pyrolysis of the soft-templated polymeric composites in ammonia as a direct, facile way towards nitrogen-enriched OMCs (N-OMCs). This approach does not require any nitrogen-containing carbon precursors or post-treatment, but takes advantage of the preferential reaction and/ or replacement of oxygen with nitrogen species, generated by decomposition of ammonia at elevated temperatures, in oxygen-rich polymers during pyrolysis. It combines carbonization, nitrogen functionalization, and activation into one simple process, generating N-OMCs with a uniform pore size, large surface area (up to 1400 m(2) g(-1)), and high nitrogen content (up to 9.3 at%). More importantly, the ordering of the meso-structure is well-maintained as long as the heating temperature does not exceed 800 degrees C, above which (e. g., 850 degrees C) a slight structural degradation is observed. When being used as electrode materials for symmetric electric double layer capacitors, N-OMCs demonstrate enhanced capacitance (6.8 mu F cm(-2) vs. 3.2 mu F cm(-2)) and reduced ion diffusion resistance compared to the non-NH3-treated sample.
C1 [Wang, Xiqing; Fulvio, Pasquale F.; Mayes, Richard T.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Wang, Xiqing; Liu, Chen-Guang; Neff, David; Fang, Qing; Chen, Guorong; Jang, Bor Z.] Nanotek Instruments Inc, Dayton, OH 45404 USA.
[Zhamu, Aruna] Angstron Mat Inc, Dayton, OH 45404 USA.
[Meyer, Harry M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
RP Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM xiqing.wang@gmail.com; bor.jang@wright.edu; dais@ornl.gov
RI FANG, QING/C-9498-2013; Fulvio, Pasquale/B-2968-2014; Wang,
Xiqing/E-3062-2010; Dai, Sheng/K-8411-2015; Mayes, Richard/G-1499-2016
OI Fulvio, Pasquale/0000-0001-7580-727X; Wang, Xiqing/0000-0002-1843-008X;
Dai, Sheng/0000-0002-8046-3931; Mayes, Richard/0000-0002-7457-3261
FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of
Basic Energy Sciences, U.S. Department of Energy, [DE-AC05-OR22725];
Fluid Interface Reactions, Structures, and Transport (FIRST) Center;
Energy Frontier Research Center; U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences; Nanotek Instruments, Inc.;
Ohio Third Frontier Advanced Energy Program [OTFAEP 11-303]
FX The main part of this work was supported by the Division of Chemical
Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences,
U.S. Department of Energy, under contract DE-AC05-OR22725 with Oak Ridge
National Laboratory, managed and operated by UT-Battelle, LLC. S. D. and
P. F. F. was supported as part of the Fluid Interface Reactions,
Structures, and Transport (FIRST) Center, an Energy Frontier Research
Center funded by the U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences. The work done at Nanotek Instruments,
Inc. was supported by the Ohio Third Frontier Advanced Energy Program
under award OTFAEP 11-303.
NR 43
TC 38
Z9 39
U1 11
U2 130
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 27
BP 7920
EP 7926
DI 10.1039/c3ta11342f
PG 7
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 166JR
UT WOS:000320551200011
ER
PT J
AU Baggetto, L
Ganesh, P
Sun, CN
Meisner, RA
Zawodzinski, TA
Veith, GM
AF Baggetto, Loic
Ganesh, P.
Sun, Che-Nan
Meisner, Roberta A.
Zawodzinski, Thomas A.
Veith, Gabriel M.
TI Intrinsic thermodynamic and kinetic properties of Sb electrodes for
Li-ion and Na-ion batteries: experiment and theory
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID AUGMENTED-WAVE METHOD; HIGH-CAPACITY; LITHIUM; STORAGE; SODIUM;
MOSSBAUER; SYSTEMS; ANODE
AB A detailed comparative study between the electrochemical lithiation and sodiation of pure antimony (Sb), relating changes in structural, thermodynamic, kinetic and electrochemical properties has been carried out. For this purpose, a wide range of measurements using electrochemical (galvanostatic cycling, GITT, PITT), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) methods as well as density functional theory (DFT) based investigations have been undertaken. Assessment of the thermodynamics reveals that the reaction proceeds identically during the first and second cycles for Li whereas it differs between the first and subsequent cycles for Na as the reaction with Na proceeds through a different pathway associated with the formation of amorphous NaxSb phases. For the first time we rationalize the amorphization of NaxSb phases by the long ranged strain propagation due to Na-vacancy compared to Li-3-Sb. At full discharge, our XRD results show for the first time that a minor fraction of hexagonal Li3Sb forms concomitantly with cubic Li3Sb. The XRD results confirm that Sb crystallizes into hexagonal Na3Sb at full sodiation. The kinetics of the reaction is assessed by rate performance tests which highlight that both Li and Na can diffuse rapidly throughout micron thick films at room temperature. However, it is found that the (de) insertion of Li provides lower overpotentials and larger storage capacities compared to Na. The difference in rate performance is complemented by diffusion coefficient determinations near the 0 V region where both materials are crystallized into M3Sb (M Li, Na). Interestingly, calculations show that the energy barrier for near-neighbor vacancy migration, predominant in these close-packed phases, is about twice for Na than for Li. Our analysis tries to relate the lower intrinsic diffusivity of Na compared to Li with the long-range strain propagation induced by the former, thereby leading to an intrinsic origin of differences in rates, mechanical properties and amorphization. Finally, the surface chemistry of Sb electrodes cycled in NaClO4 dissolved in pure PC with(out) the addition of 5 wt% EC or FEC shows presence of ethers and NaF for the EC- and FEC-based electrolytes, respectively, and SEI films rich in Na-based carbonates.
C1 [Baggetto, Loic; Sun, Che-Nan; Meisner, Roberta A.; Zawodzinski, Thomas A.; Veith, Gabriel M.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Ganesh, P.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Meisner, Roberta A.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Zawodzinski, Thomas A.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
RP Baggetto, L (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM baggettol@ornl.gov; ganeshp@ornl.gov; veithgm@ornl.gov
RI Sun, Che-Nan/I-3871-2013; Ganesh, Panchapakesan/L-5571-2013; Ganesh,
Panchapakesan/E-3435-2012; Baggetto, Loic/D-5542-2017
OI Ganesh, Panchapakesan/0000-0002-7170-2902; Baggetto,
Loic/0000-0002-9029-2363
FU U.S. Department of Energy (DOE); Basic Energy Sciences (BES); Materials
Sciences and Engineering Division; DOE-BES
FX This work was supported by the U.S. Department of Energy (DOE), Basic
Energy Sciences (BES), Materials Sciences and Engineering Division.
Computations performed at the Center for Nanophase Materials Sciences
(CNMS) are sponsored by DOE-BES.
NR 23
TC 79
Z9 79
U1 31
U2 194
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 27
BP 7985
EP 7994
DI 10.1039/c3ta11568b
PG 10
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 166JR
UT WOS:000320551200020
ER
PT J
AU Hsu, HM
Cheng, PK
Chen, WF
Kuo, MH
Chen, CC
Kuo, PL
AF Hsu, Huang-Ming
Cheng, Ping-Kai
Chen, Wei-Fu
Kuo, Meng-Hsin
Chen, Chi-Chang
Kuo, Ping-Lin
TI Highly conductive, crosslinked ionomers based on poly(styrene-co-maleic
anhydride) for water electrolysis
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID METHANOL FUEL-CELLS; PROTON-EXCHANGE MEMBRANES; POLYHEDRAL
OLIGOSILSESQUIOXANE; TEMPERATURES; DEGRADATION; PERFORMANCE; COPOLYMERS;
TRANSPORT; NETWORK; MONOMER
AB Hydrogen production through water electrolysis calls for a low-cost non-fluoro membrane to make the process economically viable due to the high cost and environmental concerns of the current fluorinated ionomers. Here, we present such an ionomer with high proton conductivity based on the hybrid of commercially available poly(styrene-co-maleic anhydride) and polyhedral oligomeric silsesquioxane (POSS). The three-dimensional POSS framework, which does not only act as a robust scaffold but also provides binding sites for water, contributes to the amount of bound water, high proton conductivity and good oxidative stability.
C1 [Hsu, Huang-Ming; Cheng, Ping-Kai; Kuo, Meng-Hsin; Chen, Chi-Chang; Kuo, Ping-Lin] Natl Cheng Kung Univ, Dept Chem Engn, Tainan, Taiwan.
[Chen, Wei-Fu] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Chen, WF (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM wfchen@bnl.gov; plkuo@mail.ncku.edu.tw
NR 38
TC 2
Z9 2
U1 3
U2 29
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 28
BP 8093
EP 8096
DI 10.1039/c3ta11059a
PG 4
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 170TG
UT WOS:000320876000002
ER
PT J
AU Shao, M
Das, S
Xiao, K
Chen, JH
Keum, JK
Ivanov, IN
Gu, G
Durant, W
Li, DW
Geohegan, DB
AF Shao, Ming
Das, Sanjib
Xiao, Kai
Chen, Jihua
Keum, Jong K.
Ivanov, Ilia N.
Gu, Gong
Durant, William
Li, Dawen
Geohegan, David B.
TI High-performance organic field-effect transistors with dielectric and
active layers printed sequentially by ultrasonic spraying
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID HIGH-MOBILITY; ULTRADILUTE SOLUTION; POLYMER; DEPOSITION;
SEMICONDUCTORS; FABRICATION; CIRCUITS; CELLS; FILMS
AB High-performance organic field-effect transistors (OFETs) are reported with dielectric and active layers sequentially deposited by ultrasonic spray-printing. A cross-linkable insulator and a soluble small molecule semiconductor are developed which are both printable and highly robust. Using plastic with pre-patterned indium tin oxide gate contacts as required for display applications, two different layers are sequentially spray-printed: the semiconductor 6,13-bis(trisopropylsilylethynyl)pentacene (TIPS-PEN), and the insulator poly-4-vinylphenol (PVP). OFETs printed in ambient air with a bottom-gate/top-contact geometry are shown to achieve on/off ratios of >10(4) and mobilities up to 0.35 cm(2) V-1 s(-1). These rival the characteristics of the best solution-processable small molecule FETs fabricated by other processing methods such as drop casting and ink-jet printing.
C1 [Shao, Ming; Xiao, Kai; Chen, Jihua; Keum, Jong K.; Ivanov, Ilia N.; Geohegan, David B.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Das, Sanjib; Gu, Gong] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37931 USA.
[Keum, Jong K.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA.
[Durant, William; Li, Dawen] Univ Alabama, Dept Elect & Comp Engn, Tuscaloosa, AL 35487 USA.
RP Xiao, K (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM xiaok@ornl.gov
RI Chen, Jihua/F-1417-2011; ivanov, ilia/D-3402-2015; Gu, Gong/L-5919-2015;
Keum, Jong/N-4412-2015; Geohegan, David/D-3599-2013; Das,
Sanjib/A-9255-2017
OI Chen, Jihua/0000-0001-6879-5936; ivanov, ilia/0000-0002-6726-2502; Xiao,
Kai /0000-0002-0402-8276; Gu, Gong/0000-0002-3888-1427; Keum,
Jong/0000-0002-5529-1373; Geohegan, David/0000-0003-0273-3139; Das,
Sanjib/0000-0002-5281-4458
FU Division of Scientific User Facilities, U.S. Department of Energy;
Higher Education Research Experiences (HERE) summer intern program at
ORNL; DOE [08-0217]
FX This research was conducted at the Center for Nanophase Materials
Sciences (CNMS), which is sponsored at Oak Ridge National Laboratory by
the Division of Scientific User Facilities, U.S. Department of Energy,
managed by UT-Battelle, LLC, for the U.S. Department of Energy. K. X.
and W. D. acknowledge support from the Higher Education Research
Experiences (HERE) summer intern program at ORNL, and D. L. acknowledges
partial support from DOE travel fund (08-0217).
NR 35
TC 14
Z9 14
U1 4
U2 53
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7526
J9 J MATER CHEM C
JI J. Mater. Chem. C
PY 2013
VL 1
IS 28
BP 4384
EP 4390
DI 10.1039/c3tc30535j
PG 7
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA 172PD
UT WOS:000321015700011
ER
PT J
AU Cuennet, JG
Vasdekis, AE
Psaltis, D
AF Cuennet, J. G.
Vasdekis, A. E.
Psaltis, D.
TI Optofluidic-tunable color filters and spectroscopy based on
liquid-crystal microflows
SO LAB ON A CHIP
LA English
DT Article
ID LIGHT-EMITTING-DIODES; ON-A-CHIP; FLUORESCENCE DETECTION;
CAPILLARY-ELECTROPHORESIS; MICROFLUIDICS; INTEGRATION; ABSORPTION;
PLATFORM; SYSTEMS; ARRAYS
AB The integration of color filters with microfluidics has attracted substantial attention in recent years, for on-chip absorption, fluorescence, or Raman analysis. We describe such tunable filters based on the micro-flow of liquid crystals. The filter operation is based on the wavelength-dependent liquid crystal birefringence that can be tuned by modifying the flow velocity field in the microchannel. The latter is possible both temporally and spatially by varying the inlet pressure and the channel geometry, respectively. We explored the use of these optofluidic filters for on-chip absorption spectroscopy in poly(dimethylsiloxane) microfluidic systems; by integrating the distance-dependent color filter with a dye-filled micro-channel, the absorption spectrum of a dye could be measured. Liquid crystal microflows substantially simplify the optofluidic integration, actuation and tuning of color filters for lab-on-a-chip spectroscopic applications.
C1 [Cuennet, J. G.; Psaltis, D.] Ecole Polytech Fed Lausanne, Sch Engn, Opt Lab, CH-1015 Lausanne, Switzerland.
[Vasdekis, A. E.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA.
RP Vasdekis, AE (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA.
EM andreas.vasdekis@pnnl.gov
OI Vasdekis, Andreas/0000-0003-4315-1047
FU Laboratory Directed Research and Development funds [PN12005/2406]
FX The experimental work and data analysis was performed at the Ecole
Polytechnique Federale de Lausanne, Optics Laboratory. For the partial
writing of the manuscript, A. E. V. gratefully acknowledges funding from
the Laboratory Directed Research and Development funds administered by
Pacific Northwest National Laboratory (project PN12005/2406).
NR 34
TC 7
Z9 7
U1 0
U2 42
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1473-0197
J9 LAB CHIP
JI Lab Chip
PY 2013
VL 13
IS 14
BP 2721
EP 2726
DI 10.1039/c3lc50501d
PG 6
WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience
& Nanotechnology
SC Biochemistry & Molecular Biology; Chemistry; Science & Technology -
Other Topics
GA 166KG
UT WOS:000320552700010
PM 23752198
ER
PT J
AU Wang, WH
Muckerman, JT
Fujita, E
Himeda, Y
AF Wang, Wan-Hui
Muckerman, James T.
Fujita, Etsuko
Himeda, Yuichiro
TI Hydroxy-substituted pyridine-like N-heterocycles: versatile ligands in
organometallic catalysis
SO NEW JOURNAL OF CHEMISTRY
LA English
DT Article
ID REVERSIBLE DEHYDROGENATION-HYDROGENATION; HALF-SANDWICH COMPLEXES;
ACID-BASE-EQUILIBRIUM; ASTERISK-IR COMPLEX; CARBON-DIOXIDE;
RUTHENIUM(II) COMPLEXES; COORDINATION CHEMISTRY; IRIDIUM CATALYST; WATER
SOLUBILITY; AQUEOUS-MEDIA
AB Bio-inspired complexes with hydroxy-substituted pyridine-like N-heterocyclic ligands have been applied in homogeneous catalysis, especially in transformations related to hydrogen storage. The hydroxy functional group has a significant effect on catalyst activation by acting as an electron donor and/or pendent base. This article presents the design and synthesis of new complexes with pyridine-like N-heterocyclic ligands bearing versatile hydroxy functional groups. Their application for the activation of small molecules such as H-2, CO2, and alcohols and their potential contribution to the hydrogen economy are highlighted.
C1 [Wang, Wan-Hui; Himeda, Yuichiro] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki 3058565, Japan.
[Wang, Wan-Hui; Himeda, Yuichiro] ACT C, JST, Kawaguchi, Saitama 3320012, Japan.
[Muckerman, James T.; Fujita, Etsuko] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Himeda, Y (reprint author), Natl Inst Adv Ind Sci & Technol, Tsukuba Cent 5-2,1-1-1 Higashi, Tsukuba, Ibaraki 3058565, Japan.
EM himeda.y@aist.go.jp
RI Himeda, Yuichiro/E-8613-2014; Wang, Wan-Hui/J-8773-2012
OI Wang, Wan-Hui/0000-0002-5943-4589
FU JST, ACT-C; U.S. Department of Energy [DE-AC02-98CH10886]; Brookhaven
National Laboratory
FX Y.H. and W.-H.W. acknowledge JST, ACT-C for financial support. J.T.M.
and E. F. thank the U.S. Department of Energy and its Division of
Chemical Sciences, Geosciences, & Biosciences, Office of Basic Energy
Sciences for funding under contract DE-AC02-98CH10886 with Brookhaven
National Laboratory.
NR 55
TC 24
Z9 24
U1 3
U2 51
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1144-0546
J9 NEW J CHEM
JI New J. Chem.
PY 2013
VL 37
IS 7
BP 1860
EP 1866
DI 10.1039/c3nj41146j
PG 7
WC Chemistry, Multidisciplinary
SC Chemistry
GA 165ET
UT WOS:000320466600001
ER
PT S
AU Cheng, L
Curtiss, LA
AF Cheng, Lei
Curtiss, Larry A.
BE BravoSuarez, JJ
Kidder, MK
Schwartz, V
TI Computational Studies of Structure and Catalytic Activity of Vanadia for
Propane Oxidative Dehydrogenation
SO NOVEL MATERIALS FOR CATALYSIS AND FUELS PROCESSING
SE ACS Symposium Series
LA English
DT Proceedings Paper
CT Symposium on Novel Materials for Catalysis and Fuels Processing / 243rd
American-Chemical-Society National Meeting
CY MAR 25-29, 2012
CL San Diego, CA
ID X-RAY-ABSORPTION; DENSITY-FUNCTIONAL THEORY; SITU RAMAN-SPECTROSCOPY;
METAL OXIDE CATALYSTS; SUPPORTED VANADIA; TITANIA CATALYSTS;
V2O5-TIO2-ANATASE CATALYST; MOLECULAR-STRUCTURE; REACTION-MECHANISM;
SURFACE-STRUCTURE
AB Understanding catalysis at a molecular level is the key to improving catalytic activity and the rational design of the next generation of catalysts. Despite the development of new surface science research techniques, characterization of surface catalytic sites still remain challenging due to the complexities of catalytic surfaces. Computational chemistry provides reaction studies at the molecular level and has become a very powerful tool for investigating catalysis. In this chapter, we review computational studies of supported vanadium oxide as a catalyst for the propane oxidative dehydrogenation reaction. The determination of the structure of active catalytic sites, elucidation of reaction mechanisms, and structure-activity relationships will be reviewed.
C1 [Cheng, Lei; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
RP Cheng, L (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM curtiss@anl.gov
NR 51
TC 0
Z9 0
U1 2
U2 14
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2811-5
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2013
VL 1132
BP 71
EP 82
PG 12
WC Chemistry, Physical; Energy & Fuels
SC Chemistry; Energy & Fuels
GA BFS61
UT WOS:000321160400002
ER
PT S
AU Formo, EV
Wu, ZL
Mahurin, SM
Dai, S
AF Formo, Eric V.
Wu, Zili
Mahurin, Shannon M.
Dai, Sheng
BE BravoSuarez, JJ
Kidder, MK
Schwartz, V
TI Utilizing Surface Enhanced Raman Spectroscopy for the Study of
Interfacial Phenomena: Probing Interactions on an Alumina Surface
SO NOVEL MATERIALS FOR CATALYSIS AND FUELS PROCESSING
SE ACS Symposium Series
LA English
DT Proceedings Paper
CT Symposium on Novel Materials for Catalysis and Fuels Processing / 243rd
American-Chemical-Society National Meeting
CY MAR 25-29, 2012
CL San Diego, CA
ID ATOMIC LAYER DEPOSITION; METAL-OXIDE CATALYSTS; HETEROGENEOUS CATALYSIS;
VIBRATIONAL INVESTIGATIONS; KEGGIN STRUCTURE; SITU; MOLYBDENUM(VI);
TEMPERATURE; CHEMISTRY; ACID
AB Herein is a discussion of new developments in expanding Surface Enhanced Raman Spectroscopy (SERS) into probing a catalyst's structure and interface interactions. To accomplish this, robust SERS substrates were generated by depositing a protective alumina coating on top of silver nanowires (NWs) via atomic layer deposition (ALD). In situ studies of catalytic systems were conducted by analyzing the effects of heating a solid acid on the alumina surface in various environments at temperatures up to 400 degrees C. Interestingly, the distance-dependent decay of the SERS effect allowed us to probe with enhanced detail the interfacial region. Further, we monitored adsorbate interface interactions between the adsorption-desorption of pyridine on the acidic sites of a solid acid.
C1 [Formo, Eric V.; Wu, Zili; Dai, Sheng] Oak Ridge Natl Lab, Ctr Nanophase Mat, Oak Ridge, TN 37831 USA.
RP Formo, EV (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat, POB 2008 MS6493, Oak Ridge, TN 37831 USA.
EM wuz1@ornl.gov; dais@ornl.gov
RI Wu, Zili/F-5905-2012; Dai, Sheng/K-8411-2015
OI Wu, Zili/0000-0002-4468-3240; Dai, Sheng/0000-0002-8046-3931
NR 32
TC 0
Z9 0
U1 1
U2 15
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2811-5
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2013
VL 1132
BP 101
EP 114
PG 14
WC Chemistry, Physical; Energy & Fuels
SC Chemistry; Energy & Fuels
GA BFS61
UT WOS:000321160400004
ER
PT S
AU Chai, SH
Howe, JY
Kidder, M
Wang, X
Schwartz, V
Overbury, SH
Dai, S
Jiang, DE
AF Chai, Song-Hai
Howe, Jane Y.
Kidder, Michelle
Wang, Xiqing
Schwartz, Viviane
Overbury, Steven H.
Dai, Sheng
Jiang, De-en
BE BravoSuarez, JJ
Kidder, MK
Schwartz, V
TI Rhodium Nanoparticles Confined in Ordered Mesoporous Carbon: Microscopic
Characterization and Catalytic Application for Synthesis Gas Conversion
to Ethanol
SO NOVEL MATERIALS FOR CATALYSIS AND FUELS PROCESSING
SE ACS Symposium Series
LA English
DT Proceedings Paper
CT Symposium on Novel Materials for Catalysis and Fuels Processing / 243rd
American-Chemical-Society National Meeting
CY MAR 25-29, 2012
CL San Diego, CA
ID RH CATALYSTS; SYNGAS; CO; HYDROGENATION; ADSORPTION
AB Rh nanoparticles (2-4 nm) confined in the nanopores (6.5 nm) of ordered mesoporous carbon (OMC) were characterized by scanning transmission electron microscopy imaging on the cross-section of OMC grains generated using state-of-the-art focused ion beam lift-out technique. The catalytic activity (turnover frequency) and ethanol selectivity of Rh/OMC for synthesis gas conversion to ethanol are enhanced greatly when triply promoted with Mn, Li, and Fe oxides. Compared with traditional mesoporous silica having similar pore size, OMC as the support of promoted Rh catalyst increases the ethanol selectivity along with suppressing the formation of undesired hydrocarbons, although its overall activity is lowered to some extent.
C1 [Chai, Song-Hai; Kidder, Michelle; Wang, Xiqing; Overbury, Steven H.; Dai, Sheng; Jiang, De-en] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
RP Chai, SH (reprint author), Oak Ridge Natl Lab, Div Chem Sci, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM chais@ornl.gov; jiangd@ornl.gov
RI Jiang, De-en/D-9529-2011; Chai, Song-Hai/A-9299-2012; Overbury,
Steven/C-5108-2016; Howe, Jane/G-2890-2011; Dai, Sheng/K-8411-2015;
OI Jiang, De-en/0000-0001-5167-0731; Chai, Song-Hai/0000-0002-4152-2513;
Overbury, Steven/0000-0002-5137-3961; Dai, Sheng/0000-0002-8046-3931;
Wang, Xiqing/0000-0002-1843-008X
NR 24
TC 0
Z9 0
U1 0
U2 8
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2811-5
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2013
VL 1132
BP 231
EP 243
PG 13
WC Chemistry, Physical; Energy & Fuels
SC Chemistry; Energy & Fuels
GA BFS61
UT WOS:000321160400009
ER
PT S
AU Schwartz, V
Overbury, SH
Liang, CD
AF Schwartz, Viviane
Overbury, Steven H.
Liang, Chengdu
BE BravoSuarez, JJ
Kidder, MK
Schwartz, V
TI Carbon-Mediated Catalysis: Oxidative Dehydrogenation on Graphitic Carbon
SO NOVEL MATERIALS FOR CATALYSIS AND FUELS PROCESSING
SE ACS Symposium Series
LA English
DT Proceedings Paper
CT Symposium on Novel Materials for Catalysis and Fuels Processing / 243rd
American-Chemical-Society National Meeting
CY MAR 25-29, 2012
CL San Diego, CA
ID ACTIVATED CARBON; HETEROGENEOUS CATALYSIS; ETHYLBENZENE; NANOTUBES;
STYRENE; OXYDEHYDROGENATION; SELECTIVITY; ISOBUTANE; OXIDE; CHEMISTRY
AB Although carbon has been widely used in catalytic processes as a support material, very little is known about its function as an active catalyst. The scientific challenge is to achieve a detailed mechanistic understanding of the structural or chemical sites of the carbon that are catalytically active especially because of the very heterogeneous nature of carbon surfaces. This problem is complicated by the fact that there are limited tools to characterize the surface chemical and structural properties of carbon materials. This review highlights recent efforts from our group in utilizing well-defined synthetic nanostructure carbons in which surface properties can be controlled and systematically varied in order to identify their function for oxidative dehydrogenation reactions. Manipulation of exposed edge sites and oxygen functionalities are some of the aspects studied for controlling activity and selectivity on carbon catalysis.
C1 [Schwartz, Viviane; Overbury, Steven H.; Liang, Chengdu] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Schwartz, V (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, POB 2008 MS6493, Oak Ridge, TN 37831 USA.
EM schwartzv@ornl.gov
RI Overbury, Steven/C-5108-2016
OI Overbury, Steven/0000-0002-5137-3961
NR 40
TC 3
Z9 3
U1 1
U2 11
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2811-5
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2013
VL 1132
BP 247
EP 258
PG 12
WC Chemistry, Physical; Energy & Fuels
SC Chemistry; Energy & Fuels
GA BFS61
UT WOS:000321160400010
ER
PT S
AU Kandel, K
Althaus, SM
Pruski, M
Slowing, II
AF Kandel, Kapil
Althaus, Stacey M.
Pruski, Marek
Slowing, Igor I.
BE BravoSuarez, JJ
Kidder, MK
Schwartz, V
TI Supported Hybrid Enzyme-Organocatalysts for Upgrading the Carbon Content
of Alcohols
SO NOVEL MATERIALS FOR CATALYSIS AND FUELS PROCESSING
SE ACS Symposium Series
LA English
DT Proceedings Paper
CT Symposium on Novel Materials for Catalysis and Fuels Processing / 243rd
American-Chemical-Society National Meeting
CY MAR 25-29, 2012
CL San Diego, CA
ID MESOPOROUS SILICA; ETHANOL; OXIDASE; FUNCTIONALIZATION; CONVERSION;
ENGINE; YEAST; FUEL
AB A bicatalytic system was prepared by the immobilization of alcohol oxidase enzyme and an alkylamine organocatalyst in distinct locations of mesoporous nanoparticles. The resulting nanocomposites were able to perform a sequence of oxidation and aldol coupling reactions, which transformed short chain alcohols into longer chain molecules. The process takes place at low temperatures, but requires additional enzyme (catalase) to prevent inactivation of the catalyst. This qualitative study introduces a model of a hybrid multicomponent nanomaterial that resembles the behavior of multienzymatic systems within confined spaces.
C1 [Kandel, Kapil] US DOE, Ames Lab, Ames, IA 50011 USA.
RP Kandel, K (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA.
EM islowing@iastate.edu
OI Slowing, Igor/0000-0002-9319-8639
NR 17
TC 2
Z9 2
U1 1
U2 6
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2811-5
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2013
VL 1132
BP 261
EP 271
PG 11
WC Chemistry, Physical; Energy & Fuels
SC Chemistry; Energy & Fuels
GA BFS61
UT WOS:000321160400011
ER
PT J
AU Kirilovsky, D
Kerfeld, CA
AF Kirilovsky, Diana
Kerfeld, Cheryl A.
TI The Orange Carotenoid Protein: a blue-green light photoactive protein
SO PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES
LA English
DT Article
ID SYNECHOCYSTIS PCC 6803; PHOTOSYSTEM-II; ENERGY-DISSIPATION;
PHYCOBILISOME FLUORESCENCE; PHOTOPROTECTIVE MECHANISM; MOLECULAR SWITCH;
SP PCC-6803; CYANOBACTERIUM; COMPLEX; OCP
AB This review focuses on the Orange Carotenoid Protein (OCP) which is the first photoactive protein identified containing a carotenoid as the photoresponsive chromophore. This protein is essential for the triggering of a photoprotective mechanism in cyanobacteria which decreases the excess absorbed energy arriving at the photosynthetic reaction centers by increasing thermal dissipation at the level of the phycobilisomes, the cyanobacterial antenna. Blue-green light causes structural changes within the carotenoid and the protein, converting the orange inactive form into a red active form. The activated red form interacts with the phycobilisome and induces the decrease of phycobilisome fluorescence emission and of the energy arriving to the photosynthetic reaction centers. The OCP is the light sensor, the signal propagator and the energy quencher. A second protein, the Fluorescence Recovery Protein (FRP), is needed to detach the red OCP from the phycobilisome and its reversion to the inactive orange form. In the last decade, in vivo and in vitro mechanistic studies combined with structural and genomic data resulted in both the discovery and a detailed picture of the function of the OCP and OCP-mediated photoprotection. Recent structural and functional results are emphasized and important previous results will be reviewed. Similarities to other blue-light responsive proteins will be discussed.
C1 [Kirilovsky, Diana] CEA, Inst Biol & Technol Saclay iBiTec S, F-91191 Gif Sur Yvette, France.
[Kirilovsky, Diana] CNRS, UMR 8221, F-91191 Gif Sur Yvette, France.
[Kerfeld, Cheryl A.] US Dept Energy Joint Genome Inst, Walnut Creek, CA 94598 USA.
[Kerfeld, Cheryl A.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.
[Kerfeld, Cheryl A.] Berkeley Synthet Biol Inst, Berkeley, CA 94720 USA.
RP Kirilovsky, D (reprint author), CEA, Inst Biol & Technol Saclay iBiTec S, F-91191 Gif Sur Yvette, France.
EM diana.kirilovsky@cea.fr
FU National Science Foundation [MCB0851070]; Commissariat a l'Energie
Atomique; Centre National de la Recherche Scientifique; Agence Nationale
de la Recherche; EU network HARVEST
FX The authors thank Ryan Leverenz and Seth Axen for assistance with data
compilation and figures. C. A. K. was supported by National Science
Foundation grant MCB0851070. The research of DK and her group was
supported by the "Commissariat a l'Energie Atomique", the "Centre
National de la Recherche Scientifique" and the "Agence Nationale de la
Recherche" (project CAROPROTECT). The work was also partially supported
by EU network HARVEST.
NR 57
TC 54
Z9 60
U1 5
U2 51
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1474-905X
J9 PHOTOCH PHOTOBIO SCI
JI Photochem. Photobiol. Sci.
PY 2013
VL 12
IS 7
BP 1135
EP 1143
DI 10.1039/c3pp25406b
PG 9
WC Biochemistry & Molecular Biology; Biophysics; Chemistry, Physical
SC Biochemistry & Molecular Biology; Biophysics; Chemistry
GA 166MD
UT WOS:000320557800003
PM 23396391
ER
PT S
AU Lupinacci, A
Shapiro, AA
Suh, JO
Minor, AM
AF Lupinacci, A.
Shapiro, A. A.
Suh, J. O.
Minor, A. M.
GP IEEE
TI A study of solder alloy ductility for cryogenic applications
SO 2013 IEEE INTERNATIONAL SYMPOSIUM ON ADVANCED PACKAGING MATERIALS (APM)
SE International Symposium on Advanced Packaging Materials-Processes,
Properties, and Interfaces
LA English
DT Proceedings Paper
CT IEEE International Symposium on Advanced Packaging Materials (APM)
CY FEB 27-MAR 01, 2013
CL Irvine, CA
SP IEEE
ID TIN; CRYSTALS
AB For aerospace applications it is important to understand the mechanical performance of components at the extreme temperature conditions seen in service. For solder alloys used in microelectronics, cryogenic temperatures can prove problematic. At low temperatures Sn-based solders undergo a ductile to brittle transition that leads to brittle cracks, which can result in catastrophic failure of electronic components, assemblies and spacecraft payloads. As industrial processes begin to move away from Pb-Sn solder, it is even more critical to characterize the behavior of alternative Sn-based solders. Here we report on initial investigations using a modified Charpy test apparatus to characterize the ductile to brittle transformation temperature of nine different solder systems.
C1 [Shapiro, A. A.; Suh, J. O.] CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA.
[Lupinacci, A.; Minor, A. M.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Lupinacci, A.; Minor, A. M.] Natl Ctr Electron Microscopy, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Shapiro, AA (reprint author), CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA.
EM Andrew.A.Shapiro@jpl.nasa.gov
NR 10
TC 0
Z9 0
U1 1
U2 11
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 1550-5723
BN 978-1-4673-6091-3; 978-1-4673-6093-7
J9 INT SYM ADV PKG MAT
PY 2013
PG 6
WC Engineering, Electrical & Electronic; Materials Science,
Multidisciplinary
SC Engineering; Materials Science
GA BFN19
UT WOS:000320594100010
ER
PT S
AU Su, J
Liu, WP
Shu, NC
Yan, SQ
Smith, MS
Wang, JS
Yang, YY
Li, XQ
He, C
Li, ZH
Guo, B
Huang, WZ
Zeng, S
Li, ET
Jin, SJ
Liu, X
Wang, YB
Lian, G
Li, YJ
Chen, YS
Bai, XX
AF Su, J.
Liu, W. P.
Shu, N. C.
Yan, S. Q.
Smith, M. S.
Wang, J. S.
Yang, Y. Y.
Li, X. Q.
He, C.
Li, Z. H.
Guo, B.
Huang, W. Z.
Zeng, S.
Li, E. T.
Jin, S. J.
Liu, X.
Wang, Y. B.
Lian, G.
Li, Y. J.
Chen, Y. S.
Bai, X. X.
BE Liu, W
Hatanaka, K
Zhu, S
Aoi, N
TI The half-lives of Mn-50, Fe-51, Co-52,Co-53, and Ni-53,Ni-54
SO 8TH CHINA-JAPAN JOINT NUCLEAR PHYSICS SYMPOSIUM (CJJNPS2012)
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 8th China-Japan Joint Nuclear Physics Symposium (CJJNPS)
CY OCT 15-19, 2012
CL China Inst Atom Energy (CIAE), Beijing, PEOPLES R CHINA
SP Natl Nat Sci Fdn China (NSFC), China Ctr Adv Sci & Technol, Chinese Nucl Phys Soc, Peking Univ, State Key Lab Nucl Phys & Technol, CAS, Inst Modern Phys, CAS, Shanghai Inst Appl Phys
HO China Inst Atom Energy (CIAE)
DE beta decay; half-life; rp-process
ID FERMI BETA-DECAY; X-RAY-BURSTS; RP-PROCESS; SC-42; SOLAR; V-46
AB We have measured the beta decay half-lives of Mn-50, Fe-51, Co-52,Co-53, and Ni-53,Ni-54 produced via the Ni-58 projectile fragmentation. The uncertainty of Co-52 half-life was reduced by a factor of 3 compared to the previous result. The half- lives were evaluated with the previous values and used as inputs of nucleosynthesis calculations of the rapid proton-capture process in an x-ray burst.
C1 [Su, J.; Liu, W. P.; Shu, N. C.; Yan, S. Q.; Li, Z. H.; Guo, B.; Huang, W. Z.; Zeng, S.; Li, E. T.; Jin, S. J.; Liu, X.; Wang, Y. B.; Lian, G.; Li, Y. J.; Chen, Y. S.; Bai, X. X.] China Inst Atom Energy, POB 275 10, Beijing 102413, Peoples R China.
[Smith, M. S.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.
[Wang, J. S.; Yang, Y. Y.] Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China.
[Li, X. Q.; He, C.] Peking Univ, Sch Phys, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China.
RP Su, J (reprint author), China Inst Atom Energy, POB 275 10, Beijing 102413, Peoples R China.
FU National Natural Science Foundation of China [11021504, 10979026,
11105228]; 973 Program [2013CB834406]
FX This work is supported by the National Natural Science Foundation of
China under Grant Nos. 11021504, 10979026, 11105228, the 973 Program
under Grand No. 2013CB834406.
NR 20
TC 0
Z9 0
U1 0
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1157-9
J9 AIP CONF PROC
PY 2013
VL 1533
BP 78
EP 83
DI 10.1063/1.4806780
PG 6
WC Physics, Applied; Physics, Nuclear
SC Physics
GA BFO83
UT WOS:000320779500011
ER
PT J
AU Liu, QH
Turhan, A
Zawodzinski, TA
Mench, MM
AF Liu, Qinghua
Turhan, Ahmet
Zawodzinski, Thomas A.
Mench, Matthew M.
TI In situ potential distribution measurement in an all-vanadium flow
battery
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID SCALE ENERGY-STORAGE; PERFORMANCE; ELECTRODE; CELL; PROGRESS; MODEL
AB An experimental method for measurement of local redox potential within multilayer electrodes was developed and applied to all-vanadium redox flow batteries (VRFBs). Through-plane measurement at the positive side reveals several important phenomena including potential distribution, concentration distribution of active species and the pre-dominant reaction location within the porous carbon electrodes.
C1 [Liu, Qinghua; Turhan, Ahmet; Zawodzinski, Thomas A.; Mench, Matthew M.] Univ Tennessee, BRANE Lab, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA.
[Liu, Qinghua; Turhan, Ahmet; Zawodzinski, Thomas A.; Mench, Matthew M.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Zawodzinski, Thomas A.; Mench, Matthew M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Mench, MM (reprint author), Univ Tennessee, BRANE Lab, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA.
EM mmench@utk.edu
FU NSF [0644811]; TN-Score [NSF EPS-1004083]
FX This work was partially funded by the NSF Early Career Development Award
#0644811. Partial support of this work was also provided through
TN-Score (NSF EPS-1004083).
NR 25
TC 16
Z9 16
U1 3
U2 103
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2013
VL 49
IS 56
BP 6292
EP 6294
DI 10.1039/c3cc42092b
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 166LJ
UT WOS:000320555800014
PM 23736771
ER
PT J
AU Starr, DE
Liu, Z
Havecker, M
Knop-Gericke, A
Bluhm, H
AF Starr, D. E.
Liu, Z.
Haevecker, M.
Knop-Gericke, A.
Bluhm, H.
TI Investigation of solid/vapor interfaces using ambient pressure X-ray
photoelectron spectroscopy
SO CHEMICAL SOCIETY REVIEWS
LA English
DT Review
ID IN-SITU XPS; PREFERENTIAL CO OXIDATION; CATALYZED ALKYNE HYDROGENATION;
CATALYTICALLY ACTIVE STATES; OXIDE ELECTROCHEMICAL-CELLS;
CERIA-SUPPORTED CATALYSTS; DENSITY-FUNCTIONAL THEORY; SUM-FREQUENCY
GENERATION; CARBON NANOTUBE GROWTH; GAS SHIFT REACTION
AB Heterogeneous chemical reactions at vapor/solid interfaces play an important role in many processes in the environment and technology. Ambient pressure X-ray photoelectron spectroscopy (APXPS) is a valuable tool to investigate the elemental composition and chemical specificity of surfaces and adsorbates on the molecular scale at pressures of up to 130 mbar. In this review we summarize the historical development of APXPS since its introduction over forty years ago, discuss different approaches to minimize scattering of electrons by gas molecules, and give a comprehensive overview about the experimental systems (vapor/solid interfaces) that have been studied so far. We also present several examples for the application of APXPS to environmental science, heterogeneous catalysis, and electrochemistry.
C1 [Starr, D. E.] Helmholtz Zentrum Berlin Mat & Energie GmbH, Solar Energy Res, EMIL, D-12489 Berlin, Germany.
[Liu, Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Haevecker, M.; Knop-Gericke, A.] Max Planck Gesell, Fritz Haber Inst, Dept Inorgan Chem, D-14195 Berlin, Germany.
[Haevecker, M.] Helmholtz Zentrum Berlin Mat & Energie GmbH, Catalysis Energy, Grp E GKAT, D-12489 Berlin, Germany.
[Bluhm, H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Bluhm, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
EM hbluhm@lbl.gov
RI Liu, Zhi/B-3642-2009
OI Liu, Zhi/0000-0002-8973-6561
FU Office of Energy Research, Office of Basic Energy Sciences, and Chemical
Sciences Division of the U.S. Department of Energy [DE-AC02-05CH11231];
Office of Science, Biological and Environmental Research, Environmental
Remediation Sciences Division (ERSD), U.S. Department of Energy
[DE-AC02-05CH11231]; Silicon In situ Spectroscopy@the Sychrotron (SISSY)
project within the Bundesministerium fur Bildung und Forschung (BMBF)
[03SF0403]; European Union (Technotubes Project)
FX The Advanced Light Source and beamline 11.0.2 are supported by the
Director, Office of Energy Research, Office of Basic Energy Sciences,
and Chemical Sciences Division of the U.S. Department of Energy under
contracts No. DE-AC02-05CH11231. This work was also supported by the
Office of Science, Biological and Environmental Research, Environmental
Remediation Sciences Division (ERSD), U.S. Department of Energy under
Contract No. DE-AC02-05CH11231. DES acknowledges support through the
Silicon In situ Spectroscopy@the Sychrotron (SISSY) project within the
Bundesministerium fur Bildung und Forschung (BMBF project number
03SF0403). The Helmholtz-Zentrum Berlin (Electron Storage Ring BESSY II)
is acknowledged for provision of synchrotron radiation at beamline
ISISS. Part of the work was supported by the European Union (Technotubes
Project).
NR 249
TC 106
Z9 106
U1 25
U2 259
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0306-0012
EI 1460-4744
J9 CHEM SOC REV
JI Chem. Soc. Rev.
PY 2013
VL 42
IS 13
BP 5833
EP 5857
DI 10.1039/c3cs60057b
PG 25
WC Chemistry, Multidisciplinary
SC Chemistry
GA 160LC
UT WOS:000320120000011
PM 23598709
ER
PT J
AU Wang, WH
Suna, Y
Himeda, Y
Muckerman, JT
Fujita, E
AF Wang, Wan-Hui
Suna, Yuki
Himeda, Yuichiro
Muckerman, James T.
Fujita, Etsuko
TI Functionalized cyclopentadienyl rhodium(III) bipyridine complexes:
synthesis, characterization, and catalytic application in hydrogenation
of ketones
SO DALTON TRANSACTIONS
LA English
DT Article
ID MULTIPLY SUBSTITUTED CYCLOPENTADIENES; ASYMMETRIC TRANSFER
HYDROGENATION; HETEROCYCLIC CARBENE COMPLEXES; ELECTROCHEMICAL
PROPERTIES; IRIDIUM CATALYST; CARBON-DIOXIDE; RUTHENIUM; LIGANDS;
GENERATION; EXCHANGE
AB A series of highly functionalized cyclopentadienyl rhodium(III) complexes, [Cp'Rh(bpy) Br](ClO4) (Cp' = substituted cyclopentadienyl), was synthesized from various multi-substituted cyclopentadienes (Cp'H). [Rh(cod) Cl] 2 and Cp'H were firstly converted to [Cp'Rh(cod)] complexes, which were then treated with Br-2 to give the rhodium(III) dibromides [Cp'RhBr2](2). The novel complexes [Cp'Rh(bpy) Br](ClO4) were obtained readily by the reaction of 2,2'-bipyridine with [Cp'RhBr2](2). These rhodium complexes [Cp'Rh(bpy) Br](ClO4) were fully characterized and utilized in the hydrogenation of cyclohexanone and acetophenone with generally high yields, but they did not exhibit the same reactivity trends for the two substrate ketones. The different activity of these complexes for the different substrates may be due to the influence of the substituents on the Cp' rings.
C1 [Wang, Wan-Hui; Suna, Yuki; Himeda, Yuichiro] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki 3058565, Japan.
[Wang, Wan-Hui; Himeda, Yuichiro] JST, ACT C, Kawaguchi, Saitama 3320012, Japan.
[Muckerman, James T.; Fujita, Etsuko] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Himeda, Y (reprint author), Natl Inst Adv Ind Sci & Technol, Tsukuba Cent 5-2,1-1-1 Higashi, Tsukuba, Ibaraki 3058565, Japan.
EM himeda.y@aist.go.jp
RI Himeda, Yuichiro/E-8613-2014; Wang, Wan-Hui/J-8773-2012
OI Wang, Wan-Hui/0000-0002-5943-4589
FU JST; ACT-C; U.S. Department of Energy Division of Chemical Sciences,
Geosciences, and Biosciences, Office of Basic Energy Sciences
[DE-AC02-98CH10886]; Brookhaven National Laboratory
FX Y.H. and W.-H. W. acknowledge JST, ACT-C for financial support. J.T.M.
and E.F. thank the U.S. Department of Energy and its Division of
Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy
Sciences for funding under contract DE-AC02-98CH10886 with Brookhaven
National Laboratory. We thank Dr Midori Goto and Dr Hide Kambayashi for
X-ray crystallography.
NR 49
TC 1
Z9 1
U1 1
U2 64
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2013
VL 42
IS 26
BP 9628
EP 9636
DI 10.1039/c3dt50445j
PG 9
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 162DZ
UT WOS:000320246200028
PM 23677258
ER
PT J
AU Villa, EM
Juan, DW
Alekseev, EV
Depmeier, W
Albrecht-Schmitt, TE
AF Villa, Eric M.
Juan Diwu
Alekseev, Evgeny V.
Depmeier, Wulf
Albrecht-Schmitt, Thomas E.
TI Structural changes within the alkaline earth uranyl phosphites
SO DALTON TRANSACTIONS
LA English
DT Article
ID CRYSTAL-STRUCTURE; URANIUM PHOSPHITES; HYDROTHERMAL SYNTHESES; STRUCTURE
VALIDATION; HEXAVALENT URANIUM; SOLID-SOLUTIONS; LEACHING TESTS; U6+
MINERALS; PLUTONIUM; CHEMISTRY
AB Three new alkaline earth (AE) uranyl phosphites and one barium uranium(IV) phosphate were synthesized under hydrothermal conditions. The carbonate salts of the AE's were employed both as cation sources and as pH regulators. Despite having very similar formulas and uranyl building units, the Ca2+, Sr2+ and Ba2+ uranyl phosphites have three different extended networks. The calcium compound also contains a Ca2+/UO22+ mixed cation position. The four structure types will be presented herein with the AE cations generating distinct structural transformations.
C1 [Villa, Eric M.; Albrecht-Schmitt, Thomas E.] Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA.
[Villa, Eric M.; Juan Diwu; Albrecht-Schmitt, Thomas E.] Univ Notre Dame, Dept Civil & Environm Engn & Earth Sci, Notre Dame, IN 46556 USA.
[Villa, Eric M.; Juan Diwu; Albrecht-Schmitt, Thomas E.] Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA.
[Juan Diwu] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Juan Diwu] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Alekseev, Evgeny V.] Forschungszentrum Julich, Inst Energy & Climate Res IEK 6, D-52428 Julich, Germany.
[Alekseev, Evgeny V.] Rhein Westfal TH Aachen, Inst Kristallog, D-52066 Aachen, Germany.
[Depmeier, Wulf] Univ Kiel, Inst Geowissensch, D-24118 Kiel, Germany.
RP Albrecht-Schmitt, TE (reprint author), Florida State Univ, Dept Chem & Biochem, 102 Vars Way, Tallahassee, FL 32306 USA.
EM e.alekseev@fz-juelich.de; talbrechtschmitt@gmail.com
RI Villa, Eric/B-5305-2016;
OI Villa, Eric/0000-0001-9883-1993; Alekseev, Evgeny/0000-0002-4919-5211
FU Materials Science of Actinides; Energy Frontier Research Center; U.S.
Department of Energy, Office of Science, Office of Basic Energy Sciences
[DE-SC0001089]; Helmholtz Association [VH-NG-815]
FX The authors are grateful for support provided as part of the Materials
Science of Actinides, an Energy Frontier Research Center funded by the
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences under Award Number DE-SC0001089. We would also like to thank
the Center for Sustainable Energy at Notre Dame for the use of their
instrumentation. EVA was supported by VH-NG-815 grant of the Helmholtz
Association.
NR 56
TC 4
Z9 4
U1 1
U2 15
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2013
VL 42
IS 26
BP 9637
EP 9644
DI 10.1039/c3dt50769f
PG 8
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 162DZ
UT WOS:000320246200029
PM 23677038
ER
PT S
AU Aarts, G
Allton, C
Kelly, A
Skullerud, JI
Kim, S
Harris, T
Ryan, SM
Lombardo, MP
Oktay, MB
Sinclair, DK
AF Aarts, G.
Allton, C.
Kelly, A.
Skullerud, J. -I.
Kim, S.
Harris, T.
Ryan, S. M.
Lombardo, M. P.
Oktay, M. B.
Sinclair, D. K.
GP Institute of Physics
TI Bottomonium from lattice QCD as a probe of the Quark-Gluon Plasma
SO EXTREME QCD 2012 (XQCD)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 10th Extreme QCD Conference (xQCD)
CY AUG 21-23, 2012
CL George Washington Univ, Washington, DC
HO George Washington Univ
AB We study the temperature dependence of bottomonium for temperatures in the range 0.4T(c) < T < 2.1T(c), using non-relativistic dynamics for the bottom quark and full relativistic lattice QCD simulations for N (f) - 2 light flavors. We consider the behaviour of the correlators in Euclidean space, we analyze the associated spectral functions and we study the dependence on the momentum. Our results are amenable to a successful comparison with effective field theories. They help build a coherent picture of the behaviour of bottomonium in the plasma, consistent which the current LHC results.
C1 [Aarts, G.; Allton, C.] Swansea Univ, Dept Phys, Swansea, West Glam, Wales.
[Kelly, A.; Skullerud, J. -I.] Natl Univ Ireland Maynooth, Dept Math Phys, Maynooth, Kildare, Ireland.
[Kim, S.] Sejong Univ, Dept Phys, Seoul 143747, South Korea.
[Harris, T.; Ryan, S. M.] Trinity Coll Dublin, Sch Math, Dublin 2, Ireland.
[Lombardo, M. P.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy.
[Oktay, M. B.] Univ Utah, Dept Phys, Salt Lake City, UT 84112 USA.
[Sinclair, D. K.] Argonne Natl Lab, HEP Div, Argonne, IL 60439 USA.
RP Aarts, G (reprint author), Swansea Univ, Dept Phys, Swansea, West Glam, Wales.
OI Skullerud, Jon-Ivar/0000-0002-8255-0043; Aarts, Gert/0000-0002-6038-3782
NR 23
TC 2
Z9 2
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 432
AR UNSP 012014
DI 10.1088/1742-6596/432/1/012014
PG 10
WC Physics, Particles & Fields
SC Physics
GA BFM51
UT WOS:000320537200014
ER
PT S
AU Bazavov, A
Petreczky, P
AF Bazavov, A.
Petreczky, P.
GP Institute of Physics
TI Static quark correlators and quarkonium properties at non-zero
temperature
SO EXTREME QCD 2012 (XQCD)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 10th Extreme QCD Conference (xQCD)
CY AUG 21-23, 2012
CL George Washington Univ, Washington, DC
HO George Washington Univ
ID FINITE-TEMPERATURE; SPECTRAL FUNCTIONS; HEAVY QUARKONIUM;
FIELD-THEORIES; QCD
AB We discuss different static quark correlators, including Wilson loops in 2+1 flavor QCD at non-zero temperature and their relation to in-medium quarkonium properties. We present lattice results on static correlation functions obtained with highly improved staggered fermion action and their implications for potential models.
C1 [Bazavov, A.; Petreczky, P.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
RP Bazavov, A (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
EM bazavov@bnl.gov; petreczk@bnl.gov
NR 38
TC 2
Z9 2
U1 0
U2 2
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 432
AR UNSP 012003
DI 10.1088/1742-6596/432/1/012003
PG 10
WC Physics, Particles & Fields
SC Physics
GA BFM51
UT WOS:000320537200003
ER
PT S
AU Ding, HT
AF Ding, Heng-Tong
GP Institute of Physics
TI Exploring QCD phase diagram at vanishing baryon density on the lattice
SO EXTREME QCD 2012 (XQCD)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 10th Extreme QCD Conference (xQCD)
CY AUG 21-23, 2012
CL George Washington Univ, Washington, DC
HO George Washington Univ
ID CHIRAL CRITICAL-POINT; FINITE-TEMPERATURE; 3-FLAVOR QCD; CHROMODYNAMICS;
TRANSITION
AB I report on the current status of QCD phase diagram at vanishing baryon density. I focus on the QCD phase diagram with three degenerate quark flavor using Highly Improved Staggered Quarks on N-tau = 6 lattices. No evidence of a first order phase transition in the pion mass window of 80 less than or similar to m(pi) less than or similar to 230 MeV is found. The pion mass at the critical point where the chiral first order phase transition ends is estimated to be m(pi)(c) less than or similar to 45 MeV.
C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
RP Ding, HT (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
EM htding@quarkphy.bnl.gov
OI Ding, Heng-Tong/0000-0003-0590-081X
NR 26
TC 1
Z9 1
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 432
AR UNSP 012027
DI 10.1088/1742-6596/432/1/012027
PG 5
WC Physics, Particles & Fields
SC Physics
GA BFM51
UT WOS:000320537200027
ER
PT S
AU Dumitru, A
AF Dumitru, Adrian
GP Institute of Physics
TI Effective matrix models for deconfinement in SU(N) and G(2) gauge
theories
SO EXTREME QCD 2012 (XQCD)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 10th Extreme QCD Conference (xQCD)
CY AUG 21-23, 2012
CL George Washington Univ, Washington, DC
HO George Washington Univ
AB I present a simple matrix model for the deconfined phase of SU(N) theories at temperatures just above T-c. The model is designed to reproduce the anomaly, in particular the flatness of (e - 3p)/T-2 above similar to 1.2T(c) observed by lattice simulations with up to six colors. Furthermore, it predicts the existence of an adjoint Higgs phase where the masses of diagonal and off-diagonal gluons split and that the phase transition of SU(N) with three or more colors, and for exceptional groups with a trivial center such as G(2), is generically of first order. For G(2) gauge group, a small value of the Polyakov loop at T-c(-) can be obtained with a non-perturbative potential summed over the roots of SU(7) rather than G(2), which implements the principle of maximal eigenvalue repulsion.
C1 Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA.
RP Dumitru, A (reprint author), Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA.
EM adrian.dumitru@baruch.cuny.edu
NR 9
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 432
AR UNSP 012006
DI 10.1088/1742-6596/432/1/012006
PG 5
WC Physics, Particles & Fields
SC Physics
GA BFM51
UT WOS:000320537200006
ER
PT S
AU Maezawa, Y
AF Maezawa, Yu
GP Institute of Physics
TI Anomaly-induced charges in nucleons
SO EXTREME QCD 2012 (XQCD)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 10th Extreme QCD Conference (xQCD)
CY AUG 21-23, 2012
CL George Washington Univ, Washington, DC
HO George Washington Univ
ID SKYRME MODEL
AB We suggest a novel charge structure inside nucleons in electromagnetic field due to the chiral anomaly. We use Skyrmions, where nucleons appear as solitons of mesons, to calculate the charge distributions in a single nucleon and find that an additional non-integer charge proportional to the magnetic field would be produced. This might look surprising, but the magnitude of the induced charge is evaluated to be tiny enough to have not been observed yet.
C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
RP Maezawa, Y (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
EM ymaezawa@bnl.gov
NR 8
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 432
AR UNSP 012030
DI 10.1088/1742-6596/432/1/012030
PG 5
WC Physics, Particles & Fields
SC Physics
GA BFM51
UT WOS:000320537200030
ER
PT S
AU Skokov, V
AF Skokov, Vladimir
GP Institute of Physics
TI Photon azimuthal anizotropy and magnetic field in heavy-ion collisions
SO EXTREME QCD 2012 (XQCD)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 10th Extreme QCD Conference (xQCD)
CY AUG 21-23, 2012
CL George Washington Univ, Washington, DC
HO George Washington Univ
ID QUARK-GLUON PLASMA; ANOMALIES; EVENT
AB Recent measurements of the azimuthal anisotropy of direct photons in heavy-ion collisions at the energies of RHIC showed that it is of the same order as the hadronic one. This finding appears to contradict the expected dominance of photon production from a quark-gluon plasma at an early stage of a heavy-ion collision. A possible explanation of the strong azimuthal anisotropy of the photons, given recently, is based on the presence of a large magnetic field in the early phase of a collision. In this talk, we consider a novel photon production mechanism stemming from the conformal anomaly of QCDxQED and the existence of strong (electro)magnetic fields in heavy ion collisions. Using the hydrodynamical description of the bulk modes of QCD plasma, we show that this mechanism leads to the photon production yield that is comparable to the yield from conventional sources. The comparison of the results to the data from the PHENIX collaboration, show that this mechanism might be the most responsible for the observed azimuthal anisotropy of photons.
C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
RP Skokov, V (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
EM VSkokov@bnl.gov
OI Skokov, Vladimir/0000-0001-7619-1796
NR 26
TC 3
Z9 3
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2013
VL 432
AR UNSP 012021
DI 10.1088/1742-6596/432/1/012021
PG 5
WC Physics, Particles & Fields
SC Physics
GA BFM51
UT WOS:000320537200021
ER
PT J
AU Chen, R
Song, J
Lin, TY
Aizin, GR
Kawano, Y
Aoki, N
Ochiai, Y
Whiteside, VR
McCombe, BD
Thomas, D
Einhorn, M
Reno, JL
Strasser, G
Bird, JP
AF Chen, Rui
Song, Jungwoo
Lin, Teng-Yin
Aizin, Gregory R.
Kawano, Yukio
Aoki, Nobuyuki
Ochiai, Yuichi
Whiteside, Vincent R.
McCombe, Bruce D.
Thomas, David
Einhorn, Mike
Reno, John L.
Strasser, Gottfried
Bird, Jonathan P.
TI Terahertz Detection With Nanoscale Semiconductor Rectifiers
SO IEEE SENSORS JOURNAL
LA English
DT Article
DE Nanoelectronics; rectifiers; terahertz science; terahertz technology
ID QUANTUM; PERFORMANCE
AB In this paper, we describe our ongoing research on CMOS-compatible semiconductor nanosensors for broadband terahertz (THz) detection. We review the results of earlier work, which reveal the promise of THz rectification by nanoconstrictions, and present proof-of-concept results showing efficient THz detection at room temperature.
C1 [Chen, Rui; Song, Jungwoo; Lin, Teng-Yin; Bird, Jonathan P.] SUNY Buffalo, Dept Elect Engn, Buffalo, NY 14260 USA.
[Aizin, Gregory R.] CUNY, Kingsborough Community Coll, Dept Phys Sci, Brooklyn, NY 11235 USA.
[Kawano, Yukio] Tokyo Inst Technol, Dept Phys Elect, Tokyo 1528552, Japan.
[Aoki, Nobuyuki; Ochiai, Yuichi] Chiba Univ, Grad Sch Adv Integrat Sci, Chiba 2638522, Japan.
[Whiteside, Vincent R.; McCombe, Bruce D.] SUNY Buffalo, Dept Phys, Buffalo, NY 14260 USA.
[Thomas, David; Einhorn, Mike] Div AEgis Technol Inc, Nanogenesis, Huntsville, AL 35806 USA.
[Reno, John L.] Sandia Natl Labs, CINT, Albuquerque, NM 87185 USA.
[Strasser, Gottfried] Vienna Univ Technol, Ctr Micro & Nanostruct, A-1040 Vienna, Austria.
[Strasser, Gottfried] Vienna Univ Technol, Inst Solid State Elect, A-1040 Vienna, Austria.
RP Chen, R (reprint author), SUNY Buffalo, Dept Elect Engn, Buffalo, NY 14260 USA.
EM rchen8@buffalo.edu; jungwoossong@gmail.com; eblreservation@gmail.com;
gaizin@kbcc.cuny.edu; kawano@pe.titech.ac.jp; n-aoki@faculty.chiba-u.jp;
ochiai@faculty.chiba-u.jp; vrw@buffalo.edu; mccombe@buffalo.edu;
dthomas@nanogenesisgroup.com; meinhorn@nanogenesisgroup.com;
jlreno@sandia.gov; gottfried.strasser@tuwien.ac.at; jbird@buffalo.edu
RI Bird, Jonathan/G-4068-2010; Strasser, Gottfried/E-3274-2010
OI Bird, Jonathan/0000-0002-6966-9007; Strasser,
Gottfried/0000-0003-0147-0883
FU NSF [ECS-0609146]; DoE [DE-FG03-01ER45920]; PSC-CUNY [62040-00 40];
AFOSR STTR [FA9550-10-C-0118]; U.S. Department of Energy's National
Nuclear Security Administration [AC04-94AL85000]
FX This work was supported by the NSF Grant ECS-0609146, DoE Grant
DE-FG03-01ER45920, PSC-CUNY Grant 62040-00 40, and AFOSR STTR Grant
FA9550-10-C-0118. This work was performed in part at the Center for
Integrated Nanotechnologies, a U.S. Department of Energy, an Office of
Basic Energy Sciences user facility. Sandia National Laboratories is a
Multi-Program Laboratory managed and operated by Sandia Corporation, a
wholly owned subsidiary of Lockheed Martin Corporation, for the U.S.
Department of Energy's National Nuclear Security Administration under
Contract DE-AC04-94AL85000. The associate editor coordinating the review
of this paper and approving it for publication was Dr. Francis P.
Hindle.
NR 23
TC 1
Z9 1
U1 0
U2 4
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1530-437X
EI 1558-1748
J9 IEEE SENS J
JI IEEE Sens. J.
PD JAN
PY 2013
VL 13
IS 1
DI 10.1109/JSEN.2012.2216522
PG 7
WC Engineering, Electrical & Electronic; Instruments & Instrumentation;
Physics, Applied
SC Engineering; Instruments & Instrumentation; Physics
GA 166ZB
UT WOS:000320598600004
ER
PT J
AU Margulis, GY
Lim, B
Hardin, BE
Unger, EL
Yum, JH
Feckl, JM
Fattakhova-Rohlfing, D
Bein, T
Gratzel, M
Sellinger, A
McGehee, MD
AF Margulis, George Y.
Lim, Bogyu
Hardin, Brian E.
Unger, Eva L.
Yum, Jun-Ho
Feckl, Johann M.
Fattakhova-Rohlfing, Dina
Bein, Thomas
Graetzel, Michael
Sellinger, Alan
McGehee, Michael D.
TI Highly soluble energy relay dyes for dye-sensitized solar cells
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID MESOPOROUS TITANIA FILMS; RUTHENIUM DYES; ORGANIC-DYE; EFFICIENCY;
COSENSITIZATION; RECOMBINATION; PERFORMANCE; IMPROVEMENT; STRATEGY;
ELECTRON
AB High solubility is a requirement for energy relay dyes (ERDs) to absorb a large portion of incident light and significantly improve the efficiency of dye-sensitized solar cells (DSSCs). Two benzonitrile-soluble ERDs, BL302 and BL315, were synthesized, characterized, and resulted in a 65% increase in the efficiency of TT1-sensitized DSSCs. The high solubility (180 mM) of these ERDs allows for absorption of over 95% of incident light at their peak wavelength. The overall power conversion efficiency of DSSCs with BL302 and BL315 was found to be limited by their energy transfer efficiency of approximately 70%. Losses due to large pore size, dynamic collisional quenching of the ERD, energy transfer to desorbed sensitizing dyes and static quenching by complex formation were investigated and it was found that a majority of the losses are caused by the formation of statically quenched ERDs in solution.
C1 [Margulis, George Y.] Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA.
[Lim, Bogyu; Unger, Eva L.; McGehee, Michael D.] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA.
[Hardin, Brian E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Yum, Jun-Ho; Graetzel, Michael] Ecole Polytech Fed Lausanne, Lab Photon & Interfaces, CH-1015 Lausanne, Switzerland.
[Feckl, Johann M.; Fattakhova-Rohlfing, Dina; Bein, Thomas] Univ Munich, Dept Chem, D-81377 Munich, Germany.
[Feckl, Johann M.; Fattakhova-Rohlfing, Dina; Bein, Thomas] Univ Munich, Ctr NanoSci CeNS, D-81377 Munich, Germany.
[Sellinger, Alan] Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA.
RP Sellinger, A (reprint author), Colorado Sch Mines, Dept Chem & Geochem, Coolbaugh Hall,1012 14th St, Golden, CO 80401 USA.
EM bein@lmu.de; michael.graetzel@epfl.ch; aselli@mines.edu;
mmcgehee@stanford.edu
RI Fattakhova-Rohlfing, Dina/E-7967-2012; Bein, Thomas/G-7686-2014; Lim,
Bogyu/A-6737-2011; Unger, Eva/N-6230-2014; Sellinger, Alan/C-6250-2015;
YUM, Jun-Ho/N-6183-2016
OI Fattakhova-Rohlfing, Dina/0000-0003-2008-0151; Bein,
Thomas/0000-0001-7248-5906; Unger, Eva/0000-0002-3343-867X; Sellinger,
Alan/0000-0001-6705-1548;
FU Office of Naval Research (ONR) [N000141110244]; ABB Stanford Graduate
Fellowship in Science and Engineering
FX This work was supported by the Office of Naval Research (ONR) under
grant N000141110244. G.Y.M. would like to acknowledge the support of the
ABB Stanford Graduate Fellowship in Science and Engineering. We would
like to thank Professor Tomas Torres (Universidad Autonoma de Madrid)
for providing TT1 dye.
NR 38
TC 17
Z9 17
U1 1
U2 53
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 27
BP 11306
EP 11312
DI 10.1039/c3cp51018b
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 166MB
UT WOS:000320557600015
PM 23733016
ER
PT S
AU Meyer, FW
Harris, PR
Meyer, HM
Hijazi, H
Barghouty, AF
AF Meyer, F. W.
Harris, P. R.
Meyer, H. M., III
Hijazi, H.
Barghouty, A. F.
BE Zank, GP
Borovsky, J
Bruno, R
Cirtain, J
Cranmer, S
Elliott, H
Giacalone, J
Gonzalez, W
Li, G
Marsch, E
Moebius, E
Pogorelov, N
Spann, J
Verkhoglyadova, O
TI Kinetic And Potential Sputtering Of Lunar Regolith: The Contribution Of
The Heavy (Minority) Solar Wind Ions
SO PROCEEDINGS OF THE THIRTEENTH INTERNATIONAL SOLAR WIND CONFERENCE (SOLAR
WIND 13)
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 13th International Solar Wind Conference (Solar Wind)
CY JUN 17-22, 2012
CL HI
SP Natl Sci Fdn (NSF), Int Conf & Networking Solut (ICNS)
DE Solar wind; Sputtering; Lunar regolith; Ion-surface interactions
ID HYDROGEN; SURFACE; POLES
AB In this paper the sputtering of lunar regolith by protons and solar wind heavy ions is considered. From preliminary measurements of H+, Ar+1, Ar+6 and Ar+9 ion sputtering of JSC-1A AGGL lunar regolith simulant at solar wind velocities, and TRIM simulations of kinetic sputtering yields, the relative contributions of kinetic and potential sputtering contributions are estimated. An 80-fold enhancement of oxygen sputtering by Ar+ over same-velocity H+, and an additional x2 increase for Ar+9 over same-velocity Ar+ was measured. This enhancement persisted to the maximum fluences investigated (similar to 10(16)/cm(2)). Modeling studies including the enhanced oxygen ejection by potential sputtering due to the minority heavy ion multicharged ion solar wind component, and the kinetic sputtering contribution of all solar wind constituents, as determined from TRIM sputtering simulations, indicate an overall 35% reduction of near-surface oxygen abundance. XPS analyses of simulant samples exposed to singly and multicharged Ar ions show the characteristic signature of reduced (metallic) Fe, consistent with the preferential ejection of oxygen atoms that can occur in potential sputtering of some metal oxides.
C1 [Meyer, F. W.; Harris, P. R.; Hijazi, H.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.
RP Meyer, FW (reprint author), Oak Ridge Natl Lab, Div Phys, POB 2008, Oak Ridge, TN 37831 USA.
EM meyerfw@ornl.gov
NR 14
TC 0
Z9 0
U1 0
U2 4
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1163-0
J9 AIP CONF PROC
PY 2013
VL 1539
BP 410
EP 413
DI 10.1063/1.4811072
PG 4
WC Energy & Fuels; Physics, Applied
SC Energy & Fuels; Physics
GA BFQ76
UT WOS:000320997100097
ER
PT J
AU Sturzbecher-Hoehne, M
Deblonde, GJP
Abergel, RJ
AF Sturzbecher-Hoehne, M.
Deblonde, G. J. -P.
Abergel, R. J.
TI Solution thermodynamic evaluation of hydroxypyridinonate chelators
3,4,3-LI(1,2-HOPO) and 5-LIO(Me-3,2-HOPO) for UO2(VI) and Th(IV)
decorporation
SO RADIOCHIMICA ACTA
LA English
DT Article
DE Spectrophotometric titration; Actinide decorporation;
Hydroxypyridinonate ligands; UO2 complexes; Th complexes
ID SEQUESTERING AGENTS; EQUILIBRIUM-CONSTANTS; ACTINIDE CHELATORS;
COMPLEX-FORMATION; LIGANDS; PROGRAM; THORIUM(IV); STABILITY; EFFICACY;
IONS
AB Solution thermodynamic studies were performed to characterize the coordination of U(VI) and Th(IV) by the multidentate hydroxypyridinonate chelating agents 3,4,3-LI(1,2-HOPO) and 5-LIO(Me-3,2-HOPO). Species distribution and conditional stability pM profiles were calculated based on the determined formation constants, showing that both ligands form extremely stable uranyl and thorium complexes in solution. At physiological pH, the formation of 1:1 ligand : uranyl complexes is favored for both ligands, while a 2:1 ligand : thorium complex is predominant with the tetradentate 5-LIO(Me-3,2-HOPO). Comparisons with functionally similar bidentate ligands as well as with the common actinide chelator diethylenetriamine pentaacetic acid emphasized the superior affinity for U(VI) and Th(IV) of both experimental compounds over a wide pH range. These analytical results corroborate the in vivo chelation efficacy of 3,4,3-LI(1,2-HOPO) and 5-LIO(Me-3,2-HOPO) and validate their selection for further development as therapeutic actinide decorporation agents.
C1 [Sturzbecher-Hoehne, M.; Deblonde, G. J. -P.; Abergel, R. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Glenn T Seaborg Ctr, Berkeley, CA 94720 USA.
RP Abergel, RJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Glenn T Seaborg Ctr, Berkeley, CA 94720 USA.
EM rjabergel@lbl.gov
RI Deblonde, Gauthier/O-3881-2014
OI Deblonde, Gauthier/0000-0002-0825-8714
FU National Institutes of Health from the National Institute of Allergy and
Infectious Diseases [1RC2AI087604-01, 5RC2AI087604-02]; E. O. Lawrence
Berkeley National Laboratory, a U.S. Department of Energy Laboratory
[DE-AC02-05CH11231]
FX The authors are grateful to Prof. Kenneth N. Raymond for helpful
discussions and for his support of the actinide decorporation program at
the Lawrence Berkeley National Laboratory. This research was supported
by National Institutes of Health grants 1RC2AI087604-01 and
5RC2AI087604-02 from the National Institute of Allergy and Infectious
Diseases. The work was performed at the E. O. Lawrence Berkeley National
Laboratory, a U.S. Department of Energy Laboratory under Contract No.
DE-AC02-05CH11231.
NR 34
TC 11
Z9 11
U1 3
U2 28
PU OLDENBOURG VERLAG
PI MUNICH
PA LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY
SN 0033-8230
J9 RADIOCHIM ACTA
JI Radiochim. Acta
PY 2013
VL 101
IS 6
SI SI
BP 359
EP 366
DI 10.1524/ract.2013.2047
PG 8
WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology
SC Chemistry; Nuclear Science & Technology
GA 172UJ
UT WOS:000321030100003
ER
PT J
AU Lucchini, JF
Borkowski, M
Richmann, MK
Reed, DT
AF Lucchini, J. -F.
Borkowski, M.
Richmann, M. K.
Reed, D. T.
TI Uranium(VI) solubility in carbonate-free WIPP brine
SO RADIOCHIMICA ACTA
LA English
DT Article
DE Uranium; Solubility; WIPP; Carbonate; Borate
ID NUCLEAR-WASTE; HYDROLYSIS; SPECIATION; ENVIRONMENT; ACTINIDES;
SCHOEPITE; COMPLEXES; PLUTONIUM; CHEMISTRY; INSIGHTS
AB The solubility of uranium(VI) was determined in WIPP-relevant brines as a function of pC(H+) and ionic strength, in the absence of carbonate. Carbonate concentration was below 2 x 10(-5) M, measured using the gas chromatography method. In the absence of carbonate, the uranium(VI) solubilities were about 10(-6) M in GWB at pC(H+) >= 7 and about 10(-8)-10(-)7 M in ERDA-6 brine at pC(H+) >= 8. Solubility of uranium(VI) was also measured in NaCl media at the same levels as in ERDA-6 brine. The data established a uranium solubility that was 10-100 times lower than published results from Diaz-Arocas and Grambow [13], and they are in good agreement with modeling results and other literature data [11, 12]. In the absence of carbonate, hydrolysis was the main complexation and precipitation mechanisms for uranium(VI) solubility at high ionic strength and pC(H+) >= 7. However, the effect of borate complexation was noticeable at pC(H+) similar to 8-9.
C1 [Lucchini, J. -F.; Borkowski, M.; Richmann, M. K.; Reed, D. T.] Los Alamos Natl Lab, Earth & Environm Sci Div, Carlsbad, NM 88220 USA.
RP Lucchini, JF (reprint author), Los Alamos Natl Lab, Earth & Environm Sci Div, 115 N Main, Carlsbad, NM 88220 USA.
EM lucchini@lanl.gov
NR 35
TC 1
Z9 1
U1 0
U2 14
PU OLDENBOURG VERLAG
PI MUNICH
PA LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY
SN 0033-8230
J9 RADIOCHIM ACTA
JI Radiochim. Acta
PY 2013
VL 101
IS 6
SI SI
BP 391
EP 398
DI 10.1524/ract.2013.2029
PG 8
WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology
SC Chemistry; Nuclear Science & Technology
GA 172UJ
UT WOS:000321030100007
ER
PT J
AU Shim, YS
Moon, HG
Kim, DH
Zhang, LH
Yoon, SJ
Yoon, YS
Kang, CY
Jang, HW
AF Shim, Young-Seok
Moon, Hi Gyu
Kim, Do Hong
Zhang, Lihua
Yoon, Seok-Jin
Yoon, Young Soo
Kang, Chong-Yun
Jang, Ho Won
TI Au-decorated WO3 cross-linked nanodomes for ultrahigh sensitive and
selective sensing of NO2 and C2H5OH
SO RSC ADVANCES
LA English
DT Article
ID SEMICONDUCTOR GAS SENSORS; SURFACE-CHEMISTRY; ELECTRONIC NOSE; EXHALED
BREATH; LUNG-CANCER; THIN-FILMS; GOLD; CATALYSIS; NANORODS; CLUSTERS
AB Au-decorated WO3 cross-linked nanodomes are fabricated using soft templates composed of highly ordered polystyrene beads and self-agglomeration of Au. The distribution and size of Au nanoparticles on the surface of WO3 cross-linked nanodomes are controlled by varying the thickness of the initial Au film. The responses of Au-decorated WO3 cross-linked nanodomes to various gases such as NO2, CH3COCH3, C2H5OH, NH3, CO, H-2, and C6H6 are at least 5 times higher than those of bare WO3 cross-linked nanodomes. The response enhancement by Au decoration is dependent on the target gas, which is attributed to an interplay between electronic and chemical sensitizations. In particular, the Au-decorated WO3 cross-linked nanodomes exhibit extremely high sensitivities and selectivities, and ppt-level detection limits to NO2 and C2H5OH at 250 degrees C and 450 degrees C, respectively. These results suggest that Au-decorated WO3 cross-linked nanodomes are very promising for use in breath analysers to diagnose both asthma and lung cancer from exhaled human breath.
C1 [Shim, Young-Seok; Kim, Do Hong; Jang, Ho Won] Seoul Natl Univ, Res Inst Adv Mat, Dept Mat Sci & Engn, Seoul 151744, South Korea.
[Shim, Young-Seok; Moon, Hi Gyu; Yoon, Seok-Jin; Kang, Chong-Yun] Korea Inst Sci & Technol, Elect Mat Res Ctr, Seoul 136791, South Korea.
[Shim, Young-Seok; Yoon, Young Soo] Yonsei Univ, Dept Mat Sci & Engn, Seoul 120749, South Korea.
[Zhang, Lihua] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Kang, Chong-Yun] Korea Univ, KU KIST Grad Sch Converging Sci & Technol, Seoul 136701, South Korea.
[Yoon, Young Soo] Gachon Univ, Dept Environm & Energy Engn, Gyeonggi Do 461710, South Korea.
RP Shim, YS (reprint author), Seoul Natl Univ, Res Inst Adv Mat, Dept Mat Sci & Engn, Seoul 151744, South Korea.
EM benedicto@gachon.ac.kr; cykang@kist.re.kr; hwjang@snu.ac.kr
RI Zhang, Lihua/F-4502-2014; Jang, Ho Won/D-9866-2011;
OI Jang, Ho Won/0000-0002-6952-7359; Kang, Chong-Yun/0000-0002-4516-8160
FU Korea Ministry of Intelligence and Economy; Korea Institute of Science
and Technology; Korea Ministry of Environment; Hi Seoul Science
Fellowship from the Seoul Scholarship Foundation
FX The authors gratefully acknowledge support from the Korea Ministry of
Intelligence and Economy, the Korea Institute of Science and Technology,
and a research program of the Korea Ministry of Environment. S.Y.S. is
supported by a Hi Seoul Science Fellowship from the Seoul Scholarship
Foundation. H. W. J. is grateful to the Fusion Research Program for
Green Technologies through the National Research Foundation of Korea.
NR 41
TC 22
Z9 23
U1 3
U2 55
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2013
VL 3
IS 26
BP 10452
EP 10459
DI 10.1039/c3ra41331d
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA 160LQ
UT WOS:000320121500053
ER
PT J
AU Gartia, MR
Hsiao, A
Pokhriyal, A
Seo, S
Kulsharova, G
Cunningham, BT
Bond, TC
Liu, GL
AF Gartia, Manas Ranjan
Hsiao, Austin
Pokhriyal, Anusha
Seo, Sujin
Kulsharova, Gulsim
Cunningham, Brian T.
Bond, Tiziana C.
Liu, Gang Logan
TI Colorimetric Plasmon Resonance Imaging Using Nano Lycurgus Cup Arrays
SO ADVANCED OPTICAL MATERIALS
LA English
DT Article
ID REFRACTIVE-INDEX SENSITIVITY
C1 [Kulsharova, Gulsim; Cunningham, Brian T.; Liu, Gang Logan] Univ Illinois, Dept Elect & Comp Engn, Urbana, IL 61801 USA.
[Gartia, Manas Ranjan] Univ Illinois, Dept Nucl Plasma & Radiol Engn, Urbana, IL 61801 USA.
[Bond, Tiziana C.] Lawrence Livermore Natl Lab, Meso Micro & Nano Technol Ctr, Livermore, CA 94550 USA.
[Cunningham, Brian T.; Liu, Gang Logan] Univ Illinois, Dept Bioengn, Urbana, IL 61801 USA.
[Pokhriyal, Anusha] Univ Illinois, Dept Phys, Urbana, IL 61801 USA.
[Seo, Sujin] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA.
[Gartia, Manas Ranjan; Hsiao, Austin; Pokhriyal, Anusha; Seo, Sujin; Kulsharova, Gulsim; Cunningham, Brian T.; Liu, Gang Logan] Univ Illinois, Micro & Nano Technol Lab, Urbana, IL 61801 USA.
RP Liu, GL (reprint author), Univ Illinois, Dept Elect & Comp Engn, Urbana, IL 61801 USA.
EM loganliu@illinois.edu
FU U.S. Department of Energy [DE-FG02-07ER46453, DE-FG02-07ER46471]
FX The authors thank Jing Jiang and Te-Wei Chang for help with the SEM. We
thank Hoang Nguyen, Cindy Larson for the preparation of master
nanopillar mold. Transmission experiments were carried out in the
Frederick Seitz Materials Research Laboratory Central Facilities,
University of Illinois, which are partially supported by the U.S.
Department of Energy under Grants DE-FG02-07ER46453 and
DE-FG02-07ER46471.
NR 32
TC 42
Z9 42
U1 6
U2 38
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY
SN 2195-1071
J9 ADV OPT MATER
JI Adv. Opt. Mater.
PD JAN
PY 2013
VL 1
IS 1
BP 68
EP 76
DI 10.1002/adom.201200040
PG 9
WC Materials Science, Multidisciplinary; Optics
SC Materials Science; Optics
GA 172IZ
UT WOS:000320997600008
ER
PT J
AU Wheeler, EK
Baker, BR
Piggott, WT
Mabery, SL
Hara, CA
DeOtte, J
Benett, W
Mukerjee, EV
Dzenitis, J
Beer, NR
AF Wheeler, E. K.
Baker, B. R.
Piggott, W. T.
Mabery, S. L.
Hara, C. A.
DeOtte, J.
Benett, W.
Mukerjee, E. V.
Dzenitis, J.
Beer, N. R.
TI On-chip laser-induced DNA dehybridization
SO ANALYST
LA English
DT Article
ID POLYMERASE-CHAIN-REACTION; MICROARRAY; AMPLIFICATION; SELECTION; SYSTEM
AB Detection of pathogens and relevant genetic markers using their nucleic acid signatures is extremely common due to the inherent specificity genomic sequences provide. One approach for assaying a sample simultaneously for many different targets is the DNA microarray, which consists of several million short nucleic acid sequences (probes) bound to an inexpensive transparent substrate. Typically, complex samples hybridize to the microarray and the pattern of fluorescing probes on the microarray's surface identifies the detected targets. In the case of evolving or newly emergent organisms, a hybridization pattern can occur that differs from any previously known sources. When this happens it can be useful to recover the hybridized DNA from the binding locations of interest for sequencing. Here we present the novel utilization of a focused Infrared (IR) laser to heat user-selected spots on the DNA microarray surface, causing only localized dehybridization and recovery of the desired DNA into an elution buffer where it is available for subsequent amplification or sequencing. The introduction of a focused dehybridization method for spots of interest suppresses the amount of background DNA to be analyzed from downstream processes, and should reduce subsequent sequence assembly errors. This technique could also be applied to high-density protein microarrays where the desire to locally heat spots for release of bound molecules is desired.
C1 [Wheeler, E. K.; DeOtte, J.; Benett, W.; Mukerjee, E. V.; Dzenitis, J.; Beer, N. R.] LLNL, Ctr Micro & Nano Technol, Livermore, CA USA.
[Baker, B. R.; Mabery, S. L.; Hara, C. A.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA USA.
[Piggott, W. T.] LLNL, Comp Engn Div, Livermore, CA USA.
RP Beer, NR (reprint author), LLNL, Ctr Micro & Nano Technol, Livermore, CA USA.
EM beer2@llnl.gov
RI Baker, Brian/C-1628-2009
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; [LDRD 08-ERD-064]
FX The authors wish to acknowledge Kelly Spruiell and John Breneman for
their assistance. This work was funded by LDRD 08-ERD-064. This work
performed under the auspices of the U.S. Department of Energy by
Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.
NR 14
TC 2
Z9 2
U1 3
U2 16
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0003-2654
J9 ANALYST
JI Analyst
PY 2013
VL 138
IS 13
BP 3692
EP 3696
DI 10.1039/c3an00288h
PG 5
WC Chemistry, Analytical
SC Chemistry
GA 157DT
UT WOS:000319876800017
PM 23689934
ER
PT J
AU Chan, MN
Nah, T
Wilson, KR
AF Chan, Man Nin
Nah, Theodora
Wilson, Kevin R.
TI Real time in situ chemical characterization of sub-micron organic
aerosols using Direct Analysis in Real Time mass spectrometry (DART-MS):
the effect of aerosol size and volatility
SO ANALYST
LA English
DT Article
ID LIQUID PHASE-SEPARATION; VAPOR-PRESSURES; ION-SOURCE; PARTICLES;
MORPHOLOGY; COMPONENT; SPLAT
AB Direct Analysis in Real Time (DART) mass spectrometry is an atmospheric pressure ionization technique suitable for in situ chemical analysis of organic aerosols. Here, mass spectra are obtained by introducing a stream of nanometer-sized aerosols into the ionization region, which is an open space between the ion source and the atmospheric inlet of mass spectrometer. Model single component aerosols are used to show how the aerosol size and volatility influence the measured ion signals at different DART gas temperatures. The results show that for equivalent aerosol mass concentrations, the ion signal scales with particle surface area, with smaller diameter oleic acid aerosols yielding higher ion signals relative to larger diameter aerosols. For the aerosols of the same size, but different vapor pressures, the ion signal is larger for more volatile succinic acid aerosols than less volatile adipic and suberic acid particles. From the measured changes in aerosol size, produced by the DART source, the radial probing depth for these model aerosols range from 1 to 10 nm, the magnitude of which depends upon the physiochemical properties of the aerosols and DART gas temperature. An aerosol evaporation model reveals that the ion signal is correlated with changes in aerosol size and depends upon the total quantity of evaporated aerosol mass, consistent with a mechanism in which gas-phase molecules are first desorbed from the aerosol surface prior to ionization. The results of this work serve as a basis for future investigations of the mass spectra, ionization pathways, and probing depth of the aerosols using DART.
C1 [Chan, Man Nin; Nah, Theodora; Wilson, Kevin R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Nah, Theodora] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
RP Wilson, KR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
EM krwilson@lbl.gov
FU Department of Energy, Office of Science Early Career Research Program
through the Chemical Sciences, Geosciences, and Biosciences Division of
the U.S. Department of Energy [DE-AC02-05CH11231]
FX This work was supported by the Department of Energy, Office of Science
Early Career Research Program through the Chemical Sciences,
Geosciences, and Biosciences Division of the U.S. Department of Energy
under Contract no. DE-AC02-05CH11231.
NR 31
TC 16
Z9 16
U1 7
U2 72
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0003-2654
J9 ANALYST
JI Analyst
PY 2013
VL 138
IS 13
BP 3749
EP 3757
DI 10.1039/c3an00168g
PG 9
WC Chemistry, Analytical
SC Chemistry
GA 157DT
UT WOS:000319876800025
PM 23687648
ER
PT S
AU Lee, TG
Pindzola, MS
Colgan, J
AF Lee, Teck-Ghee
Pindzola, M. S.
Colgan, J.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Time-Dependent Close-Coupling Study of Antiproton-Impact Ionization of
Atoms and Molecules
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE atomic collisions; matter-antimatter interaction; antiproton-impact
ionization
ID HYDROGEN; HELIUM
AB We present our progress in the investigations of atomic and molecular ionization due to antiproton-impact using the time-dependent close-coupling (TDCC) methods. We show some examples of our energy-dependent ionization cross sections for H, He, Li, H-2(+) and H-2 and compare them with the available theoretical and experimental data.
C1 [Lee, Teck-Ghee; Pindzola, M. S.] Auburn Univ, Dept Phys, Auburn, AL 36849 USA.
[Colgan, J.] Los Alamos Natl Lab, Theoret Div, Los Alamos, NM 87545 USA.
RP Lee, TG (reprint author), Auburn Univ, Dept Phys, Auburn, AL 36849 USA.
OI Colgan, James/0000-0003-1045-3858
FU US Department of Energy and US National Science Foundation; National
Energy Research Scientific Computing Center (NESRC) in Oakland,
California; National Institute for Computational Science (NICS) in
Knoxville
FX This work is supported by the US Department of Energy and US National
Science Foundation. The computational work was carried out at the
National Energy Research Scientific Computing Center (NESRC) in Oakland,
California, USA, and at the National Institute for Computational Science
(NICS) in Knoxville, Tennessee, USA.
NR 21
TC 0
Z9 0
U1 0
U2 4
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 32
EP 35
DI 10.1063/1.4802284
PG 4
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900005
ER
PT S
AU Morgan, K
Andrianarijaona, V
Draganic, IN
Defay, X
Fogle, M
Galindo-Uribarri, A
Guillen, CI
Havener, CC
Hokin, M
McCammon, D
Nader, DJ
Romano, SL
Carcoba, FS
Sauter, P
Seely, D
Stancil, PC
Vane, CR
Vassantachart, AK
Wulf, D
AF Morgan, K.
Andrianarijaona, V.
Draganic, I. N.
Defay, X.
Fogle, M.
Galindo-Uribarri, A.
Guillen, C. I.
Havener, C. C.
Hokin, M.
McCammon, D.
Nader, D. J.
Romano, S. L.
Salces Carcoba, F.
Sauter, P.
Seely, D.
Stancil, P. C.
Vane, C. R.
Vassantachart, A. K.
Wulf, D.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Charge Exchange X-Ray Emission: Astrophysical Observations And Potential
Diagnostics
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE charge transfer; state-selective; laboratory astrophysics; X-ray
spectra; interstellar medium
ID SOLAR-WIND; INTERSTELLAR NEUTRALS; ROCKET; COMETS; LIMITS; GAS
AB Interest in astrophysical sources of charge exchange X-rays has been growing steadily since the discovery of X-ray emission from the comet Hyakutake with ROSAT in 1996. Since then, charge exchange has been observed between solar wind ions and neutrals in the geocorona and in the atmospheres of Mars and Jupiter. Charge exchange with interstellar neutrals within the heliosphere between solar wind ions and neutral hydrogen and helium from the interstellar medium is now acknowledged as contributing a considerable (although currently unknown) fraction of the soft X-ray background. We make a brief survey of the heliospheric, Galactic, and extragalactic systems in which charge exchange has been observed or is predicted to take place. Experiments measuring velocity dependent cross-section and line ratios for Lyman-series lines and He-like triplets are needed to check current theoretical models of charge exchange emission and aid interpretation of observations. We point out a number of systems that are of astrophysical interest that could be the subject of future laboratory investigations, particularly velocity dependent line ratios of the X-ray emission produced by charge exchange between highly ionized common elements (such as O, C, Ne, and Fe) and atomic hydrogen and helium. To begin to address the need for laboratory data we have measured velocity dependent Ly-series line ratios for C6+ ions interacting with H-2, He, and Kr gas targets at Oak Ridge National Laboratory's Ion-Atom Merged-Beams Apparatus
C1 [Morgan, K.; Defay, X.; Hokin, M.; McCammon, D.; Sauter, P.; Wulf, D.] Univ Wisconsin, Dept Phys, 1150 Univ Ave, Madison, WI 53706 USA.
[Draganic, I. N.; Galindo-Uribarri, A.; Havener, C. C.; Vane, C. R.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.
[Andrianarijaona, V.; Guillen, C. I.; Romano, S. L.; Vassantachart, A. K.] Pacific Union Coll, Dept Phys, Angwin, CA 94508 USA.
[Salces Carcoba, F.] Univ Autonoma San Luis Potosi, Fac Ciencias, San Luis Potosi 78290, Mexico.
[Nader, D. J.] Univ Veracruzana, Fac Fis, Skopje 91000, Macedonia.
[Fogle, M.] Auburn Univ, Dept Phys, Auburn, AL 36849 USA.
[Seely, D.] Albion Coll, Dept Phys, Albion, MI 49224 USA.
[Stancil, P. C.] Univ Georgia, Dept Phys, Athens, GA 30602 USA.
RP Morgan, K (reprint author), Univ Wisconsin, Dept Phys, 1150 Univ Ave, Madison, WI 53706 USA.
RI Morgan, Kelsey/J-5053-2016
OI Morgan, Kelsey/0000-0002-6597-1030
NR 37
TC 1
Z9 1
U1 0
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 49
EP 54
DI 10.1063/1.4802288
PG 6
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900009
ER
PT S
AU Beiersdorfer, P
Brown, GV
Clementson, J
Kilbourne, CA
Kelley, RL
Leutenegger, MA
Porter, FS
Schweikhard, L
AF Beiersdorfer, P.
Brown, G. V.
Clementson, J.
Kilbourne, C. A.
Kelley, R. L.
Leutenegger, M. A.
Porter, F. S.
Schweikhard, L.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Unresolved Puzzles In The X-Ray Emission Produced By Charge Exchange
Measured On Electron Beam Ion Traps
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp (NEC)
DE Charge exchange; x-ray spectra
ID MAGNETIC TRAPPING MODE; SOLAR-WIND; NEUTRAL HYDROGEN; EXCITED-STATES;
SPECTROMETER; COMETS; POPULATION; ENERGY
AB Charge exchange recombination, the transfer of one or more electrons from an atomic or molecular system to a positive ion, is a common phenomenon affecting laboratory and astrophysical plasmas. Controlled studies of this process in electron beam ion traps during the past one and a half decades have produced multiple observations that are difficult to explain with available spectral models. Some of the most recent observations are so puzzling that they bring in doubt the existence of a coherent predictive capability for line formation by charge exchange, making investigations of charge exchange a fertile ground for continued measurements and theoretical development.
C1 [Beiersdorfer, P.; Brown, G. V.; Clementson, J.] Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94550 USA.
[Schweikhard, L.] Ernst Moritz Arndt Univ Greifswald, Inst Phys, D-17487 Greifswald, Germany.
RP Beiersdorfer, P (reprint author), Lawrence Livermore Natl Lab, Div Phys, 7000 East Ave, Livermore, CA 94550 USA.
RI Porter, Frederick/D-3501-2012
OI Porter, Frederick/0000-0002-6374-1119
NR 27
TC 0
Z9 0
U1 0
U2 2
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 60
EP 63
DI 10.1063/1.4802290
PG 4
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900011
ER
PT S
AU Clementson, J
Beiersdorfer, P
Lennartsson, T
AF Clementson, J.
Beiersdorfer, P.
Lennartsson, T.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Atomic Data Of Tungsten For Current And Future Uses In Fusion And Plasma
Science
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE spectroscopic plasma diagnostics; atomic data; tungsten; tokamak; ITER;
EBIT
ID BEAM ION-TRAP; X-RAY SPECTROSCOPY; SPECTRA; SPECTROMETER; RADIATION;
ENERGIES; KRYPTON; LINES; CODE
AB Atomic physics has played an important role throughout the history of experimental plasma physics. For example, accurate knowledge of atomic properties has been crucial for understanding the plasma energy balance and for diagnostic development. With the shift in magnetic fusion research toward high-temperature burning plasmas like those expected to be produced in the ITER tokamak, the atomic physics of tungsten has become important. Tungsten will be a constituent of ITER plasmas because of its use as a plasma-facing material able to withstand high heat loads with lower tritium retention than other possible materials. Already, ITER diagnostics are being developed based on using tungsten radiation. In particular, the ITER Core Imaging X-ray Spectrometer (CIXS), which is designed to measure the core ion temperature and bulk plasma motion, is being based on the x-ray emission of neonlike tungsten ions (W64+). In addition, tungsten emission will at ITER be measured by extreme ultraviolet (EUV) and optical spectrometers to determine its concentration in the plasma and to assess power loss and tungsten sputtering rates. On present-day tokamaks tungsten measurements are therefore being performed in preparation of ITER. Tungsten has very complex spectra and most are still unknown. The WOLFRAM project at Livermore aims to produce data for tungsten in various spectral bands: L-shell x-ray emission for CIXS development, soft x-ray and EUV M-and N-shell tungsten emission for understanding the edge radiation from ITER plasmas as well as from contemporary tokamaks, and O-shell emission for developing spectral diagnostics of the ITER divertor.
C1 [Clementson, J.; Beiersdorfer, P.] Lawrence Livermore Natl Lab, Div Phys, POB 808, Livermore, CA 94551 USA.
RP Clementson, J (reprint author), Lawrence Livermore Natl Lab, Div Phys, POB 808, Livermore, CA 94551 USA.
NR 51
TC 8
Z9 9
U1 1
U2 17
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 78
EP 83
DI 10.1063/1.4802294
PG 6
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900015
ER
PT S
AU Vainionpaa, JH
Harris, JL
Piestrup, MA
Gary, CK
Williams, DL
Apodaca, MD
Cremer, JT
Ji, Q
Ludewigt, BA
Jones, G
AF Vainionpaa, J. H.
Harris, J. L.
Piestrup, M. A.
Gary, C. K.
Williams, D. L.
Apodaca, M. D.
Cremer, J. T.
Ji, Qing
Ludewigt, B. A.
Jones, G.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI High Yield Neutron Generators Using The DD Reaction
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE Neutron generators; ion sources; neutron tubes; electron cyclotron
resonance
AB A product line of high yield neutron generators has been developed at Adelphi technology inc. The generators use the D-D fusion reaction and are driven by an ion beam supplied by a microwave ion source. Yields of up to 5 x 10(9) n/s have been achieved, which are comparable to those obtained using the more efficient D-T reaction. The microwave-driven plasma uses the electron cyclotron resonance (ECR) to produce a high plasma density for high current and high atomic ion species. These generators have an actively pumped vacuum system that allows operation at reduced pressure in the target chamber, increasing the overall system reliability. Since no radioactive tritium is used, the generators can be easily serviced, and components can be easily replaced, providing essentially an unlimited lifetime. Fast neutron source size can be adjusted by selecting the aperture and target geometries according to customer specifications. Pulsed and continuous operation has been demonstrated. Minimum pulse lengths of 50 mu s have been achieved. Since the generators are easily serviceable, they offer a long lifetime neutron generator for laboratories and commercial systems requiring continuous operation. Several of the generators have been enclosed in radiation shielding/moderator structures designed for customer specifications. These generators have been proven to be useful for prompt gamma neutron activation analysis (PGNAA), neutron activation analysis (NAA) and fast neutron radiography. Thus these generators make excellent fast, epithermal and thermal neutron sources for laboratories and industrial applications that require neutrons with safe operation, small footprint, low cost and small regulatory burden.
C1 [Vainionpaa, J. H.; Harris, J. L.; Piestrup, M. A.; Gary, C. K.; Williams, D. L.; Apodaca, M. D.; Cremer, J. T.] Adelphi Technol, 2003 E Bayshore Rd 94061, Redwood City, CA 94063 USA.
[Ji, Qing; Ludewigt, B. A.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Jones, G.] G&J Enterprise, Pleasanton, CA 94566 USA.
RP Vainionpaa, JH (reprint author), Adelphi Technol, 2003 E Bayshore Rd 94061, Redwood City, CA 94063 USA.
FU DOE [DE-FG02-04ER86177, DE-FG02-04ER86294]; DHS [HSHQDC-10-C-00196,
HSHQDC-09-C-0008]
FX Much of the technology used in these generators was developed under DOE
grants DE-FG02-04ER86177 and DE-FG02-04ER86294, and DHS grants
HSHQDC-10-C-00196 and HSHQDC-09-C-0008.
NR 9
TC 2
Z9 2
U1 2
U2 12
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 118
EP 122
DI 10.1063/1.4802303
PG 5
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900024
ER
PT S
AU Sy, A
Ji, Q
Persaud, A
Ludewigt, BA
Schenkel, T
AF Sy, A.
Ji, Q.
Persaud, A.
Ludewigt, B. A.
Schenkel, T.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Ion Source And Beam Guiding Studies For An API Neutron Generator
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp (NEC)
DE Penning ion source; Associated particle imaging; Neutron generator
ID TAPERED GLASS-CAPILLARY; SYSTEM; RADIOGRAPHY
AB Recently developed neutron imaging methods require high neutron yields for fast imaging times and small beam widths for good imaging resolution. For ion sources with low current density to be viable for these types of imaging methods, large extraction apertures and beam focusing must be used. We present recent work on the optimization of a Penning-type ion source for neutron generator applications. Two multi-cusp magnet configurations have been tested and are shown to increase the extracted ion current density over operation without multi-cusp magnetic fields. The use of multi-cusp magnetic confinement and gold electrode surfaces have resulted in increased ion current density, up to 2.2 mA/cm(2). Passive beam focusing using tapered dielectric capillaries has been explored due to its potential for beam compression without the cost and complexity issues associated with active focusing elements. Initial results from first experiments indicate the possibility of beam compression. Further work is required to evaluate the viability of such focusing methods for associated particle imaging (API) systems.
C1 [Sy, A.; Ji, Q.; Persaud, A.; Ludewigt, B. A.; Schenkel, T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Sy, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
NR 12
TC 0
Z9 0
U1 3
U2 8
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 123
EP 127
DI 10.1063/1.4802304
PG 5
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900025
ER
PT S
AU Ellsworth, JL
Tang, V
Falabella, S
Naranjo, B
Putterman, S
AF Ellsworth, J. L.
Tang, V.
Falabella, S.
Naranjo, B.
Putterman, S.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Neutron Production Using A Pyroelectric Driven Target Coupled With A
Gated Field Ionization Source
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE Neutron source; pyroelectric crystal; field ionization
ID CRYSTAL
AB A palm sized, portable neutron source would be useful for widespread implementation of detection systems for shielded, special nuclear material. We present progress towards the development of the components for an ultra-compact neutron generator using a pulsed, meso-scale field ionization source, a deuterated (or tritiated) titanium target driven by a negative high voltage lithium tantalate crystal. Neutron production from integrated tests using an ion source with a single, biased tungsten tip and a 3x1 cm, vacuum insulated crystal with a plastic deuterated target are presented. Component testing of the ion source with a single tip produces up to 3 nA of current. Dielectric insulation of the lithium tantalate crystals appears to reduce flashover, which should improve the robustness. The field emission losses from a 3 cm diameter crystal with a plastic target and 6 cm diameter crystal with a metal target are compared.
C1 [Ellsworth, J. L.; Tang, V.; Falabella, S.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
[Naranjo, B.; Putterman, S.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA.
RP Ellsworth, JL (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; U.S. Department of Energy NA-22 Office of
Nonproliferation Research and Development under the Special Nuclear
Materials Movement Detection portfolio
FX The authors would like to thank Phil Kerr for assistance with the
calibration of the neutron backpack diagnostic. This work was performed
under the auspices of the U.S. Department of Energy by Lawrence
Livermore National Laboratory under Contract DE-AC52-07NA27344 and
supported by the U.S. Department of Energy NA-22 Office of
Nonproliferation Research and Development under the Special Nuclear
Materials Movement Detection portfolio.
NR 12
TC 4
Z9 4
U1 0
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 128
EP 132
DI 10.1063/1.4802305
PG 5
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900026
ER
PT S
AU Field, KG
Wetteland, CJ
Cao, G
Maier, BR
Dickerson, C
Gerczak, TJ
Field, CR
Kriewaldt, K
Sridharan, K
Allen, TR
AF Field, K. G.
Wetteland, C. J.
Cao, G.
Maier, B. R.
Dickerson, C.
Gerczak, T. J.
Field, C. R.
Kriewaldt, K.
Sridharan, K.
Allen, T. R.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI University of Wisconsin Ion Beam Laboratory: A Facility for Irradiated
Materials and Ion Beam Analysis
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE Ion Beam; TORVIS; Nuclear Materials; Radiation Damage
ID MECHANICAL-PROPERTIES; CARBIDE; MICROSTRUCTURE; COATINGS
AB The University of Wisconsin Ion Beam Laboratory (UW-IBL) has recently undergone significant infrastructure upgrades to facilitate graduate level research in irradiated materials phenomena and ion beam analysis. A National Electrostatics Corp. (NEC) Torodial Volume Ion Source (TORVIS), the keystone upgrade for the facility, can produce currents of hydrogen ions and helium ions up to similar to 200 mu A and similar to 5 mu A, respectively. Recent upgrades also include RBS analysis packages, end station developments for irradiation of relevant material systems, and the development of an in-house touch screen based graphical user interface for ion beam monitoring. Key research facilitated by these upgrades includes irradiation of nuclear fuels, studies of interfacial phenomena under irradiation, and clustering dynamics of irradiated oxide dispersion strengthened steels. The UW-IBL has also partnered with the Advanced Test Reactor National Scientific User Facility (ATR-NSUF) to provide access to the irradiation facilities housed at the UW-IBL as well as access to post irradiation facilities housed at the UW Characterization Laboratory for Irradiated Materials (CLIM) and other ATR-NSUF partner facilities. Partnering allows for rapid turnaround from proposed research to finalized results through the ATR-NSUF rapid turnaround proposal system. An overview of the UW-IBL including CLIM and relevant research is summarized.
C1 [Field, K. G.; Wetteland, C. J.; Cao, G.; Maier, B. R.; Gerczak, T. J.; Kriewaldt, K.; Sridharan, K.; Allen, T. R.] Univ Wisconsin, Madison, WI 53706 USA.
[Dickerson, C.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Field, C. R.] Naval Res Lab, Washington, DC 20375 USA.
RP Field, KG (reprint author), Univ Wisconsin, Madison, WI 53706 USA.
RI Field, Kevin/K-1942-2013;
OI Field, Kevin/0000-0002-3105-076X; Allen, Todd/0000-0002-2372-7259;
Gerczak, Tyler/0000-0001-9967-3579
NR 20
TC 2
Z9 3
U1 0
U2 11
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 159
EP 164
DI 10.1063/1.4802311
PG 6
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900032
ER
PT S
AU Potter, JM
Krawczyk, FL
AF Potter, James M.
Krawczyk, Frank L.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Resonant Coupling Applied To Superconducting Accelerator Structures
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE linear accelerator; superconducting accelerator; resonant coupling
AB The concept of resonant coupling and the benefits that accrue from its application is well known in the world of room temperature coupled cavity linacs. Design studies show that it can be applied successfully between sections of conventional elliptical superconducting coupled cavity accelerator structures and internally to structures with spoked cavity resonators. The coupling mechanisms can be designed without creating problems with high field regions or multipactoring. The application of resonant coupling to superconducting accelerators eliminates the need for complex cryogenic mechanical tuners and reduces the time needed to bring a superconducting accelerator into operation.
C1 [Potter, James M.] JP Accelerator Works Inc, 2245 47th St, Los Alamos, NM 87544 USA.
[Krawczyk, Frank L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Potter, JM (reprint author), JP Accelerator Works Inc, 2245 47th St, Los Alamos, NM 87544 USA.
OI Krawczyk, Frank/0000-0001-8306-2562
FU Los Alamos National Laboratory with the Office of Naval Research
[N00014-10-M-0328]
FX This work was done by JP Accelerator Works, Inc. and Los Alamos National
Laboratory under contract N00014-10-M-0328 with the Office of Naval
Research.
NR 3
TC 0
Z9 0
U1 0
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 184
EP 189
DI 10.1063/1.4802316
PG 6
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900037
ER
PT S
AU Sooby, E
Adams, M
Baty, A
Gerity, J
McIntyre, P
Melconian, K
Phongikaroon, S
Pogue, N
Sattarov, A
Simpson, M
Tripathy, P
Tsevkov, P
AF Sooby, Elizabeth
Adams, Marvin
Baty, Austin
Gerity, James
McIntyre, Peter
Melconian, Karie
Phongikaroon, Supathorn
Pogue, Nathaniel
Sattarov, Akhdiyor
Simpson, Michael
Tripathy, Prabhat
Tsevkov, Pavel
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Molten Salt Considerations For Accelerator-Driven Subcritical Fission To
Close The Nuclear Fuel Cycle
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE Accelerator Driven System (ADS); Molten Salt Reactor (MSR); Used Nuclear
Fuel (UNF); Transuranic (TRU) Waste; Long-Lived Fission Products;
Neutronics
ID IONS
AB The host salt selection, molecular modeling, physical chemistry, and processing chemistry are presented here for an accelerator-driven subcritical fission in a molten salt core (ADSMS). The core is fueled solely with the transuranics (TRU) and long-lived fission products (LFP) from used nuclear fuel. The neutronics and salt composition are optimized to destroy the transuranics by fission and the long-lived fission products by transmutation. The cores are driven by proton beams from a strong-focusing cyclotron stack. One such ADSMS system can destroy the transuranics in the used nuclear fuel produced by a 1GWe conventional reactor. It uniquely provides a method to close the nuclear fuel cycle for green nuclear energy.
C1 [Sooby, Elizabeth; Baty, Austin; Gerity, James; McIntyre, Peter; Melconian, Karie; Pogue, Nathaniel; Sattarov, Akhdiyor] Texas A&M Univ, Dept Phys & Astron, 4242 TAMU, College Stn, TX 77843 USA.
[Adams, Marvin; Tsevkov, Pavel] Texas A&M Univ, Nucl Engn, College Stn, TX 77843 USA.
[Phongikaroon, Supathorn] Univ Idaho, Ctr Adv Energy Studies, Idaho Falls, ID 83401 USA.
[Simpson, Michael; Tripathy, Prabhat] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Sooby, E (reprint author), Texas A&M Univ, Dept Phys & Astron, 4242 TAMU, College Stn, TX 77843 USA.
RI Melconian, Karie/H-9518-2013
OI Melconian, Karie/0000-0003-2006-0441
FU Mitchell Family Foundation; State of Texas ASE Fund
FX This work is supported by grants from the Mitchell Family Foundation and
the State of Texas ASE Fund. Special thanks to Dr. Mathieu Salanne of
the University of Pierre and Marie Currie, Paris, France, Prof. Paul
Madden, The University of Oxford at Queens College, and Ondrej Benes,
Institute of Transuranium elements, Karlsruhe, Germany for their help
with both the modeling work presented here as well as their conceptual
input in the development of these system-specific models.
NR 12
TC 0
Z9 0
U1 0
U2 12
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 230
EP 235
DI 10.1063/1.4802325
PG 6
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900046
ER
PT S
AU Takahashi, K
Okamura, M
Sekine, M
Cushing, E
Jandovitz, P
AF Takahashi, Kazumasa
Okamura, Masahiro
Sekine, Megumi
Cushing, Eric
Jandovitz, Peter
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Effect Of Solenoidal Magnetic Field On Drifting Laser Plasma
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE laser ion source; solenoid; ablation plasma
AB An ion source for accelerators requires to provide a stable waveform with a certain pulse length appropriate to the application. The pulse length of laser ion source is easy to control because it is expected to be proportional to plasma drifting distance. However, current density decay is proportional to the cube of the drifting distance, so large current loss will occur under unconfined drift. We investigated the stability and current decay of a Nd:YAG laser generated copper plasma confined by a solenoidal field using a Faraday cup to measure the current waveform. It was found that the plasma was unstable at certain magnetic field strengths, so a baffle was introduced to limit the plasma diameter at injection and improve the stability. Magnetic field, solenoid length, and plasma diameter were varied in order to find the conditions that minimize current decay and maximize stability.
C1 [Takahashi, Kazumasa; Sekine, Megumi] Tokyo Inst Technol, Yokohama, Kanagawa 2268502, Japan.
[Okamura, Masahiro] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Okamura, Masahiro] RIKEN, Wako, Saitama 3510198, Japan.
[Cushing, Eric] Penn State Univ, University Pk, PA 16802 USA.
[Jandovitz, Peter] Cornell Univ, Ithaca, NY 14853 USA.
RP Takahashi, K (reprint author), Tokyo Inst Technol, Yokohama, Kanagawa 2268502, Japan.
NR 8
TC 9
Z9 9
U1 1
U2 3
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 241
EP 244
DI 10.1063/1.4802327
PG 4
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900048
ER
PT S
AU Sattarov
Assadi, S
Badgley, K
Baty, A
Comeaux, J
Gerity, J
Kellams, J
Mcintyre, P
Pogue, N
Sooby, E
Tsvetkov, P
Rosaire, G
Mann, T
AF Sattarov
Assadi, S.
Badgley, K.
Baty, A.
Comeaux, J.
Gerity, J.
Kellams, J.
Mcintyre, P.
Pogue, N.
Sooby, E.
Tsvetkov, P.
Rosaire, G.
Mann, T.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Neutronics Of Accelerator-Driven Subcritical Fission For Burning
Transuranics In Used Nuclear Fuel
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE fission; ADS; molten salt; subcritical
AB We report the development of a conceptual design for accelerator-driven subcritical fission in a molten salt core (ADSMS). ADSMS is capable of destroying all of the transuranics at the same rate and proportion as they are produced in a conventional nuclear power plant. The ADSMS core is fueled solely by transuranics extracted from used nuclear fuel and reduces its radiotoxicity by a factor 10,000. ADSMS offers a way to close the nuclear fuel cycle so that the full energy potential in the fertile fuels uranium and thorium can be recovered.
C1 [Sattarov; Assadi, S.; Badgley, K.; Comeaux, J.; Gerity, J.; Kellams, J.; Mcintyre, P.; Pogue, N.; Sooby, E.; Tsvetkov, P.; Rosaire, G.] Texas A&M Univ, College Stn, TX 77845 USA.
[Mann, T.] Argonne Natl Lab, Argone, IL USA.
RP Sattarov (reprint author), Texas A&M Univ, College Stn, TX 77845 USA.
RI Melconian, Karie/H-9518-2013
OI Melconian, Karie/0000-0003-2006-0441
NR 1
TC 0
Z9 0
U1 0
U2 2
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 245
EP 250
DI 10.1063/1.4802328
PG 6
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900049
ER
PT S
AU Rajasekhara, S
Doyle, BL
Enos, DG
Clark, BG
AF Rajasekhara, S.
Doyle, B. L.
Enos, D. G.
Clark, B. G.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Hydrogen Uptake In Zircaloy-2 Reactor Fuel Claddings Studied With
Elastic Recoil Detection
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp (NEC)
DE Elastic recoil detection; hydrogen uptake; nuclear cladding; spent
nuclear fuel; Zircaloy-2; transmission electron microscopy
ID ALPHA-ZIRCONIUM; ION-BEAM; DIFFUSION; KINETICS; ABSORPTION; SOLUBILITY;
CORROSION; MECHANISM; ALLOYS; TUBES
AB The recent trend towards a high burn-up discharge spent nuclear fuel necessitates a thorough understanding of hydrogen uptake in Zr-based cladding materials that encapsulate spent nuclear fuel. Although it is challenging to experimentally replicate exact conditions in a nuclear reactor that lead to hydrogen uptake in claddings, in this study we have attempted to understand the kinetics of hydrogen uptake by first electrolytically charging Zircaloy-2 (Zr-2) cladding material for various durations (100 to 2,600 s), and subsequently examining hydrogen ingress with elastic recoil detection (ERD) and transmission electron microscopy (TEM). To understand the influence of irradiation damage defects on hydrogen uptake, an analogous study was performed on ion - irradiated (0.1, 1 and 25 dpa) Zr-2. Analysis of ERD data from the un-irradiated Zr-2 suggests that the growth of the hydride layer is diffusion controlled, and preliminary TEM results support this assertion. In un-irradiated Zr-2, the diffusivity of hydrogen in the hydride phase was found to be approximately 1.1 x 10(-11) cm(2)/s, while the diffusivity in the hydride phase for lightly irradiated (0.1 and 1 dpa) Zr-2 is an order of magnitude lower. Irradiation to 25 dpa results in a hydrogen diffusivity that is comparable to the un-irradiated Zr-2. These results are compared with existing literature on hydrogen transport in Zr - based materials.
C1 [Rajasekhara, S.; Doyle, B. L.; Enos, D. G.; Clark, B. G.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Rajasekhara, S (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
NR 35
TC 0
Z9 0
U1 3
U2 18
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 270
EP 275
DI 10.1063/1.4802332
PG 6
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900053
ER
PT S
AU Gregory, E
Chemerisov, SD
Vandegrift, GF
Woloshun, KA
Kelsey, CT
Tkac, P
Makarashvili, V
Jonah, CD
Olivas, ER
Holloway, MA
Hurtle, KP
Romero, FP
Dalmas, DA
Harvey, JT
AF Dale, Gregory E.
Chemerisov, Sergey D.
Vandegrift, George F.
Woloshun, Keith A.
Kelsey, Charles T.
Tkac, Peter
Makarashvili, Vakho
Jonah, Charles D.
Olivas, Eric R.
Holloway, Michael A.
Hurtle, Ken P.
Romero, Frank P.
Dalmas, Dale A.
Harvey, James T.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Design and Experimental Activities Supporting Commercial US Electron
Accelerator Production of Mo-99
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE Accelerator Production of Medical Radioisotopes; Accelerator Target
Design; Accelerator Target Cooling
AB Tc-99m, the daughter isotope of Mo-99, is the most commonly used radioisotope for nuclear medicine in the United States. Under the direction of the National Nuclear Security Administration (NNSA), Los Alamos National Laboratory (LANL) and Argonne National Laboratory (ANL) are partnering with NorthStar Medical Technologies to demonstrate the viability of large-scale Mo-99 production using electron accelerators. In this process, Mo-99 is produced in an enriched Mo-100 target through the Mo-100(gamma,n)Mo-99 reaction. Five experiments have been performed to date at ANL to demonstrate this process. This paper reviews the current status of these activities, specifically the design and performance of the helium gas target cooling system.
C1 [Dale, Gregory E.; Woloshun, Keith A.; Kelsey, Charles T.; Olivas, Eric R.; Holloway, Michael A.; Hurtle, Ken P.; Romero, Frank P.; Dalmas, Dale A.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[Chemerisov, Sergey D.; Vandegrift, George F.; Tkac, Peter; Makarashvili, Vakho; Jonah, Charles D.] Argonne Natl Lab, LLC, Argonne, IL 60439 USA.
[Harvey, James T.] NorthStar Med Technol, LLC, Madison, WI 53718 USA.
RP Gregory, E (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM gedale@lanl.gov; chemerisov@anl.gov; jharvey@northstarnm.com
OI Olivas, Eric/0000-0002-7721-6622
FU National Nuclear Security Administration
FX This work was funded by the National Nuclear Security Administrations
Global Threat Reduction Initiative.
NR 3
TC 0
Z9 0
U1 2
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 355
EP 359
DI 10.1063/1.4802350
PG 5
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900071
ER
PT S
AU Sun, ZJ
Wells, D
Starovoitova, V
Segebade, C
AF Sun, Z. J.
Wells, D.
Starovoitova, V.
Segebade, C.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Testing The Quasi-Absolute Method In Photon Activation Analysis
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE Photon Activation Analysis (PAA); Nuclear Analysis; Simulation; LINAC
ID MONTE-CARLO-SIMULATION; THICK TARGETS; BREMSSTRAHLUNG
AB In photon activation analysis (PAA), relative methods are widely used because of their accuracy and precision. Absolute methods, which are conducted without any assistance from calibration materials, are seldom applied for the difficulty in obtaining photon flux in measurements. This research is an attempt to perform a new absolute approach in PAA - quasi-absolute method - by retrieving photon flux in the sample through Monte Carlo simulation. With simulated photon flux and database of experimental cross sections, it is possible to calculate the concentration of target elements in the sample directly. The QA/QC procedures to solidify the research are discussed in detail. Our results show that the accuracy of the method for certain elements is close to a useful level in practice. Furthermore, the future results from the quasi-absolute method can also serve as a validation technique for experimental data on cross sections. The quasi-absolute method looks promising.
C1 [Sun, Z. J.] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Wells, D.] South Dakota Sch Mines & Technol, Dept Phys, Rapid City, SD 57701 USA.
[Starovoitova, V.; Segebade, C.] Idaho State Univ, Idaho Accelerator Ctr, Pocatello, ID 83209 USA.
RP Sun, ZJ (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
FU U.S. Department of Energy, Basic Energy Sciences, Office of Science
[DE-AC02-06CH11357]
FX This work is supported by the U.S. Department of Energy, Basic Energy
Sciences, Office of Science, under contract # DE-AC02-06CH11357.
NR 9
TC 2
Z9 2
U1 0
U2 3
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 412
EP 416
DI 10.1063/1.4802360
PG 5
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900081
ER
PT S
AU Shavorskiy, A
Cordones, A
Vura-Weis, J
Siefermann, K
Slaughter, D
Sturm, F
Weise, F
Bluhm, H
Strader, M
Cho, HN
Lin, MF
Bacellar, C
Khurmi, C
Hertlein, M
Guo, JH
Tyliszczak, T
Prendergast, D
Coslovich, G
Robinson, J
Kaindl, RA
Schoenlein, RW
Belkacem, A
Weber, T
Neumark, DM
Leone, SR
Nordlund, D
Ogasawara, H
Nilsson, AR
Krupin, O
Turner, JJ
Schlotter, WF
Holmes, MR
Heimann, PA
Messerschmidt, M
Minitti, MP
Beye, M
Gul, S
Zhang, JZ
Huse, N
Gessner, O
AF Shavorskiy, Andrey
Cordones, Amy
Vura-Weis, Josh
Siefermann, Katrin
Slaughter, Daniel
Sturm, Felix
Weise, Fabian
Bluhm, Hendrik
Strader, Matthew
Cho, Hana
Lin, Ming-Fu
Bacellar, Camila
Khurmi, Champak
Hertlein, Marcus
Guo, Jinghua
Tyliszczak, Tolek
Prendergast, David
Coslovich, Giacomo
Robinson, Joseph
Kaindl, Robert A.
Schoenlein, Robert W.
Belkacem, Ali
Weber, Thorsten
Neumark, Daniel M.
Leone, Stephen R.
Nordlund, Dennis
Ogasawara, Hirohito
Nilsson, Anders R.
Krupin, Oleg
Turner, Joshua J.
Schlotter, William F.
Holmes, Michael R.
Heimann, Philip A.
Messerschmidt, Marc
Minitti, Michael P.
Beye, Martin
Gul, Sheraz
Zhang, Jin Z.
Huse, Nils
Gessner, Oliver
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Time-Resolved X-Ray Photoelectron Spectroscopy Techniques For Real-Time
Studies Of Interfacial Charge Transfer Dynamics
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE Ultrafast Spectroscopy; X-ray Photoelectron Spectroscopy; Dye-Sensitized
Nanostructures; Free Electron Lasers
ID ELECTRON INJECTION; RECOMBINATION; LASER
AB X-ray based spectroscopy techniques are particularly well suited to gain access to local oxidation states and electronic dynamics in complex systems with atomic pinpoint accuracy. Traditionally, these techniques are applied in a quasi-static fashion that usually highlights the steady-state properties of a system rather than the fast dynamics that often define the system function on a molecular level. Novel x-ray spectroscopy techniques enabled by free electron lasers (FELs) and synchrotron based pump-probe schemes provide the opportunity to monitor intramolecular and interfacial charge transfer processes in real-time and with element and chemical specificity. Two complementary time-domain x-ray photoelectron spectroscopy techniques are presented that are applied at the Linac Coherent Light Source (LCLS) and the Advanced Light Source (ALS) to study charge transfer processes in N3 dye-sensitized ZnO semiconductor nanocrystals, which are at the heart of emerging light-harvesting technologies.
C1 [Shavorskiy, Andrey; Hertlein, Marcus; Guo, Jinghua; Tyliszczak, Tolek] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Cordones, Amy; Vura-Weis, Josh; Lin, Ming-Fu; Bacellar, Camila; Neumark, Daniel M.; Leone, Stephen R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Siefermann, Katrin; Slaughter, Daniel; Sturm, Felix; Weise, Fabian; Lin, Ming-Fu; Bacellar, Camila; Khurmi, Champak; Schoenlein, Robert W.; Belkacem, Ali; Weber, Thorsten; Neumark, Daniel M.; Leone, Stephen R.; Gessner, Oliver] Lawrence Berkeley Natl Lab, Ultrafast Xray Sci Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Bluhm, Hendrik] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Strader, Matthew; Cho, Hana; Coslovich, Giacomo; Robinson, Joseph; Kaindl, Robert A.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Prendergast, David] Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Robinson, Joseph; Krupin, Oleg; Turner, Joshua J.; Schlotter, William F.; Holmes, Michael R.; Heimann, Philip A.; Messerschmidt, Marc; Minitti, Michael P.] SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA.
[Leone, Stephen R.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Nordlund, Dennis; Ogasawara, Hirohito; Nilsson, Anders R.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
[Krupin, Oleg] European XFEL GmbH, Schenefeld, Germany.
[Beye, Martin] Helmholtz Zentrum Berlin, Mat & Energie GmbH, Berlin, Germany.
[Gul, Sheraz; Zhang, Jin Z.] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA.
[Huse, Nils] Univ Hamburg, CFEL, Max Planck Res Dept Struct Dynam, Hamburg, Germany.
RP Shavorskiy, A (reprint author), Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RI Messerschmidt, Marc/F-3796-2010; Schoenlein, Robert/D-1301-2014;
Nordlund, Dennis/A-8902-2008; Beye, Martin/F-1165-2011; Foundry,
Molecular/G-9968-2014; Ogasawara, Hirohito/D-2105-2009; Neumark,
Daniel/B-9551-2009
OI Messerschmidt, Marc/0000-0002-8641-3302; Schoenlein,
Robert/0000-0002-6066-7566; Nordlund, Dennis/0000-0001-9524-6908; Beye,
Martin/0000-0002-3924-2993; Ogasawara, Hirohito/0000-0001-5338-1079;
Neumark, Daniel/0000-0002-3762-9473
FU U.S. Department of Energy [DEAC02-05CH11231]; Department of Energy
Office of Science Early Career Research Program; Basic Energy Sciences
Division of the US DOE [DE-FG02-ER46232]; consortium whose membership
includes the LCLS; Stanford University through the Stanford Institute
for Materials Energy Sciences (SIMES); Lawrence Berkeley National
Laboratory (LBNL); University of Hamburg through the BMBF [FSP 301];
Center for Free Electron Laser Science (CFEL)
FX The authors would like to acknowledge the outstanding support from the
staff at the Advanced Light Source, Lawrence Berkeley National
Laboratory, and the Linac Coherent Light Source, SLAC National
Accelerator Laboratory. This work was supported by the Director, Office
of Science, Office of Basic Energy Sciences, of the U.S. Department of
Energy under Contract no. DEAC02-05CH11231. O.G. was supported by the
Department of Energy Office of Science Early Career Research Program.
J.Z.Z. is grateful for support by the Basic Energy Sciences Division of
the US DOE (DE-FG02-ER46232). Portions of this research were carried out
on the SXR Instrument at the Linac Coherent Light Source (LCLS), a
division of SLAC National Accelerator Laboratory and an Office of
Science user facility operated by Stanford University for the U.S.
Department of Energy. The SXR Instrument is funded by a consortium whose
membership includes the LCLS, Stanford University through the Stanford
Institute for Materials Energy Sciences (SIMES), Lawrence Berkeley
National Laboratory (LBNL), University of Hamburg through the BMBF
priority program FSP 301, and the Center for Free Electron Laser Science
(CFEL)
NR 12
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PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 475
EP 479
DI 10.1063/1.4802374
PG 5
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900095
ER
PT S
AU Ratkiewicz, A
Pain, SD
Cizewski, JA
Bardayan, DW
Blackmon, JC
Chipps, KA
Hardy, S
Jones, KL
Kozub, RL
Lister, CJ
Manning, B
Matos, M
Peters, WA
Seweryniak, D
Shand, C
AF Ratkiewicz, A.
Pain, S. D.
Cizewski, J. A.
Bardayan, D. W.
Blackmon, J. C.
Chipps, K. A.
Hardy, S.
Jones, K. L.
Kozub, R. L.
Lister, C. J.
Manning, B.
Matos, M.
Peters, W. A.
Seweryniak, D.
Shand, C.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Coupling Gammasphere and ORRUBA
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE Radioactive ion beams; Neutron transfer reactions; Silicon detectors;
HPGe gamma-ray detectors
AB The coincident detection of particles and gamma rays allows the study of the structure of exotic nuclei via inverse kinematics reactions using radioactive ion beams and thick targets. We report on the status of the project to couple the high-resolution charged-particle detector ORRUBA to Gammasphere, a high-efficiency, high-resolution gamma ray detector.
C1 [Ratkiewicz, A.; Cizewski, J. A.; Hardy, S.; Manning, B.; Shand, C.] Rutgers State Univ, Dept Phys & Astron, New Brunswick, NJ 08903 USA.
[Pain, S. D.; Bardayan, D. W.] Div Phys, Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Blackmon, J. C.; Matos, M.] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA.
[Chipps, K. A.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA.
[Hardy, S.; Shand, C.] Univ Surrey, Dept Phys, Surrey, England.
[Jones, K. L.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA.
[Kozub, R. L.] Tennessee Technol Univ, Dept Phys, Cookeville, TN 38505 USA.
[Lister, C. J.; Seweryniak, D.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA.
[Lister, C. J.] Univ Massachusetts Lowell, Dept Phys & Appl Phys, Lowell, MA 01854 USA.
[Peters, W. A.] Oak Ridge Associated Univ, Oak Ridge, TN 37830 USA.
RP Ratkiewicz, A (reprint author), Rutgers State Univ, Dept Phys & Astron, New Brunswick, NJ 08903 USA.
RI Jones, Katherine/B-8487-2011; Pain, Steven/E-1188-2011; Peters,
William/B-3214-2012;
OI Jones, Katherine/0000-0001-7335-1379; Pain, Steven/0000-0003-3081-688X;
Peters, William/0000-0002-3022-4924; Chipps, Kelly/0000-0003-3050-1298
FU U.S. Department of Energy National Nuclear Security Administration under
the Stewardship Science Academic Alliances program through DOE
[DE-FG52-08NA28552]; Rutgers, ORAU; DOE Office of Nuclear Physics; ORNL
[DE-AC05-00OR22725]; UT [DE-FG02-96ER40983]; CSM [DEFG03-93ER40789]; ANL
[DE-AC02-06CH11357]; TTU [DE-FG02-96ER40955]; National Science
Foundation
FX This research was supported in part by the U.S. Department of Energy
National Nuclear Security Administration under the Stewardship Science
Academic Alliances program through DOE Cooperative Agreement No.
DE-FG52-08NA28552 (Rutgers, ORAU); the DOE Office of Nuclear Physics
under Contract Nos. DE-AC05- 00OR22725 (ORNL), DE-FG02-96ER40983 (UT),
DEFG03-93ER40789 (CSM), DE-AC02-06CH11357 (ANL), DE-FG02-96ER40955
(TTU); and the National Science Foundation. The authors gratefully
acknowledge the contributions of M. Carpenter and S. Zhu towards the
design and testing of this project.
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PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 487
EP 491
DI 10.1063/1.4802376
PG 5
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900097
ER
PT S
AU Benitez, J
Hodgkinson, A
Johnson, M
Loew, T
Lyneis, C
Phair, L
AF Benitez, Janilee
Hodgkinson, Adrian
Johnson, Mike
Loew, Tim
Lyneis, Claude
Phair, Larry
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Development Of Ion Beams For Space Effects Testing Using An ECR Ion
Source
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp (NEC)
DE ion sources; radiation effects facility; VENUS; AECR-U; Cocktail beams
AB At LBNL's 88-Inch Cyclotron and Berkeley Accelerator Space Effects (BASE) Facility, a range of ion beams at energies from 1 to 55 MeV/nucleon are used for radiation space effects testing. By bombarding a component with ion beams the radiation component of the space environment can be simulated and single event effects (SEEs) determined. The performance of electronic components used in space flight and high altitude aircraft can then be evaluated. The 88-Inch Cyclotron is coupled to the three electron cyclotron resonance ion sources (ECR, AECR-U, VENUS). These ion sources provide a variety of ion species, ranging from protons to heavy ions such as bismuth, for these tests. In particular the ion sources have been developed to provide "cocktails", a mixture of ions of similar mass-to-charge ratio, which can be simultaneously injected into the cyclotron, but selectively extracted from it. The ions differ in both their linear energy transfer (LET) deposited to the part and in their penetration depth into the tested part. The current heavy ion cocktails available are the 4.5, 10, 16, and 30 MeV per nucleon.
To provide the optimum range of LET a variety of ion beams and charge states is required. In order to produce a broad range of heavy ion cocktails, several methods to inject various metals and gases simultaneously have been developed, including sputter probes and ovens. Cocktail beams, first developed in 1985 in Berkeley, continue to evolve along with the capabilities of the accelerator system. The newest ECR source at Berkeley, VENUS, is capable of producing very high charge state heavy ions, delivering heavier ions with increased range and LET. The most recent example is the acceleration of Bi56+ to 9.5 MeV per nucleon. This paper will discuss the progress and gains still underway with the ECR ion sources and how they support radiation space effects testing.
C1 [Benitez, Janilee; Hodgkinson, Adrian; Johnson, Mike; Loew, Tim; Lyneis, Claude; Phair, Larry] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA.
RP Benitez, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
NR 7
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PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 503
EP 506
DI 10.1063/1.4802379
PG 4
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900100
ER
PT S
AU Winklehner, D
Lemut, A
Leitner, D
Couder, M
Hodgkinson, A
Wiescher, M
AF Winklehner, Daniel
Lemut, Alberto
Leitner, Daniela
Couder, Manoel
Hodgkinson, Adrian
Wiescher, Michael
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI DIANA - A Deep Underground Accelerator For Nuclear Astrophysics
Experiments
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE Ion Sources; Electrostatic Accelerators; Simulations
ID CROSS-SECTION
AB DIANA (Dakota Ion Accelerator for Nuclear Astrophysics) is a proposed facility designed to be operated deep underground. The DIANA collaboration includes nuclear astrophysics groups from Lawrence Berkeley National Laboratory, Michigan State University, Western Michigan University, Colorado School of Mines, and the University of North Carolina, and is led by the University of Notre Dame. The scientific goals of the facility are measurements of low energy nuclear cross-sections associated with sun and pre-supernova stars in a laboratory setup at energies that are close to those in stars. Because of the low stellar temperatures associated with these environments, and the high Coulomb barrier, the reaction cross-sections are extremely low. Therefore these measurements are hampered by small signal to background ratios. By going underground the background due to cosmic rays can be reduced by several orders of magnitude. We report on the design status of the DIANA facility with focus on the 3 MV electrostatic accelerator.
C1 [Winklehner, Daniel; Leitner, Daniela] Michigan State Univ, 640 S Shaw Lane, E Lansing, MI 48824 USA.
[Lemut, Alberto; Hodgkinson, Adrian] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Couder, Manoel; Wiescher, Michael] Univ Notre Dame, Notre Dame, IN 46556 USA.
RP Winklehner, D (reprint author), Michigan State Univ, 640 S Shaw Lane, E Lansing, MI 48824 USA.
RI Couder, Manoel/B-1439-2009
OI Couder, Manoel/0000-0002-0636-744X
FU National Science Foundation [NSF-09-500, 091728]; Office of Science;
Office of Basic Energy Sciences, of U.S. Department of Energy
[DE-AC02-05CH11231]; Assistant Secretary for Energy Efficiency and
Renewable Energy; U.S. Department of Energy [DE-AC02-05CH11231]
FX This work is supported by the National Science Foundation NSF-09-500
grant, proposal ID 091728. This work was supported by the Director,
Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231. This work was
supported by the Assistant Secretary for Energy Efficiency and Renewable
Energy, Office of Building Technology, State, and Community Programs, of
the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.
NR 10
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PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 516
EP 519
DI 10.1063/1.4802382
PG 4
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900103
ER
PT S
AU Jost, CU
Griswold, JR
Bruffey, SH
Mirzadeh, S
Stracener, DW
Williams, CL
AF Jost, C. U.
Griswold, J. R.
Bruffey, S. H.
Mirzadeh, S.
Stracener, D. W.
Williams, C. L.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Measurement Of Cross Sections For The Th-232 (P, 4n) Pa-229 Reaction At
Low Proton Energies
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE Medical isotopes; Thorium; accelerator
ID HRIBF; CU
AB The alpha-emitters Ac-225 and Bi-213 are of great interest for alpha-radioimmunotherapy which uses radioisotopes attached to cancer-seeking antibodies to efficiently treat various types of cancers. Both radioisotopes are daughters of the long-lived Th-229 (t(1/2) = 7880y). Th-229 can be produced by proton irradiation of Th-232 and Th-230, either directly or through production of isobars that beta-decay into Th-229. To obtain excitation functions, Th-232 and Th-230 have been irradiated at the On-Line Test Facility at the Holifield Radioactive Ion Beam Facility at ORNL. Benchmark tests conducted with Cu and Ni foils show very good agreement with literature results. The experiments with thorium targets were focused on the production of Pa-229 and its daughter Ac-225 from both Th-232 and Th-230. Differential cross-sections for production of Pa-229 and other Pa isotopes have been obtained.
C1 [Jost, C. U.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA.
[Griswold, J. R.] Univ Tennessee, Dept Nuclear Engn, Knoxville, TN 37996 USA.
[Griswold, J. R.; Bruffey, S. H.; Mirzadeh, S.] Oak Ridge Natl Lab, Fuel Cycle & Isotope Div, Oak Ridge, TN 37831 USA.
[Stracener, D. W.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.
[Williams, C. L.] Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA.
RP Jost, CU (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA.
FU Office of Nuclear Physics of U.S. Department of Energy (DOE);
UT-Battelle LLC [DE-AC05-00OR22725]; US Department of Energy
FX Research supported by the Office of Nuclear Physics of the U.S.
Department of Energy (DOE). The authors gratefully acknowledge the
efforts of the HRIBF staff in delivering the high-quality proton beams
that made this study possible. This manuscript has been authored by
UT-Battelle LLC under Contract No. DE-AC05-00OR22725 with the US
Department of Energy. The US Government retains and the publisher, by
accepting the article for publication, acknowledges that the US
Government retains a non-exclusive, paid-up, irrevocable, worldwide
license to publish or reproduce the published form of this manuscript,
or allow others to do so, for United States Government purposes.
NR 12
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U1 0
U2 3
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 520
EP 524
DI 10.1063/1.4802383
PG 5
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900104
ER
PT S
AU Manning, B
Cizewski, JA
Kozub, RL
Ahn, S
Allmond, JM
Bardayan, DW
Beene, JR
Chae, KY
Chipps, KA
Galindo-Uribarri, A
Howard, ME
Jones, KL
Liang, JF
Matos, M
Nesaraja, CD
O'Malley, PD
Pain, SD
Padilla-Rodal, E
Peters, WA
Pittman, ST
Radford, DC
Ratkiewicz, A
Schmitt, KT
Shapira, D
Smith, MS
AF Manning, B.
Cizewski, J. A.
Kozub, R. L.
Ahn, S.
Allmond, J. M.
Bardayan, D. W.
Beene, J. R.
Chae, K. Y.
Chipps, K. A.
Galindo-Uribarri, A.
Howard, M. E.
Jones, K. L.
Liang, J. F.
Matos, M.
Nesaraja, C. D.
O'Malley, P. D.
Pain, S. D.
Padilla-Rodal, E.
Peters, W. A.
Pittman, S. T.
Radford, D. C.
Ratkiewicz, A.
Schmitt, K. T.
Shapira, D.
Smith, M. S.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Single-Neutron Levels Near The N=82 Shell Closure
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE Transfer Reactions; Single-Particle States; Shell Model; Radioactive Ion
Beams
ID COULOMB-EXCITATION; BEAMS; HRIBF
AB The (d,p) reaction was measured with the radioactive ion beams of Sn-126 and Sn-128 in inverse kinematics at the Holifield Radioactive Ion Beam Facility at Oak Ridge National Laboratory, utilizing the SuperORRUBA silicon detector array. Angular distributions of reaction protons were measured for several states in Sn-127 and Sn-129 to determine angular momentum transfers and deduce spectroscopic factors. Such information is critical for calculating direct (n,gamma) cross sections for the r-process as well as for constraining shell model parameters in the A approximate to 130 region. Combined with previous experiments on Sn-130 and Sn-132, these results will provide a complete set of (d, p) reaction data on even tin isotopes between stable Sn-124 and doubly-magic Sn-132.
C1 [Manning, B.; Cizewski, J. A.; Howard, M. E.; O'Malley, P. D.; Ratkiewicz, A.] Rutgers State Univ, Dept Phys & Astron, POB 849, Piscataway, NJ 08854 USA.
[Kozub, R. L.] Tennessee Technol Univ, Dept Phys, Cookeville, TN 38505 USA.
[Ahn, S.; Galindo-Uribarri, A.; Jones, K. L.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA.
[Allmond, J. M.] JIHIR, Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Bardayan, D. W.; Beene, J. R.; Galindo-Uribarri, A.; Nesaraja, C. D.; Pain, S. D.; Pittman, S. T.; Radford, D. C.; Schmitt, K. T.; Shapira, D.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.
[Chae, K. Y.] Sungkyunkwan Univ, Dept Phys, Suwon, South Korea.
[Chipps, K. A.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA.
[Matos, M.] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA.
[Padilla-Rodal, E.] Univ Nacl Autonoma Mexico, Inst Nucl Sci, Mexico City 04510, DF, Mexico.
[Peters, W. A.] Oak Ridge Associated Univ, Oak Ridge, TN 37830 USA.
RP Manning, B (reprint author), Rutgers State Univ, Dept Phys & Astron, POB 849, Piscataway, NJ 08854 USA.
RI radford, David/A-3928-2015; Jones, Katherine/B-8487-2011; Pain,
Steven/E-1188-2011;
OI Jones, Katherine/0000-0001-7335-1379; Pain, Steven/0000-0003-3081-688X;
Nesaraja, Caroline/0000-0001-5571-8341; Chipps,
Kelly/0000-0003-3050-1298; Allmond, James Mitchell/0000-0001-6533-8721
FU U.S. Department of Energy; National Science Foundation
FX We would like to thank Dan Stracener and Cara Jost who provided critical
accelerator physics expertise in support of these experiments. This work
is supported in part by the U.S. Department of Energy and National
Science Foundation.
NR 17
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PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 548
EP 551
DI 10.1063/1.4802388
PG 4
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900109
ER
PT S
AU Laptev, AB
Tovesson, F
Hill, TS
AF Laptev, A. B.
Tovesson, F.
Hill, T. S.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Neutron-Induced Fission Cross Section Measurements For Uranium Isotopes
U-236 And U-234 At LANSCE
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE Fission; cross section; actinides; fast neutrons; time-of-flight
ID SCIENCE
AB A well established program of neutron-induced fission cross section measurement at Los Alamos Neutron Science Center (LANSCE) is supporting the Fuel Cycle Research program (FC R&D). The incident neutron energy range spans from sub-thermal up to 200 MeV by combining two LANSCE facilities, the Lujan Center and the Weapons Neutron Research facility (WNR). The time-of-flight method is implemented to measure the incident neutron energy. A parallel-plate fission ionization chamber was used as a fission fragment detector. The event rate ratio between the investigated foil and a standard U-235 foil is converted into a fission cross section ratio. In addition to previously measured data new measurements include U-236 data which is being analyzed, and U-234 data acquired in the 2011-2012 LANSCE run cycle. The new data complete the full suite of Uranium isotopes which were investigated with this experimental approach. Obtained data are presented in comparison with existing evaluations and previous data.
C1 [Laptev, A. B.; Tovesson, F.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RP Laptev, AB (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RI Laptev, Alexander/D-4686-2009
OI Laptev, Alexander/0000-0002-9759-9907
FU US Department of Energy and operated by Los Alamos National Security;
LLC [DE-AC52-06NA25396]; US Department of Energy; operated by Los Alamos
National Security, LLC [DE-AC52-06NA25396]
FX This work has benefited from the use of the Los Alamos Neutron Science
Center at the Los Alamos National Laboratory. This facility is funded by
the US Department of Energy and operated by Los Alamos National
Security, LLC under contract DE-AC52-06NA25396.
NR 11
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PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 563
EP 566
DI 10.1063/1.4802391
PG 4
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900112
ER
PT S
AU Boswell, MS
Elliott, SR
Guiseppe, V
Kidd, M
Rundberg, B
Tybo, J
AF Boswell, M. S.
Elliott, S. R.
Guiseppe, V.
Kidd, M.
Rundberg, B.
Tybo, J.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Neutron-Induced Reactions In The Hohlraum To Study Reaction In Flight
Neutrons
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE Diagnostic; National Ignition Facility (NIF); gold; Reaction In Flight
(RIF); explosions; plasma diagnostics; neutron sources
AB We are currently developing the physics necessary to measure the Reaction In Flight (RIF) neutron flux from a NIF capsule. A measurement of the RIF neutron flux from a NIF capsule could be used to deduce the stopping power in the cold fuel of the NIF capsule. A foil irradiated at the Omega laser at LLE was counted at the LANL low-background counting facility at WIPP. The estimated production rate of Au-195 was just below our experimental sensitivity. We have made several improvements to our counting facility in recent months. These improvements are designed to increase our sensitivity, and include installing two new low-background detectors, and taking steps to reduce noise in the signals.
C1 [Boswell, M. S.; Elliott, S. R.; Tybo, J.] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA.
RP Boswell, MS (reprint author), Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA.
FU US Department of Energy [DEAC52-06NA25396]; LANL/LDRD Program
FX support of the US Department of Energy under contract
DEAC52-06NA25396,and the LANL/LDRD Program.We also wish to thank the
technical staff at WIPP fortheir hospitality and assistance getting the
laboratory together.
NR 5
TC 0
Z9 0
U1 0
U2 4
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 567
EP 569
DI 10.1063/1.4802392
PG 3
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900113
ER
PT S
AU Baramsai, B
Mitchell, GE
Walker, CL
Bredeweg, TA
Couture, A
Haight, RC
Jandel, M
Mosb, S
O'Donnell, JM
Rundberg, RS
Rusev, G
Ullmann, JL
Vieira, DJ
Becvar, F
Krticka, M
Kroll, J
Agvaanluvsan, U
Dashdorj, D
Erdenehuluun, B
Tsend-Ayush, T
AF Baramsai, B.
Mitchell, G. E.
Walker, C. L.
Bredeweg, T. A.
Couture, A.
Haight, R. C.
Jandel, M.
Mosb, S.
O'Donnell, J. M.
Rundberg, R. S.
Rusev, G.
Ullmann, J. L.
Vieira, D. J.
Becvar, F.
Krticka, M.
Kroll, J.
Agvaanluvsan, U.
Dashdorj, D.
Erdenehuluun, B.
Tsend-Ayush, T.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI (n,gamma) Experiments On Tin Isotopes
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE Neutron capture; Tin; gamma-ray multiplicity; resonance spin and parity
AB Neutron capture experiments on highly enriched Sn-117,Sn- 119 isotopes were performed with the DANCE detector array located at the Los Alamos Neutron Science Center. The DANCE detector provides detailed information about the multi-step gamma-ray cascade following neutron capture. Analysis of the experimental data provides important information to improve understanding of the neutron capture reaction, including a test of the statistical model, the assignment of spins and parities of neutron resonances, and information concerning the Photon Strength Function (PSF) and Level Density (LD) below the neutron separation energy. Preliminary results for the (n,gamma) reaction on Sn-117,Sn- 119 are presented. Resonance spins of the odd-A tin isotopes were almost completely unknown. Resonance spins and parities have been assigned via analysis of the multi-step gamma-ray spectra and directional correlations.
C1 [Baramsai, B.; Mitchell, G. E.; Walker, C. L.; Rusev, G.] N Carolina State Univ, Raleigh, NC 27695 USA.
[Baramsai, B.; Mitchell, G. E.; Walker, C. L.; Rusev, G.] Triangle Univ Nucl Lab, Durham, NC 27708 USA.
[Bredeweg, T. A.; Couture, A.; Haight, R. C.; Jandel, M.; O'Donnell, J. M.; Rundberg, R. S.; Ullmann, J. L.; Vieira, D. J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Becvar, F.; Krticka, M.; Kroll, J.] Charles Univ Prague, Prague 18000, Czech Republic.
[Agvaanluvsan, U.; Dashdorj, D.; Erdenehuluun, B.; Tsend-Ayush, T.] MonAme Scientif Res Ctr, Ulaanbaatar, Mongol Peo Rep.
RP Baramsai, B (reprint author), N Carolina State Univ, Raleigh, NC 27695 USA.
FU U. S. Department of Energy [DE-FG52-09NA29460, DE-FG02-97-ER41042]; U.S.
DOE [DE-AC52-06NA25396]
FX This work was supported in part by the U. S. Department of Energy Grants
No. DE-FG52-09NA29460 and No. DE-FG02-97-ER41042 and performed under the
auspices of the U.S. DOE under contracts No. DE-AC52-06NA25396.
NR 8
TC 0
Z9 0
U1 1
U2 7
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 577
EP 580
DI 10.1063/1.4802394
PG 4
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900115
ER
PT S
AU Harwood, L
AF Harwood, Leigh
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Upgrade Of CEBAF From 6 Gev To 12 Gev: Status
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp (NEC)
DE Electron accelerator; linac; srf; upgrade
AB The CEBAF accelerator is being upgraded from 6 GeV to 12 GeV by the US Department of Energy. The accelerator upgrade is being done within the existing tunnel footprint. The accelerator upgrade includes: 10 new srf-based high-performance cryomodules plus RF systems, doubling the 2K helium plant's capability, upgrading the existing beamlines to operate at nearly double the original performance envelope, and adding a beamline to a new experimental area. Construction is over 75% complete with final completion projected for late FY13. Details of the upgrade and status of the work will be presented.
C1 Jefferson Lab, Newport News, VA 23606 USA.
RP Harwood, L (reprint author), Jefferson Lab, 12000 Jefferson Ave, Newport News, VA 23606 USA.
NR 6
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 595
EP 599
DI 10.1063/1.4802397
PG 5
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900118
ER
PT S
AU Boswell, MS
Young, AR
Ejiri, H
AF Boswell, M. S.
Young, A. R.
Ejiri, H.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Gamow-Teller Strength Studied Through Gamma-Excitation Of Isobaric
Analog States
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE double beta decay; free electron lasers; nuclear structure; Gamow-Teller
transitions; beta decay
AB We consider a measurement of isobaric analog states (IAS) of 76As in 76Se as a method for measuring the Gamow-Teller (GT) strength important to constrain and possibly help normalize calculations of double beta (beta beta) decay matrix elements. We show that photo-nuclear reactions via IAS can provide valuable information about the parent and daughter states of beta beta-decay not currently available from measurements of charge exchange reactions. Several experiments have been proposed at the HI square S facility at the Triangle Nuclear Research Laboratory in Durham, NC, the first of which will measure the lowest 1(-), 1(+) and 2(+) IAS in Se-76.
C1 [Boswell, M. S.] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA.
RP Boswell, MS (reprint author), Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA.
FU US Department of Energy through the LANL/LDRD Program; U.S. Department
of Energy; Office of Nuclear Physics [2011LANLE9BW]
FX We gratefully acknowledge the support of the US Department of Energy
through the LANL/LDRD Program for part of this work. We also acknowledge
the support of the U.S. Department of Energy, Office of Nuclear Physics
under Contract No. 2011LANLE9BW.
NR 17
TC 0
Z9 0
U1 0
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 600
EP 603
DI 10.1063/1.4802398
PG 4
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900119
ER
PT S
AU Allmond, JM
AF Allmond, J. M.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Direct-Reaction Studies By Particle-gamma Coincidence Spectroscopy Using
Csi-Hpge And Si-Hpge Arrays
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE direct reaction; transfer reaction; particle-gamma coincidence
spectroscopy; angular correlation
ID SURROGATE REACTION TECHNIQUE; SILICON DETECTOR ARRAY; REX-ISOLDE;
INVERSE KINEMATICS; BEAM; SPECTROMETER; RAY; GAMMASPHERE; SCATTERING;
NUCLEI
AB Particle-gamma and particle-gamma-gamma coincidence spectroscopy has several advantages in the study of direct reactions (particularly in inverse kinematics) since it can generally allow determination of: decay paths; high-precision level energies; multipolarities of transitions; and cross sections. Techniques for studying direct reactions by particle-gamma coincidence spectroscopy are presented for two cases: (1) heavy-ion reactions with CsI-HPGe, and (2) light-ion reactions with Si-HPGe. Future direct-reaction studies with radioactive ion beams (RIBs) will mostly involve low beam intensities and inverse kinematics (i.e., A(beam)>A(target)), which eliminates the traditional use of magnetic spectrometers. Particle-gamma coincidence spectroscopy currently provides the most viable method to study direct reactions with nuclei of any level density. In the present study, the capabilities and limitations of the technique are explored.
C1 Oak Ridge Natl Lab, Joint Inst Heavy Ion Res, Oak Ridge, TN 37831 USA.
RP Allmond, JM (reprint author), Oak Ridge Natl Lab, Joint Inst Heavy Ion Res, Oak Ridge, TN 37831 USA.
OI Allmond, James Mitchell/0000-0001-6533-8721
NR 57
TC 1
Z9 1
U1 0
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 610
EP 615
DI 10.1063/1.4802400
PG 6
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900121
ER
PT S
AU Rajasekhara, S
Ferreira, PJ
Hattar, K
AF Rajasekhara, S.
Ferreira, P. J.
Hattar, K.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Microstructural Evolution Of Nanocrystalline Nickel Thin Films Due To
High-Energy Heavy-Ion Irradiation
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp (NEC)
DE Nanocrystalline nickel; ion irradiation; precession electron diffraction
microscopy
ID ELECTRON-DIFFRACTION INTENSITIES; LASER DEPOSITED NICKEL; ABNORMAL
GRAIN-GROWTH; RADIATION-DAMAGE; BOMBARDMENT; HE
AB This initial feasibility study demonstrates that recent advancements in precession electron diffraction microscopy can be applied to nanostructured metals exposed to high displacement damage from a Tandem accelerator. In this study, high purity, nanocrystalline, free-standing nickel thin films produced by pulsed laser deposition were irradiated with approximately 3 x 10(14) ions/cm(2) of 35 MeV Ni6+ ions resulting in an approximately uniform damage profile to approximately 16 dpa. Pristine and ion-irradiated regions of the nanocrystalline Ni films were characterized by conventional transmission electron microscopy and precession electron diffraction microscopy. Precession electron diffraction microscopy provided additional insight into the texture, phase, and grain boundary distribution resulting from the displacement damage that could not be obtained from traditional electron microscopy techniques. For the nanocrystalline nickel film studied, this included the growth in number and percentage of a metastable hexagonal closed packed phase grains and the formation of large < 001 > textured face centered cubic grains. The application of precession electron diffraction microscopy to characterize other nanocrystalline metals, which are being considered for radiation tolerant applications, will permit a comparison of materials that goes beyond the dominant length scale to consider the effects of local phase, texture, and grain boundary or interface information.
C1 [Rajasekhara, S.; Hattar, K.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Rajasekhara, S (reprint author), Sandia Natl Labs, POB 5800 MS 1056, Albuquerque, NM 87185 USA.
NR 31
TC 1
Z9 1
U1 3
U2 22
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 630
EP 635
DI 10.1063/1.4802404
PG 6
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900125
ER
PT S
AU Quinn, H
AF Quinn, Heather
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI The Use Of Accelerated Radiation Testing For Avionics
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp (NEC)
DE neutron radiation; single-event effects; accelerated facilities
AB In recent years, the use of unmanned aerial vehicles (UAVs) for military and national security applications has been increasing. One possible use of these vehicles is as remote sensing platforms, where the UAV carries several sensors to provide real-time information about biological, chemical or radiological agents that might have been released into the environment. One such UAV, the Global Hawk, has a payload space that can carry nearly one ton of sensing equipment, which makes these platforms significantly larger than many satellites. Given the size of the potential payload and the heightened radiation environment at high altitudes, these systems could be affected by the radiation-induced failure mechanisms from the naturally occurring terrestrial environment. In this paper, we will explore the use of accelerated radiation testing to prepare UAV payloads for deployment.
C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Quinn, H (reprint author), Los Alamos Natl Lab, ISR-3 MS D440, Los Alamos, NM 87545 USA.
NR 5
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 643
EP 648
DI 10.1063/1.4802406
PG 6
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900127
ER
PT S
AU McCloy, JS
Jiang, WL
Sundararajan, JA
Qiang, Y
Burks, E
Liu, K
AF McCloy, John S.
Jiang, Weilin
Sundararajan, Jennifer A.
Qiang, You
Burks, Edward
Liu, Kai
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Structure And Magnetic Properties Of Irradiated Fe-Fe Oxide Core-Shell
Nanoclusters
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp (NEC)
DE nanocluster; granular magnetite film; ion irradiation; first-order
reversal curve
ID PARTICLES
AB A cluster deposition method was used to produce a film of loosely aggregated particles of Fe-Fe3O4 core-shell nanoclusters with an 8 nm iron core size and 2 nm oxide shell thickness. The film of particles on a silicon substrate was irradiated with 5.5 MeV Si2+ ions to a fluence of 10(16) cm(-2) near room temperature, and computer simulations based on the SRIM (Stopping and Range of Ions in Matter) code show that the implanted Si species stops near the film-substrate interface. The ion irradiation creates a structural change in the film with corresponding chemical and magnetic changes. X-ray diffraction shows that the core size and chemistry stay the same but the shell becomes FeO that grows to a thickness of 17 nm. Helium ion microscopy shows that the previously separate particles have densified into a nearly continuous film. Major loop magnetic hysteresis measurements show a decrease in saturation magnetization that we attribute to the presence of the antiferromagnetic (AFM) FeO shell. First-order reversal curve measurements on the irradiated film performed with a vibrating sample magnetometer show that the AFM shell prevents the particles from interacting magnetically, leading to low coercivity from the iron core and little bias field from the core interactions. These results, and others reported previously on different compositions (Fe3O4 or FeO + Fe3N nanoclusters), show that the ion irradiation behavior of nanocluster films such as these depends strongly on the initial nanostructure and chemistry.
C1 [McCloy, John S.; Jiang, Weilin] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP McCloy, JS (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA.
RI McCloy, John/D-3630-2013; Liu, Kai/B-1163-2008
OI McCloy, John/0000-0001-7476-7771; Jiang, Weilin/0000-0001-8302-8313;
Liu, Kai/0000-0001-9413-6782
NR 18
TC 3
Z9 3
U1 1
U2 14
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 659
EP 662
DI 10.1063/1.4802409
PG 4
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900130
ER
PT S
AU Tang, V
Rusnak, B
Falabella, S
Hawkins, S
McCarrick, JF
Wang, H
Hall, JM
Ellsworth, J
AF Tang, V.
Rusnak, B.
Falabella, S.
Hawkins, S.
McCarrick, J. F.
Wang, H.
Hall, J. M.
Ellsworth, J.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Accelerator Driven Gamma And Fast Neutron Radiography Test-Bed At
Lawrence Livermore National Laboratory
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp (NEC)
DE fusion gammas; neutrons; radiography; NDE; imaging
ID 12C(D
AB Accelerator driven fusion gammas and fast neutrons could provide unique radiography capabilities due to their ability to produce both high and low energy mono-energetic gammas and neutrons compared with broadband bremsstrahlung based x-ray sources. The possibility of simultaneously obtaining both gamma and neutron radiographs using one source could allow complex objects composed of a large range of low to high Z materials to be imaged. In this paper we review a 4 MV RFQ accelerator driven radiography test-bed at LLNL designed to study the physics involved in applying these dual output fusion reactions for radiography applications. First experimental neutron images from a carbon target are presented.
C1 [Tang, V.; Rusnak, B.; Falabella, S.; Hawkins, S.; McCarrick, J. F.; Wang, H.; Hall, J. M.; Ellsworth, J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Tang, V (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
NR 11
TC 1
Z9 1
U1 1
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 714
EP 719
DI 10.1063/1.4802420
PG 6
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900141
ER
PT S
AU Chen, AX
Antolak, AJ
Leung, KN
Raber, TN
Morse, DH
AF Chen, A. X.
Antolak, A. J.
Leung, K. -N.
Raber, T. N.
Morse, D. H.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI Pulsed Pyroelectric Crystal-Powered Gamma Source
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp (NEC)
DE pyroelectric; gamma source; RF source; d-Be reaction
ID ION-SOURCE; DRIVEN
AB A compact pulsed gamma generator is being developed to replace radiological sources used in commercial, industrial and medical applications. Mono-energetic gammas are produced in the 0.4 - 1.0 MeV energy range using nuclear reactions such as Be-9(d,n gamma)B-10. The gamma generator employs an RF-driven inductively coupled plasma ion source to produce deuterium ion current densities up to 2 mA/mm(2) and ampere-level current pulses can be attained by utilizing an array extraction grid. The extracted deuterium ions are accelerated to approximately 300 keV via a compact stacked pyroelectric crystal system and then bombard the beryllium target to generate gammas. The resulting microsecond pulse of gammas is equivalent to a radiological source with curie-level activity.
C1 [Chen, A. X.; Antolak, A. J.; Leung, K. -N.; Raber, T. N.; Morse, D. H.] Sandia Natl Labs, Livermore, CA 94550 USA.
RP Chen, AX (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA.
NR 15
TC 2
Z9 2
U1 0
U2 6
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 720
EP 724
DI 10.1063/1.4802421
PG 5
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900142
ER
PT S
AU Norgard, P
Kovaleski, SD
VanGordon, JA
Baxter, EA
Gall, BB
Kwon, JW
Kim, BH
Dale, GE
AF Norgard, P.
Kovaleski, S. D.
VanGordon, J. A.
Baxter, E. A.
Gall, B. B.
Kwon, Jae Wan
Kim, Baek Hyun
Dale, G. E.
BE McDaniel, FD
Doyle, BL
Glass, GA
Wang, Y
TI A Compact Ion Source And Accelerator Based On A Piezoelectric Driver
SO APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 22nd International Conference on the Application of Accelerators in
Research and Industry (CAARI)
CY AUG 05-10, 2012
CL Fort Worth, TX
SP Sandia Natl Labs, Univ N Texas, Los Alamos Natl Lab, Pacific NW Natl Lab, High Voltage Engn Europa B V, Kurt J Lester Co, Natl Electrostat Corp
DE Piezoelectric transformer; compact neutron source; piezoelectric
transformer plasma source
AB Compact ion sources and accelerators using piezoelectric devices for the production of energetic ion beams are being evaluated. A coupled source-accelerator is being tested as a neutron source to be incorporated into oil-well logging diagnostics. Two different ion sources are being investigated, including a piezoelectric transformer-based plasma source and a silicon-based field ion source. The piezoelectric transformer plasma ion source uses a cylindrical, resonantly driven piezoelectric crystal to produce high voltage inside a confined volume filled with low pressure deuterium gas. The plasma generated in the confined chamber is ejected through a small aperture into an evacuated drift region. The silicon field ion source uses localized electric field enhancement produced by an array of sharp emitters etched into a silicon blank to produce ions through field desorption ionization. A second piezoelectric device of a different design is used to generate an accelerating potential on the order of 130 kV; this potential is applied to a deuterated target plate positioned perpendicular to the ion stream produced by either plasma source. This paper discusses the results obtained by the individual components as they relate to the final neutron source.
C1 [Norgard, P.; Kovaleski, S. D.; VanGordon, J. A.; Baxter, E. A.; Gall, B. B.; Kwon, Jae Wan; Kim, Baek Hyun] Univ Missouri, Elect & Comp Engn Dept, 349 Engn Bldg West, Columbia, MO 65211 USA.
[Dale, G. E.] Los Alamos Natl Lab, High Power Electdynam Grp, Los Alamos, NM 87545 USA.
RP Norgard, P (reprint author), Univ Missouri, Elect & Comp Engn Dept, 349 Engn Bldg West, Columbia, MO 65211 USA.
OI Norgard, Peter/0000-0002-5332-5998; Kovaleski, Scott/0000-0002-5831-6388
FU Qynergy and Los Alamos National Laboratory
FX This work was supported by Qynergy and Los Alamos National Laboratory
NR 10
TC 0
Z9 0
U1 0
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1148-7
J9 AIP CONF PROC
PY 2013
VL 1525
BP 725
EP 730
DI 10.1063/1.4802422
PG 6
WC Physics, Applied; Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BFI58
UT WOS:000319997900143
ER
PT J
AU Burrows, SM
Rayner, PJ
Butler, T
Lawrence, MG
AF Burrows, S. M.
Rayner, P. J.
Butler, T.
Lawrence, M. G.
TI Estimating bacteria emissions from inversion of atmospheric transport:
sensitivity to modelled particle characteristics
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID CHEMISTRY-CLIMATE MODEL; SUBMODEL SYSTEM MESSY; TRACER TRANSPORT;
TECHNICAL NOTE; CONVECTION PARAMETERISATIONS; DIFFERENT ECOSYSTEMS;
GLOBAL SIMULATIONS; AEROSOL-PARTICLES; IMPLEMENTATION; FORMULATIONS
AB Model-simulated transport of atmospheric trace components can be combined with observed concentrations to obtain estimates of ground-based sources using various inversion techniques. These approaches have been applied in the past primarily to obtain source estimates for long-lived trace gases such as CO2. We consider the application of similar techniques to source estimation for atmospheric aerosols, using as a case study the estimation of bacteria emissions from different ecosystem regions in the global atmospheric chemistry and climate model ECHAM5/MESSy-Atmospheric Chemistry (EMAC).
Source estimation via Markov Chain Monte Carlo is applied to a suite of sensitivity simulations, and the global mean emissions are estimated for the example problem of bacteria-containing aerosol particles. We present an analysis of the uncertainties in the global mean emissions, and a partitioning of the uncertainties that are attributable to particle size, activity as cloud condensation nuclei (CCN), the ice nucleation scavenging ratios for mixed-phase and cold clouds, and measurement error. \ For this example, uncertainty due to CCN activity or to a 1 mu m error in particle size is typically between 10% and 40% of the uncertainty due to observation uncertainty, as measured by the 5-95th percentile range of the Monte Carlo ensemble. Uncertainty attributable to the ice nucleation scavenging ratio in mixed-phase clouds is as high as 10-20% of that attributable to observation uncertainty. Taken together, the four model parameters examined contribute about half as much to the uncertainty in the estimated emissions as do the observations. This was a surprisingly large contribution from model uncertainty in light of the substantial observation uncertainty, which ranges from 81-870% of the mean for each of ten ecosystems for this case study. The effects of these and other model parameters in contributing to the uncertainties in the transport of atmospheric aerosol particles should be treated explicitly and systematically in both forward and inverse modelling studies.
C1 [Burrows, S. M.; Butler, T.; Lawrence, M. G.] Max Planck Inst Chem, D-55128 Mainz, Germany.
[Rayner, P. J.] Univ Melbourne, Sch Earth Sci, Melbourne, Vic, Australia.
RP Burrows, SM (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM susannah.burrows@pnnl.gov
RI Burrows, Susannah/A-7429-2011
OI Burrows, Susannah/0000-0002-0745-7252
FU U. S. Department of Energy; Australian Professorial Fellowship
[DP1096309]
FX Susannah Burrows was supported in part by the U. S. Department of Energy
as part of the Earth System Modeling Program. Peter Rayner is in receipt
of an Australian Professorial Fellowship (DP1096309). We gratefully
acknowledge the efforts of the EMAC development team to develop and make
available the EMAC modelling system.
NR 55
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U1 1
U2 17
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2013
VL 13
IS 11
BP 5473
EP 5488
DI 10.5194/acp-13-5473-2013
PG 16
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 164AD
UT WOS:000320380200004
ER
PT J
AU Jin, H
Won, N
Ahn, B
Kwag, J
Heo, K
Oh, JW
Sun, YT
Cho, SG
Lee, SW
Kim, S
AF Jin, Ho
Won, Nayoun
Ahn, Boeun
Kwag, Jungheon
Heo, Kwang
Oh, Jin-Woo
Sun, Yintao
Cho, Soo Gyeong
Lee, Seung-Wuk
Kim, Sungjee
TI Quantum dot-engineered M13 virus layer-by-layer composite films for
highly selective and sensitive turn-on TNT sensors
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID NANOCRYSTALS; FLUORESCENCE; EXPLOSIVES; HYBRID; QDS; CDS
AB We developed quantum dot-engineered M13 virus layer-by-layer hybrid composite films with incorporated fluorescence quenchers. TNT is designed to displace the quenchers and turn on the quantum dot fluorescence. TNT was detected at the sub ppb level with a high selectivity.
C1 [Jin, Ho; Won, Nayoun; Ahn, Boeun; Kim, Sungjee] Pohang Univ Sci & Technol POSTECH, Dept Chem, Pohang 790784, South Korea.
[Kwag, Jungheon; Kim, Sungjee] POSTECH, Sch Interdisciplinary Biosci & Bioengn, Pohang, South Korea.
[Heo, Kwang; Oh, Jin-Woo; Sun, Yintao; Lee, Seung-Wuk] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA.
[Heo, Kwang; Oh, Jin-Woo; Sun, Yintao; Lee, Seung-Wuk] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Cho, Soo Gyeong] Agcy Def Dev, Def Adv R&D Ctr, Taejon 305600, South Korea.
RP Kim, S (reprint author), Pohang Univ Sci & Technol POSTECH, Dept Chem, Pohang 790784, South Korea.
EM sungjee@postech.ac.kr
RI Heo, Kwang/B-1133-2015;
OI Kim, Sungjee/0000-0002-1289-1926
FU Defense Acquisition Program Administration; Agency for Defense
Development [ADD-08-11-03]; KOSEF grant; MOST [20120006280,
2009-0094036]; NRF; Center of Integrated Nanomechanical Systems (COINS)
of the National Science Foundation [EEC-0832819]
FX This work was supported by Defense Acquisition Program Administration
and Agency for Defense Development under the contract ADD-08-11-03,
KOSEF grant funded by MOST (20120006280), and Basic Science Research
Program through NRF funded by MOST (2009-0094036). LWS acknowledges
support from Center of Integrated Nanomechanical Systems (COINS) of the
National Science Foundation (Grant No. EEC-0832819).
NR 22
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U1 1
U2 57
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2013
VL 49
IS 54
BP 6045
EP 6047
DI 10.1039/c3cc42032a
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 161ND
UT WOS:000320199000012
PM 23722503
ER
PT J
AU Carraher, JM
Bakac, A
AF Carraher, Jack M.
Bakac, Andreja
TI Alkyl group versus hydrogen atom transfer from metal alkyls to
macrocyclic rhodium complexes
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID LIVING RADICAL POLYMERIZATION; HOMOLYTIC SUBSTITUTION; ORGANIC RADICALS;
VINYL-ACETATE; CARBON BONDS; COBALT; INVERSION; KINETICS; ABSTRACTION;
DIALKYLZINC
AB Macrocyclic rhodium(II) complexes LRh(H2O)(2+) react with (dmgH)(2)-(H2O)CoR and with (H2O)(5)CrR2+ by alkyl transfer for R = CH3 to generate L(H2O)RhCH32+. When R = C2H5, C3H7 or C4H9, the reaction takes place by hydrogen atom abstraction from the coordinated alkyl and produces L(H2O)RhH2+ and an alpha-olefin.
C1 [Bakac, Andreja] Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
RP Bakac, A (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
EM carraher@iastate.edu; bakac@ameslab.gov
FU U.S. Department of Energy, Office of Basic Energy Sciences, Chemical
Sciences, Geosciences, and Biosciences Division through the Ames
Laboratory; U.S. Department of Energy [DE-AC02-07CH11358]
FX This research was supported by the U.S. Department of Energy, Office of
Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences
Division through the Ames Laboratory. The Ames Laboratory is operated
for the U.S. Department of Energy by Iowa State University under
Contract No. DE-AC02-07CH11358.
NR 28
TC 1
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U1 0
U2 8
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2013
VL 49
IS 54
BP 6099
EP 6101
DI 10.1039/c3cc43472a
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 161ND
UT WOS:000320199000030
PM 23727728
ER
PT J
AU Cernusak, LA
Winter, K
Dalling, JW
Holtum, JAM
Jaramillo, C
Korner, C
Leakey, ADB
Norby, RJ
Poulter, B
Turner, BL
Wright, SJ
AF Cernusak, Lucas A.
Winter, Klaus
Dalling, James W.
Holtum, Joseph A. M.
Jaramillo, Carlos
Koerner, Christian
Leakey, Andrew D. B.
Norby, Richard J.
Poulter, Benjamin
Turner, Benjamin L.
Wright, S. Joseph
TI Tropical forest responses to increasing atmospheric CO2: current
knowledge and opportunities for future research
SO FUNCTIONAL PLANT BIOLOGY
LA English
DT Review
DE carbon storage; CO2 enrichment; liana; phosphorus; succession; water use
efficiency
ID WATER-USE EFFICIENCY; ELEVATED CARBON-DIOXIDE; AMAZON RAIN-FOREST; SOIL
ORGANIC PHOSPHORUS; GLOBAL VEGETATION MODEL; BARRO-COLORADO ISLAND;
BASIN-WIDE VARIATIONS; FICUS-INSIPIDA WILLD; STOMATAL CONDUCTANCE;
LONG-TERM
AB Elevated atmospheric CO2 concentrations (ca) will undoubtedly affect the metabolism of tropical forests worldwide; however, critical aspects of how tropical forests will respond remain largely unknown. Here, we review the current state of knowledge about physiological and ecological responses, with the aim of providing a framework that can help to guide future experimental research. Modelling studies have indicated that elevated ca can potentially stimulate photosynthesis more in the tropics than at higher latitudes, because suppression of photorespiration by elevated ca increases with temperature. However, canopy leaves in tropical forests could also potentially reach a high temperature threshold under elevated ca that will moderate the rise in photosynthesis. Belowground responses, including fine root production, nutrient foraging and soil organic matter processing, will be especially important to the integrated ecosystem response to elevated ca. Water use efficiency will increase as ca rises, potentially impacting upon soil moisture status and nutrient availability. Recruitment may be differentially altered for some functional groups, potentially decreasing ecosystem carbon storage. Whole-forest CO2 enrichment experiments are urgently needed to test predictions of tropical forest functioning under elevated ca. Smaller scale experiments in the understorey and in gaps would also be informative, and could provide stepping stones towards stand-scale manipulations.
C1 [Cernusak, Lucas A.] James Cook Univ, Sch Marine & Trop Biol, Cairns, Qld 4878, Australia.
[Winter, Klaus; Holtum, Joseph A. M.; Jaramillo, Carlos; Turner, Benjamin L.] Smithsonian Trop Res Inst, Balboa, Ancon, Panama.
[Dalling, James W.; Leakey, Andrew D. B.] Univ Illinois, Dept Plant Biol, Urbana, IL 61801 USA.
[Holtum, Joseph A. M.] James Cook Univ, Sch Marine & Trop Biol, Townsville, Qld 4811, Australia.
[Koerner, Christian] Univ Basel, Inst Bot, CH-4056 Basel, Switzerland.
[Norby, Richard J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
[Norby, Richard J.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA.
[Poulter, Benjamin] Univ Versailles St Quentin, F-91191 Versailles, France.
RP Cernusak, LA (reprint author), James Cook Univ, Sch Marine & Trop Biol, Cairns, Qld 4878, Australia.
EM lcernusak@gmail.com
RI Cernusak, Lucas/A-6859-2011; Turner, Benjamin/E-5940-2011; Korner,
Christian/B-6592-2014; James Cook University, TESS/B-8171-2012; Wright,
Stuart/M-3311-2013; Research ID, CTBCC /O-3564-2014; Norby,
Richard/C-1773-2012; Leakey, Andrew/Q-9889-2016
OI Poulter, Benjamin/0000-0002-9493-8600; Cernusak,
Lucas/0000-0002-7575-5526; Turner, Benjamin/0000-0002-6585-0722; Wright,
Stuart/0000-0003-4260-5676; Norby, Richard/0000-0002-0238-9828; Leakey,
Andrew/0000-0001-6251-024X
FU Smithsonian Tropical Research Institute; Australian Research Council
[FT100100329]
FX This review resulted from a symposium held at the Smithsonian Tropical
Research Institute on 31 March and 1 April 2011. Funding for the
symposium was provided by the Smithsonian Tropical Research Institute.
LAC was supported by a Future Fellowship from the Australian Research
Council (FT100100329).
NR 243
TC 31
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U1 9
U2 142
PU CSIRO PUBLISHING
PI COLLINGWOOD
PA 150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA
SN 1445-4408
J9 FUNCT PLANT BIOL
JI Funct. Plant Biol.
PY 2013
VL 40
IS 6
BP 531
EP 551
DI 10.1071/FP12309
PG 21
WC Plant Sciences
SC Plant Sciences
GA 162NH
UT WOS:000320271400001
ER
PT S
AU Li, H
Li, ST
AF Li, Hui
Li, Shengtai
BE Barge, P
Jorda, L
TI 3D Simulations of Type-I Migration in Nearly Laminar Disks
SO INSTABILITIES AND STRUCTURES IN PROTO-PLANETARY DISKS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT Workshop on Instabilities and Structures in Proto-Planetary Disks
CY SEP 17-20, 2012
CL Marseille, FRANCE
SP AMU, Lab Astrophysique Marseille (LAM)
ID PLANET MIGRATION; COROTATION; TORQUES
AB We report results from 3D hydrodynamic disk simulations with an embedded planet. We examine the planet's migration dependence on the disk viscosity. We find that the Type I migration can be slowed down significantly in low viscosity disks. The density feedback effect that was studied in 2D simulations still exists in 3D disks and causes the slowing down of Type I. Future work will address further the quantitative differences between 3D and 2D in slowing down the migration.
C1 [Li, Hui; Li, Shengtai] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Li, H (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM hli@lanl.gov; sli@lanl.gov
OI Li, Shengtai/0000-0002-4142-3080
NR 13
TC 0
Z9 0
U1 0
U2 0
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0983-7
J9 EPJ WEB CONF
PY 2013
VL 46
AR UNSP 05003
DI 10.1051/epjconf/20134605003
PG 4
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA BFH95
UT WOS:000319936900020
ER
PT J
AU Gaynor, JD
Karakoti, AS
Inerbaev, T
Sanghavi, S
Nachimuthu, P
Shutthanandan, V
Seal, S
Thevuthasan, S
AF Gaynor, James D.
Karakoti, Ajay S.
Inerbaev, Talgat
Sanghavi, Shail
Nachimuthu, P.
Shutthanandan, V.
Seal, S.
Thevuthasan, S.
TI Enzyme-free detection of hydrogen peroxide from cerium oxide
nanoparticles immobilized on poly(4-vinylpyridine) self-assembled
monolayers
SO JOURNAL OF MATERIALS CHEMISTRY B
LA English
DT Article
ID OXIDATIVE STRESS; REACTIVE OXYGEN; NEURODEGENERATIVE DISEASES;
ALZHEIMERS-DISEASE; FLUORESCENT-PROBES; SURFACE; CANCER; CELLS
AB A simple enzyme-free spectrophotometric detection of hydrogen peroxide is demonstrated based on its colorimetric reaction with oxygen deficient cerium oxide nanoparticles (CNPs). This colorimetric sensitivity of CNPs towards H2O2 increases significantly with decreasing crystallite size due to an increase in the surface area as well as the concentration of Ce3+ on the surface. The origin of this colorimetric reaction was studied using DFT that suggests the adsorption of peroxide and oxygen molecules on ceria nanoparticles creates new states in the electronic structure leading to transitions absorbing in the visible region of the electromagnetic spectrum. For detection, a single layer of nanoparticles was immobilized on transparent microscopic glass slides using self-assembled monolayers (SAMs) of poly(4-vinylpyridine) (PVP). Cluster-free and uniform immobilization of nanoparticles was confirmed from atomic force microscopy (AFM) and helium ion microscopy (HIM). UV-Visible absorption measurements showed a concentration dependent increase in absorbance from immobilized CNPs that were exposed to increasing concentrations (10-400 mu M) of hydrogen peroxide. The immobilized CNPs can be baked at 80 degrees C after initial use to regenerate the sensor for reuse. The development of a direct, reusable, enzyme-free and dye-free peroxide sensing technology is possible and can be immediately applied in various areas, including biomedicine and national security.
C1 [Gaynor, James D.] Univ Portland, Dept Chem, Portland, OR 97203 USA.
[Gaynor, James D.; Sanghavi, Shail; Nachimuthu, P.; Shutthanandan, V.; Thevuthasan, S.] Pacific NW Natl Lab, EMSL, Richland, WA 99352 USA.
[Karakoti, Ajay S.] Battelle Sci & Technol Pvt Ltd, Pune 411057, Maharashtra, India.
[Inerbaev, Talgat] Gumilyov Eurasian Natl Univ, Astana 010008, Kazakhstan.
[Seal, S.] Univ Cent Florida, Nanosci & Technol Ctr, Adv Mat Proc Anal Ctr, Orlando, FL 32826 USA.
RP Karakoti, AS (reprint author), Battelle Sci & Technol Pvt Ltd, 302 Panchshil Technol Pk, Pune 411057, Maharashtra, India.
EM Ajay.Karakoti@battelle-india.com
FU Department of Energy's Office of Biological and Environmental Research;
EMSL Intramural program; DOE Office of Science's SULI undergraduate
research program; NSF-NIRT Program
FX The research was performed using EMSL, a national scientific user
facility sponsored by the Department of Energy's Office of Biological
and Environmental Research and located at Pacific Northwest National
Laboratory and supported by the EMSL Intramural program. J. D. Gaynor
was also supported by the DOE Office of Science's SULI undergraduate
research program. Additional support from the NSF-NIRT Program
supplemented this research as well.
NR 34
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U1 3
U2 60
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-750X
J9 J MATER CHEM B
JI J. Mat. Chem. B
PY 2013
VL 1
IS 28
BP 3443
EP 3450
DI 10.1039/c3tb20204f
PG 8
WC Materials Science, Biomaterials
SC Materials Science
GA 171TJ
UT WOS:000320951700002
ER
PT J
AU Wu, T
Tyson, TA
Bai, JM
Pandya, K
Jaye, C
Fischer, D
AF Wu, Tao
Tyson, Trevor A.
Bai, Jianming
Pandya, Kaumudi
Jaye, Cherno
Fischer, Daniel
TI On the origin of enhanced thermoelectricity in Fe doped Ca3Co4O9
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID MISFIT-LAYERED COBALTITE; SINGLE-CRYSTALS; THIN-FILMS;
TRANSPORT-PROPERTIES; BI-SUBSTITUTION; GROWTH; OXIDES
AB Resistivity and Seebeck coefficient measurements on Ca3Co4-xFexO9 (x = 0, 0.05, 0.1, 0.2 and 0.25) reveal enhanced thermoelectric performance with an optimal x value of 0.2. X-ray diffraction measurements show continuous Fe doping into the host lattice, while X-ray absorption experiments reveal that Fe substitutes for Co in the Ca2CoO3 (rock salt) block. The Fe substitution for Co produces electron doping. The local structure around Fe in the Ca2CoO3 block becomes disordered, while the structure in the conducting CoO2 layer becomes more ordered. The structural change in the CoO2 layer plays the key role to enhance the electron transport. The highest ordered structure is achieved at x = 0.2 with the lowest resistivity. Soft X-ray absorption measurements find no Co site spin-state change with Fe doping. Thermoelectric property enhancement associated with doping induced structural change points to a new approach for creating materials with improved ZT in complex oxide systems.
C1 [Wu, Tao; Tyson, Trevor A.] New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA.
[Bai, Jianming] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA.
[Pandya, Kaumudi] Brookhaven Natl Lab, SAIC, Upton, NY 11973 USA.
[Jaye, Cherno; Fischer, Daniel] Natl Inst Stand & Technol, Mat Sci & Engn Lab, Gaithersburg, MD 20899 USA.
RP Tyson, TA (reprint author), New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA.
EM tyson@njit.edu
RI Bai, Jianming/O-5005-2015
FU DOE [DE-FG02-07ER46402]; NSF MRI [DMR-0923032]; U.S. Department of
Energy
FX This work is supported by DOE Grant DE-FG02-07ER46402. The Physical
Properties Measurements System was acquired under NSF MRI Grant
DMR-0923032 (ARRA award). X-ray diffraction and X-ray absorption data
acquisition were performed at Brookhaven National Laboratory's National
Synchrotron Light Source (NSLS) which is funded by the U.S. Department
of Energy. We are indebted to Prof. M. Croft of Rutgers University, for
useful discussion on the structural changes accompanying doping and for
providing the spectra for Fe K-edge XANES standards.
NR 48
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U1 1
U2 61
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7526
J9 J MATER CHEM C
JI J. Mater. Chem. C
PY 2013
VL 1
IS 26
BP 4114
EP 4121
DI 10.1039/c3tc30481g
PG 8
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA 163IX
UT WOS:000320330600007
ER
PT J
AU Lu, HL
Song, SQ
Gu, XF
He, SL
Chen, CL
Song, GB
Cai, ZH
Guo, HM
Gao, HJ
Sun, L
AF Lu, Hongliang
Song, Shuangqi
Gu, Xiaofeng
He, Shuli
Chen, Chonglin
Song, Gangbing
Cai, Zhonghou
Guo, Haiming
Gao, Hongjun
Sun, Li
TI Piezoresponse Force Microscopy Study of Ferroelectric BaTiO3 Thin Film
Directly Deposited on Si(001) by Magnetron Sputtering
SO JOURNAL OF NANO RESEARCH
LA English
DT Article
DE Ferroelectric; Thin Film; BaTiO3; Magnetron Sputtering
ID PULSED-LASER DEPOSITION; OXIDE; SILICON; PHYSICS
AB Direct integration of ferroelectrics with semiconductors is critical to lower the cost and simplify the production procedures for data storage/processing components and miniature sensor/actuator development. By optimizing magnetron sputtering parameters, highly <001> preferential growth of BaTiO3 thin films with reproducible ferroelectric responses have been achieved on Si(001) substrates. The thin film ferroelectric characteristics were systematically studied by piezoresponse force microscopy, and a piezoelectric coefficient d(33) of 24pm/V has been measured. It is found that the scanning tip sidewall angle and cantilever tilt affect the contour and size of polarized area.
C1 [Lu, Hongliang; Song, Shuangqi; Song, Gangbing; Sun, Li] Univ Houston, Dept Mech Engn, Houston, TX 77204 USA.
[Lu, Hongliang; Guo, Haiming; Gao, Hongjun] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China.
[Gu, Xiaofeng] Jiangnan Univ, Dept Elect Engn, Minist Educ, Key Lab Adv Proc Control Light Ind, Wuxi 214122, Peoples R China.
[He, Shuli] Capital Normal Univ, Dept Phys, Beijing 100037, Peoples R China.
[Chen, Chonglin; Sun, Li] Univ Houston, Texas Ctr Superconduct, Houston, TX 77204 USA.
[Chen, Chonglin] Univ Texas San Antonio, Dept Phys & Astron, San Antonio, TX 78249 USA.
[Cai, Zhonghou] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Lu, HL (reprint author), Univ Houston, Dept Mech Engn, Houston, TX 77204 USA.
EM lsun4@uh.edu
RI Gu, Xiaofeng/E-8287-2013
OI Gu, Xiaofeng/0000-0001-8299-6451
FU DOD TATRC award through the Alliance for Nano Health [W81XWH-09-2-0139];
111 Project [B12018]; PAPD of Jiangsu Higher Education Institutions;
U.S. Department of Energy Sciences, Office of Science [W-31-109-ENG-38]
FX Financial support from DOD TATRC award W81XWH-09-2-0139 through the
Alliance for Nano Health is gratefully acknowledged. XFG wants to thank
the 111 Project (B12018) and PAPD of Jiangsu Higher Education
Institutions for support. Use of the Advanced Photon Source is supported
by the U.S. Department of Energy Sciences, Office of Science, under
contract No. W-31-109-ENG-38.
NR 28
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U2 32
PU TRANS TECH PUBLICATIONS LTD
PI STAFA-ZUERICH
PA LAUBISRUTISTR 24, STAFA-ZUERICH, CH-8712, SWITZERLAND
SN 1662-5250
J9 J NANO RES-SW
JI J. Nano Res.
PY 2013
VL 22
BP 23
EP 30
DI 10.4028/www.scientific.net/JNanoR.22.23
PG 8
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Physics, Applied
SC Science & Technology - Other Topics; Materials Science; Physics
GA 165MI
UT WOS:000320487600003
ER
PT J
AU Fang, H
Liang, G
Zhao, L
Wallace, T
Arava, H
Zhang, LL
Ignatov, A
Croft, MC
AF Fang, Hui
Liang, Gan
Zhao, Liang
Wallace, Timothy
Arava, Hanu
Zhang, Lu-Lu
Ignatov, Alexander
Croft, Mark C.
TI Electrochemical Properties of Cathode Material LiFePO4 with Ti
Substitution
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID LITHIUM IRON PHOSPHATE; ALIOVALENT SUBSTITUTIONS; ELECTRODE MATERIALS;
IMPACT; BATTERIES
AB Ti substituted LiFePO4 with nominal composition Li1-4yTiyFePO4 (y = 0, 0.01, 0.02, 0.03, 0.04, and 0.05) cathode materials were prepared by solid-state reaction. The as-prepared samples were characterized by X-ray diffraction, X-ray absorption spectroscopy, cyclic charge-discharge, cyclic voltammograms, and electrochemical impendence spectroscopy. The X-ray diffraction results indicate that the increase of Ti4+ amount leads to the expansion of the LiFePO4 lattice monotonically, but the XAS reveals that small amount of doped Ti can also form TiO2-anatase impurities. At 0.1 C rate, doping of Ti causes a decrease in charge and discharge capacities. However, at higher C rate, the charge/discharge capacities are improved. Li0.96Ti0.01FePO4 exhibits the optimized electrochemical performance. (C) 2013 The Electrochemical Society.
C1 [Fang, Hui; Liang, Gan; Wallace, Timothy; Arava, Hanu] Sam Houston State Univ, Dept Phys, Huntsville, TX 77341 USA.
[Zhao, Liang] Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA.
[Zhang, Lu-Lu] Huazhong Univ Sci & Technol, Sch Mat Sci & Engn, State Key Lab Mat Proc & Die & Mold Technol, Wuhan 430074, Hubei, Peoples R China.
[Ignatov, Alexander; Croft, Mark C.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA.
[Croft, Mark C.] Brookhaven Natl Lab, NSLS, Upton, NY 11973 USA.
RP Fang, H (reprint author), Sam Houston State Univ, Dept Phys, Huntsville, TX 77341 USA.
EM hfang@shsu.edu
FU National Science Foundation [CHE-0718482]; Research Corporation for
Science Advancement; ERG grant from Sam Houston State University
FX This work was supported by National Science Foundation under Grants (No.
CHE-0718482), an award from Research Corporation for Science
Advancement, and an ERG grant from Sam Houston State University
NR 17
TC 6
Z9 6
U1 8
U2 46
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2013
VL 160
IS 5
BP A3148
EP A3152
DI 10.1149/2.024305jes
PG 5
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA 161OI
UT WOS:000320202800025
ER
PT J
AU Kim, Y
Dudney, NJ
Chi, MF
Martha, SK
Nanda, J
Veith, GM
Liang, CD
AF Kim, Yoongu
Dudney, Nancy J.
Chi, Miaofang
Martha, Surendra K.
Nanda, Jagjit
Veith, Gabriel M.
Liang, Chengdu
TI A Perspective on Coatings to Stabilize High-Voltage Cathodes:
LiMn1.5Ni0.5O4 with Sub-Nanometer Lipon Cycled with LiPF6 Electrolyte
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID LITHIUM-ION BATTERIES; ATOMIC LAYER DEPOSITION; SPUTTERED THIN-FILM;
LICOO2 CATHODES; ELECTROCHEMICAL PROPERTIES; LIPF6-BASED ELECTROLYTES;
LINI0.5MN1.5O4 SPINEL; RECHARGEABLE BATTERIES; THERMAL-DECOMPOSITION;
PHOSPHORUS OXYNITRIDE
AB High voltage Li-ion cathodes push the limits of stability for both cathode and electrolyte. Here sub-nanometer coatings of an amorphous thin-film electrolyte (Lipon) improved the room temperature and 60 degrees C cycling stability of a LiMn1.5Ni0.5O4 spinel cathode when charged to 4.9 V with a standard LiPF6 carbonate electrolyte. The cathodes delivered superior C-rate performances up to a 5C discharge, when compared to the uncoated cathodes. Enhanced performance extended for at least 100 cycles. Electrochemical impedance spectroscopy indicates that Lipon slows the increase of interface resistance. Thicker 1-3 nm Lipon coatings are sufficiently insulating as to block electronic transport to the cathode particles. Thick coatings also slow Mn dissolution. Results suggest that Lipon may act to scavenge impurities or block active sites that promote electrolyte decomposition. While greatly improved by the Lipon coating, cycling is not yet sufficiently stable for applications requiring thousands of cycles or prolonged operation at higher temperatures. Further work is needed to assess what surface properties of coatings will ultimately stabilize the high voltage cathodes in carbonate liquid electrolyte cells. Comments include insight from other studies of Lipon-coated cathodes and the focus for future research. (C) 2013 The Electrochemical Society.
C1 [Kim, Yoongu; Dudney, Nancy J.; Chi, Miaofang; Martha, Surendra K.; Nanda, Jagjit; Veith, Gabriel M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Liang, Chengdu] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Kim, Y (reprint author), Infinite Power Solut, Littleton, CO 80127 USA.
EM ygkim90@gmail.com; dudneynj@ornl.gov
RI Chi, Miaofang/Q-2489-2015; Dudney, Nancy/I-6361-2016
OI Chi, Miaofang/0000-0003-0764-1567; Dudney, Nancy/0000-0001-7729-6178
FU Division of Materials Sciences and Engineering, Office of Basic Energy
Sciences, U.S. Department of Energy; Division of Scientific User
Facilities, U.S. Department of Energy
FX Research sponsored by the Division of Materials Sciences and
Engineering, Office of Basic Energy Sciences, U.S. Department of Energy.
This includes fabrication, electrochemistry, and characterization by
YGK, NJD, MFC, GMV. Electron microscopy was conducted at the Shared
Research Equipment (SHaRE) user facility, which is sponsored by the
Division of Scientific User Facilities, U.S. Department of Energy.
Contributions of Raman spectroscopy by SKM and JN and assistance with
cycle tests were supported by the Assistant Secretary for Energy
Efficiency and Renewable Energy, Office Of Vehicle Technologies of the
U.S. Department of Energy. The raw materials were provided by nGimat Co.
(GA, USA) for this research.
NR 83
TC 22
Z9 22
U1 5
U2 148
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2013
VL 160
IS 5
BP A3113
EP A3125
DI 10.1149/2.017305jes
PG 13
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA 161OI
UT WOS:000320202800020
ER
PT J
AU Li, Y
Bettge, M
Polzin, B
Zhu, Y
Balasubramanian, M
Abraham, DP
AF Li, Y.
Bettge, M.
Polzin, B.
Zhu, Y.
Balasubramanian, M.
Abraham, D. P.
TI Understanding Long-Term Cycling Performance of
Li1.2Ni0.15Mn0.55Co0.1O2-Graphite Lithium-Ion Cells
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID X-RAY-ABSORPTION; CATHODE MATERIALS; HIGH-POWER; ELECTRODE MATERIALS;
ELECTROCHEMICAL INTERCALATION; RAMAN-SPECTROSCOPY; LOCAL-STRUCTURE;
ENERGY-STORAGE; HIGH-CAPACITY; OXYGEN LOSS
AB Lithium-ion cells containing lithium and manganese rich layered-oxides (LMR-NMC) have gained significant attention in recent years because of their ability to deliver high energy densities. In this article we report on a comprehensive performance and degradation study of cells, containing Li1.2Ni1.5Mn0.55Co0.1O2 based positive electrodes and graphite based negative electrodes, on extended cycling. In addition to electrochemical measurements on full cells, characterization data on harvested electrodes by techniques that include scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray absorption spectroscopy (XAS), Raman spectroscopy, and secondary ion mass spectrometry (SIMS) are discussed. Our data show that cell capacity fade mainly results from lithium trapping in the solid electrolyte interphase (SEI) of the negative electrode. In addition, cell impedance rise and voltage fade mainly arise at the positive electrode and result from degradation processes in its oxide and carbon constituents. Processes that include the accumulation of transition metal elements at the negative electrode, and increasing misalignment of electrode capacity windows on extended cycling, also have a deleterious effect on cell performance. Identifying sources of performance degradation has enabled strategies to extend cell life, which include improved cell fabrication protocols, positive electrode coatings, and bifunctional electrolyte additives. (C) 2013 The Electrochemical Society.
C1 [Li, Y.; Bettge, M.; Polzin, B.; Zhu, Y.; Balasubramanian, M.; Abraham, D. P.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Li, Y.] Univ Rochester, Rochester, NY 14627 USA.
RP Li, Y (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM abraham@anl.gov
RI Li, Yan/H-2957-2012
OI Li, Yan/0000-0002-9801-7243
FU U.S. Department of Energy's Vehicle Technologies Program; DOE Vehicle
Technologies Program (VTP) within Applied Battery Research (ABR) for
Transportation Program; U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences [DE-AC02-06CH11357]; Argonne, a U.S.
Department of Energy Office of Science laboratory [DE-AC02-06CH11357]
FX Support from the U.S. Department of Energy's Vehicle Technologies
Program, specifically from Peter Faguy and Dave Howell, is gratefully
acknowledged. We are grateful to A. Jansen and S. Trask from the U.S.
Department of Energy's (DOE) Cell Fabrication Facility (CFF), Argonne.
The CFF is fully supported by the DOE Vehicle Technologies Program (VTP)
within the core funding of the Applied Battery Research (ABR) for
Transportation Program. Use of the Advanced Photon Source (APS), and use
of the Center for Nanoscale Materials at Argonne, was supported by the
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, under Contract No. DE-AC02-06CH11357. We are grateful to Matt
Suchomel at APS beam dine 11-BM for help with the high-resolution powder
diffraction experiments, and to Naba Karan for assistance with the X-ray
absorption spectroscopy experiments performed at the APS PNC-XOR bending
magnet beam line 20-BM. A part of this work was carried out at the
Frederick Seitz Materials Research Laboratory Central Facilities,
University of Illinois at Urbana-Champaign (UIUC). We gratefully
acknowledge the assistance and valuable discussions with R. Haasch, T,
Spila, E. Sammann (UIUC), D. Dees, N. Dietz, J. Bareno, and W. Lu
(Argonne). Y. Li is grateful to Prof. James Li at the University of
Rochester for support and encouragement during the course of this-work.;
The submitted manuscript has been created by UChicago Argonne, LLC,
Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S.
Department of Energy Office of Science laboratory, is operated under
Contract No. DE-AC02-06CH11357. The U.S. Government retains for itself,
and others acting on its behalf, a paid-up nonexclusive, irrevocable
worldwide license in said article to reproduce, prepare derivative
works, distribute copies to the public, and perform publicly and display
publicly, by or on behalf of the Government.
NR 52
TC 75
Z9 75
U1 14
U2 138
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2013
VL 160
IS 5
BP A3006
EP A3019
DI 10.1149/2.002305jes
PG 14
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA 161OI
UT WOS:000320202800004
ER
PT J
AU Takeuchi, KJ
Yau, SZ
Subramanian, A
Marschilok, AC
Takeuchi, ES
AF Takeuchi, Kenneth J.
Yau, Shali Z.
Subramanian, Aditya
Marschilok, Amy C.
Takeuchi, Esther S.
TI The Electrochemistry of Silver Hollandite Nanorods, AgxMn8O16:
Enhancement of Electrochemical Battery Performance via Dimensional and
Compositional Control
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID CRYSTALLITE SIZE CONTROL; MANGANESE OXIDE; MAGNETITE; IONS
AB The reflux synthetic approach for silver hollandite, AgxMn8O16, enabled the preparation of pure silver hollandite over a range of silver (x) content, 1.0 <= x <= 1.8. It was demonstrated that the crystallite size increased along with the silver content in the product. This finding led to the ability to synthetically control material properties enabling the systematic exploration. of the electrochemistry of silver hollandite at a variety of crystallite sizes. Results from battery electrochemical testing, including constant current discharge, pulse testing, Galvanostatic Intermittent Titration Type Testing and cycle testing, are reported herein where all tests, demonstrated improved performance of the smaller crystallite materials relative to the larger crystallite materials. Notably, a 5 fold decrease in calculated DC cell resistance and a doubling of the delivered capacity as a result of crystallite size reduction were demonstrated. Overall, these results illustrate an important paradigm in battery electrochemistry, that the electrochemistry of active electrode materials can be positively affected and controlled by variation in crystal size. (C) 2013 The Electrochemical Society.
C1 [Takeuchi, Kenneth J.; Marschilok, Amy C.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
[Yau, Shali Z.] SUNY Buffalo, Dept Chem, Buffalo, NY 14260 USA.
[Subramanian, Aditya] SUNY Buffalo, Dept Chem & Biol Engn, Buffalo, NY 14260 USA.
[Marschilok, Amy C.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA.
[Takeuchi, Esther S.] Brookhaven Natl Lab, Global & Reg Solut Directorate, Upton, NY 11973 USA.
RP Takeuchi, KJ (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
EM kenneth.takeuchi.1@stonybrook.edu; amy.marschilok@stonybrook.edu;
esther.takeuchi@stonybrook.edu
RI Takeuchi, Esther/D-1825-2014; Marschilok, Amy/D-1821-2014
FU Department of Energy, Office of Basic Energy Sciences [DE-SC0008512];
National Institutes of Health from the National Heart, Lung, and Blood
Institute [1R01HL093044-01A1]
FX This work was supported by the Department of Energy, Office of Basic
Energy Sciences, under grant DE-SC0008512. Galvanostatic discharge and
galvanostatic intermittent titration-type (GITT) testing for possible
use as a primary cell was supported by National Institutes of Health
under grant 1R01HL093044-01A1 from the National Heart, Lung, and Blood
Institute.
NR 23
TC 13
Z9 13
U1 4
U2 38
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2013
VL 160
IS 5
BP A3090
EP A3094
DI 10.1149/2.014305jes
PG 5
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA 161OI
UT WOS:000320202800016
ER
PT J
AU Wang, DP
Belharouak, I
Zhou, GW
Amine, K
AF Wang, Dapeng
Belharouak, Ilias
Zhou, Guangwen
Amine, Khalil
TI Synthesis of Lithium and Manganese-Rich Cathode Materials via an Oxalate
Co-Precipitation Method
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID SITU X-RAY; ION BATTERIES; SECONDARY BATTERIES; LOCAL-STRUCTURE;
ELECTRODES; LINI0.5MN0.5O2; DECOMPOSITION; DIFFRACTION; NICKEL; MN
AB The synthesis of Li- and Mn- rich cathode materials with oxalate co-precipitation method was comprehensively investigated. Thermodynamic calculation arid advanced characterizations were conducted to study the effects of reaction pH and precipitation agent on the morphology and composition of the precipitates. It was found that manganese oxalate has a higher solubility compared to nickel oxalate, especially at low reaction pH. In addition, the different capability of Ni2+ and Mn2+ to form transition metal ammonia complexes led to a composition discrepancy in the precipitation. The desired nickel manganese oxalate precursor composition could only be achieved when these factors were considered, and cathode materials synthesized based on this precursor exhibited satisfactory electrochemical performance (about 220 mAh . g(-1) over 70 cycles under C/10 rate). (C) 2013 The Electrochemical Society.
C1 [Wang, Dapeng; Belharouak, Ilias; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Wang, Dapeng; Zhou, Guangwen] SUNY Binghamton, Binghamton, NY 13902 USA.
RP Wang, DP (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM belharouak@anl.gov
RI Amine, Khalil/K-9344-2013;
OI Belharouak, Ilias/0000-0002-3985-0278
FU U.S. Department of Energy; Freedom CAR; Vehicle Technologies Office;
U.S. Department of Energy Office of Science Laboratory by UChicago
Argonne, LLC [DE-AC02-06CH11357]
FX This research was funded by the U.S. Department of Energy, Freedom CAR,
and Vehicle Technologies Office. The electron microscopy was
accomplished at the-Electron Microscopy Center for Materials Research at
Argonne National Laboratory, a U.S. Department of Energy Office of
Science Laboratory operated under Contract No. DE-AC02-06CH11357 by
UChicago Argonne, LLC.
NR 30
TC 11
Z9 11
U1 3
U2 61
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2013
VL 160
IS 5
BP A3108
EP A3112
DI 10.1149/2.016305jes
PG 5
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA 161OI
UT WOS:000320202800019
ER
PT S
AU Sun, JG
AF Sun, J. G.
BE Singh, D
Salem, J
Halbig, M
Mathur, S
TI NONDESTRUCTIVE EVALUATION OF THERMAL BARRIER COATINGS BY OPTICAL AND
THERMAL IMAGING METHODS
SO MECHANICAL PROPERTIES AND PERFORMANCE OF ENGINEERING CERAMICS AND
COMPOSITES VII
SE Ceramic Engineering and Science Proceedings
LA English
DT Proceedings Paper
CT Mechanical Behavior and Performance of Ceramics and Composites Symposium
CY JAN 22-27, 2012
CL Daytona Beach, FL
SP Amer Ceram Soc (ACerS), Amer Ceram Soc (ACerS), Engn Ceram Div (ECD)
AB Thermal barrier coatings (TBCs) are widely used to improve the performance and extend the life of combustor and gas turbine components. As TBCs become prime reliant, it becomes important to determine their conditions nondestructively to assure the reliability of the components. Nondestructive evaluation (NDE) methods may be used to assess TBC condition for quality control as well as to monitor TBC degradation during service. Several NDE methods were developed for these applications, including laser backscatter, mid-IR reflectance (MIRR), and thermal imaging based on a multilayer analysis method. Both laser backscatter and MIRR are optical imaging methods and have been investigated for TBC health monitoring. The thermal imaging method is new and can measure TBCs thermal properties with high accuracy. Because TBC properties change with life, a model for TBC health monitoring based on the property change is proposed. This paper describes these NDE methods and presents preliminary experimental results related to TBC health monitoring.
C1 Argonne Natl Lab, Argonne, IL 60439 USA.
RP Sun, JG (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
NR 15
TC 0
Z9 0
U1 0
U2 3
PU AMER CERAMIC SOC
PI WESTERVILLE
PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA
SN 0196-6219
BN 978-1-118-21746-7; 978-1-118-20588-4
J9 CERAM ENG SCI PROC
PY 2013
BP 27
EP 34
PG 8
WC Materials Science, Ceramics
SC Materials Science
GA BFH88
UT WOS:000319911600004
ER
PT J
AU Parkes, MV
Staiger, CL
Perry, JJ
Allendorf, MD
Greathouse, JA
AF Parkes, Marie V.
Staiger, Chad L.
Perry, John J.
Allendorf, Mark D.
Greathouse, Jeffery A.
TI Screening metal-organic frameworks for selective noble gas adsorption in
air: effect of pore size and framework topology
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID UNITED-ATOM DESCRIPTION; ZEOLITIC-IMIDAZOLATE FRAMEWORKS; CANONICAL
MONTE-CARLO; HIGH H-2 ADSORPTION; MOLECULAR-ORBITAL METHODS;
VAPOR-LIQUID-EQUILIBRIA; TRANSFERABLE POTENTIALS; PHASE-EQUILIBRIA;
CU-BTC; METHANE ADSORPTION
AB The adsorption of noble gases and nitrogen by sixteen metal-organic frameworks (MOFs) was investigated using grand canonical Monte Carlo simulation. The MOFs were chosen to represent a variety of net topologies, pore dimensions, and metal centers. Three commercially available MOFs (HKUST-1, AlMIL-53, and ZIF-8) and PCN-14 were also included for comparison. Experimental adsorption isotherms, obtained from volumetric and gravimetric methods, were used to compare krypton, argon, and nitrogen uptake with the simulation results. Simulated trends in gas adsorption and predicted selectivities among the commercially available MOFs are in good agreement with experiment. In the low pressure regime, the expected trend of increasing adsorption with increasing noble gas polarizabilty is seen. For each noble gas, low pressure adsorption correlates with several MOF properties, including free volume, topology, and metal center. Additionally, a strong correlation exists between the Henry's constant and the isosteric heat of adsorption for all gases and MOFs considered. Finally, we note that the simulated and experimental gas selectivities demonstrated by this small set of MOFs show improved performance compared to similar values reported for zeolites.
C1 [Parkes, Marie V.; Greathouse, Jeffery A.] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA.
[Staiger, Chad L.] Sandia Natl Labs, Mat Devices & Energy Technol Dept, Albuquerque, NM 87185 USA.
[Perry, John J.; Allendorf, Mark D.] Sandia Natl Labs, Energy Nanomat Dept, Livermore, CA 94551 USA.
RP Greathouse, JA (reprint author), Sandia Natl Labs, Dept Geochem, POB 5800, Albuquerque, NM 87185 USA.
EM jagreat@sandia.gov
RI Perry IV, John/C-9155-2011
OI Perry IV, John/0000-0001-9393-5451
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; U.S. Department of Energy
FX We would like to thank Todd Zeitler for calculating pore-limiting
diameters. This work was funded by the U.S. 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 107
TC 36
Z9 37
U1 10
U2 126
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 23
BP 9093
EP 9106
DI 10.1039/c3cp50774b
PG 14
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 148YN
UT WOS:000319285000026
PM 23646358
ER
PT J
AU Nelson, T
Fernandez-Alberti, S
Roitberg, AE
Tretiak, S
AF Nelson, Tammie
Fernandez-Alberti, Sebastian
Roitberg, Adrian E.
Tretiak, Sergei
TI Conformational disorder in energy transfer: beyond Forster theory
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID PHOTOSYNTHETIC PURPLE BACTERIA; CONJUGATED POLYMERS;
TEMPERATURE-DEPENDENCE; EXCITATION TRANSFER; MOLECULAR-DYNAMICS; ANTENNA
SYSTEM; MEH-PPV; LH2; FLUORESCENCE; EXCITONS
AB Energy transfer in donor-acceptor chromophore pairs, where the absorption of each species is well separated while donor emission and acceptor absorption overlap, can be understood through a Forster resonance energy transfer model. The picture is more complex for organic conjugated polymers, where the total absorption spectrum can be described as a sum of the individual contributions from each subunit (chromophore), whose absorption is not well separated. Although excitations in these systems tend to be well localized, traditional donors and acceptors cannot be defined and energy transfer can occur through various pathways where each subunit (chromophore) is capable of playing either role. In addition, fast torsional motions between individual monomers can break conjugation and lead to reordering of excited state energy levels. Fast torsional fluctuations occur on the same timescale as electronic transitions leading to multiple trivial unavoided crossings between excited states during dynamics. We use the non-adiabatic excited state molecular dynamics (NA-ESMD) approach to simulate energy transfer between two poly-phenylene vinylene (PPV) oligomers composed of 3-rings and 4-rings, respectively, separated by varying distances. The change in the spatial localization of the transient electronic transition density, initially localized on the donors, is used to determine the transfer rate. Our analysis shows that evolution of the intramolecular transition density can be decomposed into contributions from multiple transfer pathways. Here we present a detailed analysis of ensemble dynamics as well as a few representative trajectories which demonstrate the intertwined role of electronic and conformational processes. Our study reveals the complex nature of energy transfer in organic conjugated polymer systems and emphasizes the caution that must be taken in performing such an analysis when a single simple unidirectional pathway is unlikely.
C1 [Nelson, Tammie; Tretiak, Sergei] Los Alamos Natl Lab, Div Theoret, Ctr Nonlinear Studies CNLS, Los Alamos, NM 87545 USA.
[Nelson, Tammie; Tretiak, Sergei] Los Alamos Natl Lab, Ctr Integrated Nanotechnol CINT, Los Alamos, NM 87545 USA.
[Fernandez-Alberti, Sebastian] Univ Nacl Quilmes, Bernal, Argentina.
[Roitberg, Adrian E.] Univ Florida, Dept Phys, Quantum Theory Project, Gainesville, FL 32611 USA.
[Roitberg, Adrian E.] Univ Florida, Dept Chem, Quantum Theory Project, Gainesville, FL 32611 USA.
RP Tretiak, S (reprint author), Los Alamos Natl Lab, Div Theoret, Ctr Nonlinear Studies CNLS, Los Alamos, NM 87545 USA.
EM serg@lanl.gov
RI Tretiak, Sergei/B-5556-2009; Roitberg, Adrian/A-2378-2009
OI Tretiak, Sergei/0000-0001-5547-3647;
FU Los Alamos National Laboratory (LANL); CONICET; UNQ; ANPCyT
[PICT-2010-2375]; NSF [CHE-0239120, CHE-0808910]; National Nuclear
Security Administration of the U.S. Department of Energy
[DE-AC52-06NA25396]; Center for Integrated Nanotechnology (CINT); Center
for Nonlinear Studies (CNLS)
FX We acknowledge support of Directed Research and Development Fund at Los
Alamos National Laboratory (LANL). A. E. R. and S. F.-A. acknowledge
support of CONICET, UNQ, ANPCyT (PICT-2010-2375), NSF Grants CHE-0239120
and CHE-0808910. Los Alamos National Laboratory is operated by Los
Alamos National Security, LLC, for the National Nuclear Security
Administration of the U.S. Department of Energy under contract
DE-AC52-06NA25396. We acknowledge support of Center for Integrated
Nanotechnology (CINT) and Center for Nonlinear Studies (CNLS).
NR 69
TC 9
Z9 9
U1 3
U2 50
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 23
BP 9245
EP 9256
DI 10.1039/c3cp50857a
PG 12
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 148YN
UT WOS:000319285000044
PM 23657784
ER
PT J
AU Hensel-Bielowka, S
Sangoro, JR
Wojnarowska, Z
Hawelek, L
Paluch, M
AF Hensel-Bielowka, S.
Sangoro, J. R.
Wojnarowska, Z.
Hawelek, L.
Paluch, M.
TI The behavior and origin of the excess wing in DEET
(N,N-diethyl-3-methylbenzamide)
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID GLASS-FORMING LIQUIDS; SECONDARY RELAXATION; ALPHA-RELAXATION;
DIELECTRIC-SPECTROSCOPY; INTERACTING ARRAYS; BETA-RELAXATION; PRESSURE;
DYNAMICS; FORMERS; TEMPERATURE
AB Broadband dielectric spectroscopy along with a high pressure technique and quantum-mechanical calculations are employed to study in detail the behavior and to reveal the origin of the excess wing (EW) in neat N,N-diethyl-3-methylbenzamide (DEET). Our analysis of dielectric spectra again corroborates the idea that the EW is a hidden beta-relaxation peak. Moreover, we found that the position frequency of the beta peak corresponds to the position of the primitive relaxation of the Coupling Model. We also studied the possible intramolecular rotations in DEET by means of DFT calculation. On that basis we were able to describe the EW as the JG beta-relaxation and find the possible origin of the gamma-relaxation visible in DEET dielectric spectra at very low temperatures.
C1 [Hensel-Bielowka, S.] Univ Silesia, Inst Chem, PL-40006 Katowice, Poland.
[Sangoro, J. R.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37830 USA.
[Wojnarowska, Z.; Hawelek, L.; Paluch, M.] Univ Silesia, Inst Phys, PL-40007 Katowice, Poland.
[Hawelek, L.] Inst Nonferrous Met, PL-44100 Gliwice, Poland.
RP Hensel-Bielowka, S (reprint author), Univ Silesia, Inst Chem, Szkolna 9, PL-40006 Katowice, Poland.
EM stella.hensel-bielowka@us.edu.pl
RI Sangoro, Joshua/A-6573-2011
OI Sangoro, Joshua/0000-0002-5483-9528
FU National Science Centre within the framework of the Maestro2 project
[DEC-2012/04/A/ST3/00337]; FNP START; DOE BES; Alexander von Humboldt
FX The authors M. P. and Z.W. are deeply grateful for the financial support
from the National Science Centre within the framework of the Maestro2
project (Grant No. DEC-2012/04/A/ST3/00337). Z.W. acknowledges financial
assistance from FNP START (2013). JRS acknowledges financial support
from the DOE BES and the Alexander von Humboldt for the Feodor-Lynen
Research Fellowship.
NR 34
TC 3
Z9 3
U1 1
U2 23
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 23
BP 9300
EP 9307
DI 10.1039/c3cp50975c
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 148YN
UT WOS:000319285000051
PM 23660993
ER
PT J
AU Siahrostami, S
Bjorketun, ME
Strasser, P
Greeley, J
Rossmeisl, J
AF Siahrostami, Samira
Bjorketun, Marten E.
Strasser, Peter
Greeley, Jeff
Rossmeisl, Jan
TI Tandem cathode for proton exchange membrane fuel cells
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID OXYGEN REDUCTION REACTION; DENSITY-FUNCTIONAL THEORY; H2O2
ACID-SOLUTIONS; HYDROGEN-PEROXIDE; ELECTROCHEMICAL REDUCTION;
GRAPHITE-ELECTRODES; DIOXYGEN REDUCTION; COBALT PORPHYRINS;
TRANSITION-METALS; CARBON CATHODE
AB The efficiency of proton exchange membrane fuel cells is limited mainly by the oxygen reduction reaction at the cathode. The large cathodic overpotential is caused by correlations between binding energies of reaction intermediates in the reduction of oxygen to water. This work introduces a novel tandem cathode design where the full oxygen reduction, involving four electron-transfer steps, is divided into formation (equilibrium potential 0.70 V) followed by reduction (equilibrium potential 1.76 V) of hydrogen peroxide. The two part reactions contain only two electron-transfer steps and one reaction intermediate each, and they occur on different catalyst surfaces. As a result they can be optimized independently and the fundamental problem associated with the four-electron catalysis is avoided. A combination of density functional theory calculations and published experimental data is used to identify potentially active and selective materials for both catalysts. Co-porphyrin is recommended for the first step, formation of hydrogen peroxide, and three different metal oxides - SrTiO3(100), CaTiO3(100) and WO3(100) - are suggested for the subsequent reduction step.
C1 [Siahrostami, Samira; Bjorketun, Marten E.; Rossmeisl, Jan] Tech Univ Denmark, Dept Phys, CAMD, DK-2800 Lyngby, Denmark.
[Strasser, Peter] Tech Univ Berlin, Div Chem Engn, Dept Chem, D-16123 Berlin, Germany.
[Greeley, Jeff] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
RP Rossmeisl, J (reprint author), Tech Univ Denmark, Dept Phys, CAMD, DK-2800 Lyngby, Denmark.
EM Jan.Rossmeisl@fysik.dtu.dk
RI Rossmeisl, Jan/A-5714-2011; Bjorketun, Marten/L-4396-2013; Strasser,
Peter/A-1868-2012
OI Rossmeisl, Jan/0000-0001-7749-6567;
FU Danish Center for Scientific Computing [HDW-1103-06]; Catalysis for
Sustainable Energy initiative; Danish Ministry of Science, Technology
and Innovation; Danish Council for Strategic Research's Programme
Commission on Strategic Growth-Technologies (NABIIT); center of
excellence in catalysis UNICAT; DFG
FX The authors acknowledge support from the Danish Center for Scientific
Computing through grant HDW-1103-06, from the Catalysis for Sustainable
Energy initiative funded by the Danish Ministry of Science, Technology
and Innovation, and from the Danish Council for Strategic Research's
Programme Commission on Strategic Growth-Technologies (NABIIT). Peter
Strasser acknowledges support from the center of excellence in catalysis
UNICAT funded by DFG and managed by the TU Berlin.
NR 82
TC 8
Z9 8
U1 6
U2 56
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 23
BP 9326
EP 9334
DI 10.1039/c3cp51479j
PG 9
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 148YN
UT WOS:000319285000054
PM 23661187
ER
PT J
AU Ramanathan, M
Shrestha, LK
Mori, T
Ji, QM
Hill, JP
Ariga, K
AF Ramanathan, Muruganathan
Shrestha, Lok Kumar
Mori, Taizo
Ji, Qingmin
Hill, Jonathan P.
Ariga, Katsuhiko
TI Amphiphile nanoarchitectonics: from basic physical chemistry to advanced
applications
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID LANGMUIR-BLODGETT BILAYERS; DENSITY-FUNCTIONAL THEORY; LIQUID-LIQUID
INTERFACE; ENHANCED OIL-RECOVERY; BLACK FOAM FILMS; BY-LAYER FILMS;
HYDROPHOBICALLY ASSOCIATING POLYACRYLAMIDE; MESOPOROUS NANOCOMPARTMENT
FILMS; MOLECULAR-DYNAMICS SIMULATIONS; SURFACTANT ADSORPTION-KINETICS
AB Amphiphiles, either synthetic or natural, are structurally simple molecules with the unprecedented capacity to self-assemble into complex, hierarchical geometries in nanospace. Effective self-assembly processes of amphiphiles are often used to mimic biological systems, such as assembly of lipids and proteins, which has paved a way for bottom-up nanotechnology with bio-like advanced functions. Recent developments in nanostructure formation combine simple processes of assembly with the more advanced concept of nanoarchitectonics. In this perspective, we summarize research on self-assembly of amphiphilic molecules such as lipids, surfactants or block copolymers that are a focus of interest for many colloid, polymer, and materials scientists and which have become increasingly important in emerging nanotechnology and practical applications, latter of which are often accomplished by amphiphile-like polymers. Because the fundamental science of amphiphiles was initially developed for their solution assembly then transferred to assemblies on surfaces as a development of nanotechnological techniques, this perspective attempts to mirror this development by introducing solution systems and progressing to interfacial systems, which are roughly categorized as (i) basic properties of amphiphiles, (ii) self-assembly of amphiphiles in bulk phases, (iii) assembly on static surfaces, (iv) assembly at dynamic interfaces, and (v) advanced topics from simulation to application. This progression also represents the evolution of amphiphile science and technology from simple assemblies to advanced assemblies to nanoarchitectonics.
C1 [Ramanathan, Muruganathan] Oak Ridge Natl Lab, CNMS, Oak Ridge, TN 37831 USA.
[Shrestha, Lok Kumar; Mori, Taizo; Ji, Qingmin; Hill, Jonathan P.; Ariga, Katsuhiko] NIMS, WPI, Res Ctr Mat Nanoarchitecton MANA, Tsukuba, Ibaraki 3050044, Japan.
[Mori, Taizo; Hill, Jonathan P.; Ariga, Katsuhiko] Japan Sci & Technol Agcy JST, Tsukuba, Ibaraki 3050044, Japan.
RP Ramanathan, M (reprint author), Oak Ridge Natl Lab, CNMS, Oak Ridge, TN 37831 USA.
EM nmr@ornl.gov; Lokkumar@nims.go.jp; ARIGA.Katsuhiko@nims.go.jp
RI ARIGA, Katsuhiko/H-2695-2011; Mori, Taizo/N-9374-2016; Shrestha, Lok
Kumar /B-9537-2013;
OI Mori, Taizo/0000-0002-6974-5137; Hill, Jonathan/0000-0002-4229-5842
FU Center for Nanophase Materials Sciences; Scientific User Facilities
Division, Office of Basic Energy Sciences, U.S. Department of Energy;
World Premier International Research Center Initiative (WPI Initiative),
MEXT, Japan; Core Research for Evolutional Science and Technology
(CREST) program of Japan Science and Technology Agency (JST), Japan
FX Partial support from 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 is greatly acknowledged. This work was also partly supported by
World Premier International Research Center Initiative (WPI Initiative),
MEXT, Japan and the Core Research for Evolutional Science and Technology
(CREST) program of Japan Science and Technology Agency (JST), Japan.
NR 407
TC 104
Z9 105
U1 22
U2 186
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 26
BP 10580
EP 10611
DI 10.1039/c3cp50620g
PG 32
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 163FP
UT WOS:000320321600004
PM 23639971
ER
PT J
AU Mudiyanselage, K
An, W
Yang, F
Liu, P
Stacchiola, DJ
AF Mudiyanselage, Kumudu
An, Wei
Yang, Fan
Liu, Ping
Stacchiola, Dario J.
TI Selective molecular adsorption in sub-nanometer cages of a Cu2O surface
oxide
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID GAS SHIFT REACTION; ATOMIC-STRUCTURE; CO ADSORPTION; AB-INITIO; CU(111);
METHANOL; COPPER; OXIDATION; METALS; NANOPARTICLES
AB In this study the identity of diverse adsorption sites on a 5-7 Cu2O/Cu(111) surface oxide structure has been identified. The 5-7 membered rings formed by a topological defect on stoichiometric Cu2O present different electronic structures from the originating hexagonal rings, as shown by combined bias dependent scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. The adsorption of CO as a probe molecule on the 5-7 structure, studied using infrared reflection-absorption spectroscopy (IRRAS), shows the existence of special adsorption sites. By combining experimental and theoretical results, it is determined that CO molecules can be selectively confined inside the 7-membered oxide rings with internal dimensions of similar to 0.85 nm, leading to a marked different adsorbate-substrate interaction than in either clean Cu(111) or Cu2O. The implication of these newly discovered sites on the chemistry of copper for catalytic reactions is discussed.
C1 [Mudiyanselage, Kumudu; An, Wei; Yang, Fan; Liu, Ping; Stacchiola, Dario J.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Stacchiola, DJ (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM djs@bnl.gov
RI Stacchiola, Dario/B-1918-2009; An, Wei/E-9270-2010; Mudiyanselage,
Kumudu/B-2277-2013; YANG, FAN/J-2706-2012
OI Stacchiola, Dario/0000-0001-5494-3205; An, Wei/0000-0002-0760-1357;
Mudiyanselage, Kumudu/0000-0002-3539-632X; YANG, FAN/0000-0002-1406-9717
FU US Department of Energy (Chemical Sciences Division)
[DE-AC02-98CH10886]; Office of Science of the U.S. DOE
[DE-AC02-05CH11231]
FX Work carried out at Brookhaven National Laboratory was supported by the
US Department of Energy (Chemical Sciences Division, DE-AC02-98CH10886).
The DFT calculations were carried out at Center for Functional
Nanomaterials at Brookhaven National Laboratory and National Energy
Research Scientific Computing (NERSC) Center, which is supported by the
Office of Science of the U.S. DOE under Contract No. DE-AC02-05CH11231.
NR 41
TC 12
Z9 12
U1 5
U2 81
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 26
BP 10726
EP 10731
DI 10.1039/c3cp50522g
PG 6
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 163FP
UT WOS:000320321600017
PM 23685717
ER
PT J
AU Mamontov, E
Ohl, M
AF Mamontov, E.
Ohl, M.
TI Slow dynamics of water molecules in an aqueous solution of lithium
chloride probed by neutron spin-echo
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID GLASS-FORMING LIQUIDS; LENNARD-JONES MIXTURE; MODE-COUPLING THEORY;
DIELECTRIC-RELAXATION; SUPERCOOLED LIQUIDS; SILICA MATRICES; SCATTERING;
CROSSOVER; TRANSITION; SPECTROSCOPY
AB Aqueous solutions of lithium chloride are uniquely similar to pure water in the parameters such as glass transition temperature, T-g, yet they could be supercooled without freezing down to below 200 K even in the bulk state. This provides advantageous opportunity to study low-temperature dynamics of water molecules in water-like environment in the bulk rather than nano-confined state. Using high-resolution neutron spin-echo data, we argue that the critical temperature, T-c, which is also common between lithium chloride aqueous solutions and pure water, is associated with the split of a secondary relaxation from the main structural relaxation on cooling down. Our results do not allow distinguishing between a well-defined separate secondary relaxation process and the "excess wing" scenario, in which the temperature dependence of the secondary relaxation follows the main relaxation. Importantly, however, in either of these scenarios the secondary relaxation is associated with density-density fluctuations, measurable in a neutron scattering experiment. Neutron scattering could be the only experimental technique with the capability of providing information on the spatial characteristics of the secondary relaxation through the dependence of the signal on the scattering momentum transfer. We propose a simple method for such analysis.
C1 [Mamontov, E.] Oak Ridge Natl Lab, Neutron Sci Directorate, Oak Ridge, TN 37831 USA.
[Ohl, M.] Oak Ridge Natl Lab, Julich Ctr Neutron Sci, Outstn Spallat Neutron Source, Oak Ridge, TN 37831 USA.
RP Mamontov, E (reprint author), Oak Ridge Natl Lab, Neutron Sci Directorate, Oak Ridge, TN 37831 USA.
EM mamontove@ornl.gov; m.ohl@fz-juelich.de
RI Mamontov, Eugene/Q-1003-2015
OI Mamontov, Eugene/0000-0002-5684-2675
FU Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy (DOE); U.S. DOE [DE-AC05-00OR22725]
FX The neutron scattering experiments at Oak Ridge National Laboratory's
(ORNL) Spallation Neutron Source were supported by the Scientific User
Facilities Division, Office of Basic Energy Sciences, U.S. Department of
Energy (DOE). ORNL is managed by UTBattelle, LLC, for the U.S. DOE under
Contract No. DE-AC05-00OR22725.
NR 53
TC 5
Z9 5
U1 2
U2 35
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 26
BP 10732
EP 10739
DI 10.1039/c3cp51355f
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 163FP
UT WOS:000320321600018
PM 23689686
ER
PT J
AU Zador, J
Huang, HF
Welz, O
Zetterberg, J
Osborn, DL
Taatjes, CA
AF Zador, Judit
Huang, Haifeng
Welz, Oliver
Zetterberg, Johan
Osborn, David L.
Taatjes, Craig A.
TI Directly measuring reaction kinetics of (center dot)QOOH - a crucial but
elusive intermediate in hydrocarbon autoignition
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID PHOTOIONIZATION MASS-SPECTROMETRY; SET MODEL CHEMISTRY; ALKYL PLUS O-2;
ELEMENTARY REACTIONS; PRODUCT FORMATION; UNIMOLECULAR REACTIONS;
COMBUSTION CHEMISTRY; MASTER EQUATION; RADICALS; MOLECULES
AB Hydrocarbon autoignition has long been an area of intense fundamental chemical interest, and is a key technological process for emerging clean and efficient combustion strategies. Carbon-centered radicals containing an -OOH group, commonly denoted (center dot)QOOH radicals, are produced by isomerization of the alkylperoxy radicals that are formed in the first stages of oxidation. These (center dot)QOOH radicals are among the most critical species for modeling autoignition, as their reactions with O-2 are responsible for chain branching below 1000 K. Despite their importance, no (center dot)QOOH radicals have ever been observed by any means, and only computational and indirect experimental evidence has been available on their reactivity. Here, we directly produce a (center dot)QOOH radical, 2-hydroperoxy-2-methylprop-1-yl, and experimentally determine rate coefficients for its unimolecular decomposition and its association reaction with O-2. The results are supported by high-level theoretical kinetics calculations. Our experimental strategy opens up a new avenue to study the chemistry of (center dot)QOOH radicals in isolation.
C1 [Zador, Judit; Huang, Haifeng; Welz, Oliver; Zetterberg, Johan; Osborn, David L.; Taatjes, Craig A.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
[Zetterberg, Johan] Lund Univ, Dept Phys, SE-22100 Lund, Sweden.
RP Zador, J (reprint author), Sandia Natl Labs, Combust Res Facil, Mail Stop 9055, Livermore, CA 94551 USA.
EM jzador@sandia.gov; cataatj@sandia.gov
RI Zetterberg, Johan/C-6963-2008; Welz, Oliver/C-1165-2013; Zador,
Judit/A-7613-2008
OI Zetterberg, Johan/0000-0002-0882-1482; Welz, Oliver/0000-0003-1978-2412;
Zador, Judit/0000-0002-9123-8238
FU Division of Chemical Sciences, Geosciences, and Biosciences, the Office
of Basic Energy Sciences, the U.S. Department of Energy under DOE
[DE-AC04-94AL85000]; Lawrence Berkeley National Laboratory
[DE-AC02-05CH11231]; U.S. DOE [DE-AC02-05CH11231]; Center for Combustion
Science and Technology, CECOST
FX This work was supported by the Division of Chemical Sciences,
Geosciences, and Biosciences, the Office of Basic Energy Sciences, the
U.S. Department of Energy under DOE Contract Number DE-AC04-94AL85000.
Sandia is a multiprogram laboratory operated by Sandia Corporation, a
Lockheed Martin Company, for the National Nuclear Security
Administration. The Advanced Light Source is supported by the Director,
Office of Science, Office of Basic Energy Sciences, of the U.S. DOE,
also under contract DE-AC02-05CH11231 between Lawrence Berkeley National
Laboratory and the U.S. DOE. J. Zetterberg was supported by The Center
for Combustion Science and Technology, CECOST. J. Zador thanks Dr C.
Franklin Goldsmith for providing information on the propyl-QOOH +
O2 systems, while O. Welz thanks Dr Wayne Lukens for taking
1H-NMR spectrum of the TBHP sample.
NR 41
TC 21
Z9 21
U1 9
U2 98
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 26
BP 10753
EP 10760
DI 10.1039/c3cp51185e
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 163FP
UT WOS:000320321600021
PM 23689671
ER
PT J
AU Gu, HB
Guo, J
Wei, HG
Huang, YD
Zhao, CY
Li, Y
Wu, QL
Haldolaarachchige, N
Young, DP
Wei, SY
Guo, ZH
AF Gu, Hongbo
Guo, Jiang
Wei, Huige
Huang, Yudong
Zhao, Cunyu
Li, Ying
Wu, Qingliu
Haldolaarachchige, Neel
Young, David P.
Wei, Suying
Guo, Zhanhu
TI Giant magnetoresistance in non-magnetic phosphoric acid doped
polyaniline silicon nanocomposites with higher magnetic field sensing
sensitivity
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID LITHIUM-ION BATTERIES; ELECTRICAL-PROPERTIES; CONJUGATED POLYMERS;
OPTICAL-PROPERTIES; CONDUCTING POLYANILINE; NEGATIVE PERMITTIVITY; OXIDE
NANOCOMPOSITES; TRANSPORT; COMPOSITE; FILMS
AB Phosphoric acid doped conductive polyaniline (PANI) polymer nanocomposites (PNCs) reinforced with silicon nanopowders have been successfully synthesized using a facile surface initiated polymerization (SIP) method. The chemical structures of the nanocomposites are characterized using Fourier transform infrared (FT-IR) spectroscopy. The enhanced thermal stability of the silicon-PANI PNCs compared with pure PANI is obtained using thermogravimetric analysis (TGA). The obtained optical band gap of the PNCs using Ultraviolet-visible diffuse reflectance spectroscopy (UV-vis DRS) decreases with increasing silicon loading. The dielectric properties of the PNCs are strongly related to the silicon loading level. Temperature dependent resistivity analysis reveals a quasi 3-D variable range hopping (VRH) electrical conduction mechanism for the synthesized PNCs. Room temperature giant magnetoresistance (GMR) is observed in the synthesized non-magnetic nanocomposites and analyzed using the wave-function shrinkage model.
C1 [Gu, Hongbo; Guo, Jiang; Wei, Huige; Guo, Zhanhu] Lamar Univ, Dan F Smith Dept Chem Engn, ICL, Beaumont, TX 77710 USA.
[Gu, Hongbo; Huang, Yudong] Harbin Inst Technol, Sch Chem Engn & Technol, Harbin 150001, Heilongjiang, Peoples R China.
[Wei, Huige; Wei, Suying] Lamar Univ, Dept Chem & Biochem, Beaumont, TX 77710 USA.
[Zhao, Cunyu; Li, Ying] Univ Wisconsin, Dept Mech Engn, Milwaukee, WI 53211 USA.
[Wu, Qingliu] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Haldolaarachchige, Neel; Young, David P.] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA.
RP Wei, SY (reprint author), Lamar Univ, Dept Chem & Biochem, Beaumont, TX 77710 USA.
EM suying.wei@lamar.edu; zhanhu.guo@lamar.edu
RI wu, qingliu /C-7631-2012; Li, Ying/B-1830-2010; Haldolaarachchige,
Neel/E-3773-2010; Wei, Huige/N-2316-2014; Zhao, Cunyu/E-9417-2015; Guo,
Jiang /Q-7163-2016;
OI Li, Ying/0000-0002-6775-5649; Haldolaarachchige,
Neel/0000-0002-4681-4144; Wei, Huige/0000-0002-7046-798X; Guo,
Zhanhu/0000-0003-0134-0210
FU Lamar University; National Science Foundation Nanoscale
Interdisciplinary Research Team, and Materials Processing and
Manufacturing [CMMI 10-30755]; NSF [DMR 10-05764]; China Scholarship
Council (CSC)
FX This project is supported by the Research Enhancement Grant of Lamar
University. The support from the National Science Foundation Nanoscale
Interdisciplinary Research Team, and Materials Processing and
Manufacturing (CMMI 10-30755) is kindly acknowledged. D. P. Young
acknowledges support from the NSF under Grant No. DMR 10-05764. H. Gu
acknowledges the support from China Scholarship Council (CSC) program.
NR 81
TC 20
Z9 21
U1 2
U2 39
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 26
BP 10866
EP 10875
DI 10.1039/c3cp50698c
PG 10
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 163FP
UT WOS:000320321600034
PM 23698645
ER
PT J
AU Baggetto, L
Jumas, JC
Gorka, J
Bridges, CA
Veith, GM
AF Baggetto, Loic
Jumas, Jean-Claude
Gorka, Joanna
Bridges, Craig A.
Veith, Gabriel M.
TI Predictions of particle size and lattice diffusion pathway requirements
for sodium-ion anodes using eta-Cu6Sn5 thin films as a model system
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID X-RAY-DIFFRACTION; ELECTROCHEMICAL REACTION; LITHIUM BATTERIES; TIN
ANODES; ELECTRODES; CU6SN5; LI; ETA'-CU6SN5; CAPACITY; SN
AB Geometrically well-defined Cu6Sn5 thin films were used as a model system to estimate the diffusion depth and diffusion pathway requirements of Na ions in alloy anodes. Cu6Sn5 anodes have an initial reversible capacity towards Li of 545 mA h g(-1) (Li3.96Sn or 19.8 Li/Cu6Sn5), close to the theoretical 586 mA h g(-1) (Li4.26Sn), and a very low initial irreversible capacity of 1.6 Li/Cu6Sn5 (Li0.32Sn). In contrast, the reaction with Na is limited with a reversible capacity of 160 mA h g(-1) compared to the expected 516 mA h g(-1) (Na3.75Sn). X-ray diffraction and Sn-119-Mossbauer spectroscopy measurements show that this limited capacity likely results from the restricted diffusion of Na into the anode nanoparticles and not the formation of a low Na-content phase. Moreover, our results suggest that the Z-Cu6Sn5 alloy should have optimized particle sizes of nearly 10 nm diameter to increase the Na capacity significantly. An alternative system consisting of a two-phase mixture of Cu6Sn5 and Sn of nominal composition 'Cu6Sn10' has been studied and is able to deliver a larger initial reversible storage capacity of up to 400 mA h g(-1). Finally, we have demonstrated that the presence of Cu in Cu6Sn5 and 'Cu6Sn10' suppresses the anomalous electrolyte decomposition normally observed for pure Sn.
C1 [Baggetto, Loic; Veith, Gabriel M.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Jumas, Jean-Claude] Univ Montpellier 2, Inst Charles Gerhardt, F-34095 Montpellier 5, France.
[Gorka, Joanna; Bridges, Craig A.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
RP Baggetto, L (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
EM baggettol@ornl.gov; veithgm@ornl.gov
RI Baggetto, Loic/D-5542-2017
OI Baggetto, Loic/0000-0002-9029-2363
FU U.S. Department of Energy (DOE), Basic Energy Sciences (BES), Materials
Sciences and Engineering Division; ORNL's Shared Research Equipment
(ShaRE) User Program (Microscopy); DOE-BES; Region Languedoc-Roussillon
(France)
FX This work was supported by the U.S. Department of Energy (DOE), Basic
Energy Sciences (BES), Materials Sciences and Engineering Division.
Research supported by ORNL's Shared Research Equipment (ShaRE) User
Program (Microscopy) is sponsored by DOE-BES. JCJ gratefully
acknowledges Region Languedoc-Roussillon (France) for the financial
support to the "X-rays and gamma-rays platform'' of Universite
Montpellier II in relation with Mossbauer spectroscopy experiments.
NR 25
TC 23
Z9 24
U1 2
U2 69
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 26
BP 10885
EP 10894
DI 10.1039/c3cp51657a
PG 10
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 163FP
UT WOS:000320321600036
PM 23698702
ER
PT J
AU Zhou, XW
Jones, RE
Duda, JC
Hopkins, PE
AF Zhou, X. W.
Jones, R. E.
Duda, J. C.
Hopkins, P. E.
TI Molecular dynamics studies of material property effects on thermal
boundary conductance
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID ELASTIC-CONSTANTS; TRANSPORT; RESISTANCE; SIMULATION; ORDER;
CONDUCTIVITY; TEMPERATURE; INTERFACES; ALUMINUM; NITROGEN
AB Thermal boundary resistance (inverse of conductance) between different material layers can dominate the overall thermal resistance in nanostructures and therefore impact the performance of the thermal property limiting nano devices. Because relationships between material properties and thermal boundary conductance have not been fully understood, optimum devices cannot be developed through a rational selection of materials. Here we develop generic interatomic potentials to enable material properties to be continuously varied in extremely large molecular dynamics simulations to explore the dependence of thermal boundary conductance on the characteristic properties of materials such as atomic mass, stiffness, and interfacial crystallography. To ensure that our study is not biased to a particular model, we employ different types of interatomic potentials. In particular, both a Stillinger-Weber potential and a hybrid embedded-atom-method + Stillinger-Weber potential are used to study metal-on-semiconductor compound interfaces, and the results are analyzed considering previous work based upon a Lennard-Jones (LJ) potential. These studies, therefore, reliably provide new understanding of interfacial transport phenomena particularly in terms of effects of material properties on thermal boundary conductance. Our most important finding is that thermal boundary conductance increases with the overlap of the vibrational spectra between metal modes and the acoustic modes of the semiconductor compound, and increasing the metal stiffness causes a continuous shift of the metal modes. As a result, the maximum thermal boundary conductance occurs at an intermediate metal stiffness (best matched to the semiconductor stiffness) that maximizes the overlap of the vibrational modes.
C1 [Zhou, X. W.; Jones, R. E.] Sandia Natl Labs, Mech Mat Dept, Livermore, CA 94550 USA.
[Duda, J. C.; Hopkins, P. E.] Univ Virginia, Dept Mech & Aerosp Engn, Charlottesville, VA 22904 USA.
RP Zhou, XW (reprint author), Sandia Natl Labs, Mech Mat Dept, Livermore, CA 94550 USA.
EM xzhou@sandia.gov
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; NSF [CBET 1134311]
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. This work was
performed under a Laboratory Directed Research and Development (LDRD)
project. PEH is also appreciative for funding from NSF Grant number CBET
1134311.
NR 62
TC 12
Z9 12
U1 2
U2 37
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 26
BP 11078
EP 11087
DI 10.1039/c3cp51131f
PG 10
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 163FP
UT WOS:000320321600057
PM 23715116
ER
PT J
AU Carroll, KJ
Qian, D
Fell, C
Calvin, S
Veith, GM
Chi, MF
Baggetto, L
Meng, YS
AF Carroll, Kyler J.
Qian, Danna
Fell, Chris
Calvin, Scott
Veith, Gabriel M.
Chi, Miaofang
Baggetto, Loic
Meng, Ying Shirley
TI Probing the electrode/electrolyte interface in the lithium excess
layered oxide Li1.2Ni0.2Mn0.6O2
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID SITU X-RAY; ABSORPTION FINE-STRUCTURE; LI-ION BATTERIES;
MULTIPLE-SCATTERING CALCULATIONS; NICKEL MANGANESE OXIDES; CATHODE
MATERIALS; SURFACE-CHEMISTRY; HIGH-VOLTAGE; ELECTROCHEMICAL PERFORMANCE;
SECONDARY BATTERIES
AB A detailed surface investigation of the lithium-excess nickel manganese layered oxide Li1.2Ni0.2Mn0.6O2 structure was carried out using X-ray photoelectron spectroscopy (XPS), total electron yield and transmission X-ray absorption spectroscopy (XAS), and electron energy loss spectroscopy (EELS) during the first two electrochemical cycles. All spectroscopy techniques consistently showed the presence of Mn4+ in the pristine material and a surprising reduction of Mn at the voltage plateau during the first charge. The Mn reduction is accompanied by the oxygen loss revealed using EELS. Upon the first discharge, the Mn at the surface never fully recovers back to Mn4+. The electrode/electrolyte interface of this compound consists of the reduced Mn at the crystalline defect-spinel inner layer and an oxidized Mn species simultaneously with the presence of a superoxide species in the amorphous outer layer. This proposed model signifies that oxygen vacancy formation and lithium removal result in electrolyte decomposition and superoxide formation, leading to Mn activation/dissolution and surface layer-spinel phase transformation. The results also indicate that the role of oxygen is complex and significant in contributing to the extra capacity of this class of high energy density cathode materials.
C1 [Carroll, Kyler J.; Qian, Danna; Meng, Ying Shirley] Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92037 USA.
[Fell, Chris] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA.
[Calvin, Scott] Sarah Lawrence Coll, Dept Phys, Bronxville, NY 10708 USA.
[Veith, Gabriel M.; Chi, Miaofang; Baggetto, Loic] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN USA.
RP Meng, YS (reprint author), Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92037 USA.
EM shirleymeng@ucsd.edu
RI Meng, Shirley /I-1276-2013; Qian, Danna/H-6580-2015; Chi,
Miaofang/Q-2489-2015; Baggetto, Loic/D-5542-2017
OI Chi, Miaofang/0000-0003-0764-1567; Baggetto, Loic/0000-0002-9029-2363
FU Office of Vehicle Technologies of the U.S. Department of Energy
[DE-AC02-05CH11231, 7056412]; U.S. Department of Energy's Office of
Basic Energy Science, Division of Materials Sciences and Engineering
under UT-Battelle, LLC; U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences [DE-AC02-98CH10886]; Florida Energy
System Consortium through University of Florida [80859]; Office of Basic
Energy Sciences, U.S. Department of Energy
FX YSM, KJC, and DQ acknowledge the support from 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. 7056412 under the Batteries for
Advanced Transportation Technologies (BATT) Program. GMV and LB
acknowledge the support from the U.S. Department of Energy's Office of
Basic Energy Science, Division of Materials Sciences and Engineering,
under contract with UT-Battelle, LLC. KJC and SC acknowledge the use of
the National Synchrotron Light Source, Brookhaven National Laboratory,
supported by the U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences, under contract no. DE-AC02-98CH10886. CRF
acknowledges the financial support from Florida Energy System Consortium
through University of Florida under Award Number 80859. We would like to
thank Dr Nancy Dudney for invaluable discussions. DQ thanks Dr Huolin
Xin for providing the scripts for Mn oxidation state analysis. a-S/TEM
and EELS analysis were carried out at the ORNL Shared Research Equipment
(SHaRE) User Facility, which is sponsored by the Office of Basic Energy
Sciences, U.S. Department of Energy.
NR 65
TC 41
Z9 42
U1 6
U2 115
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 26
BP 11128
EP 11138
DI 10.1039/c3cp51927a
PG 11
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 163FP
UT WOS:000320321600063
PM 23722534
ER
PT S
AU Emiliani, F
Guber, K
Kopecky, S
Lampoudis, C
Massimi, C
Schillebeeckx, P
Volev, K
AF Emiliani, F.
Guber, K.
Kopecky, S.
Lampoudis, C.
Massimi, C.
Schillebeeckx, P.
Volev, K.
BE Serot, O
DeSaintJean, C
Litaize, O
Noguere, G
TI Evaluation of stable tungsten isotopes in the resolved resonance region
SO WONDER-2012 - 3RD INTERNATIONAL WORKSHOP ON NUCLEAR DATA EVALUATION FOR
REACTOR APPLICATIONS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 3rd International Workshop on Nuclear Data Evaluation for Reactor
Applications (WONDER)
CY SEP 25-28, 2012
CL Aix en Provence, FRANCE
AB In the last decade benchmark experiments and simulations, together with newly obtained neutron cross section data, have pointed out deficiencies in evaluated data files of W isotopes. The role of W as a fundamental structural material in different nuclear applications fully justifies a new evaluation of W-182,W- 183,W- 184,W- 186 neutron resonance parameters. In this regard transmission and capture cross section measurements on natural and enriched tungsten samples were performed at the GELINA facility of the EC-JRC-IRMM. A resonance parameter file used as input in the resonance shape analysis was prepared based on the available literature and adjusted in first instance to transmission data.
C1 [Emiliani, F.; Kopecky, S.; Lampoudis, C.; Schillebeeckx, P.; Volev, K.] European Commiss, Joint Res Ctr, IRMM, Retieseweg 111, B-2440 Geel, Belgium.
[Guber, K.] Oak Ridge Natl Lab, Oak Ridge, TN 37381 USA.
[Massimi, C.] Univ Bologna, Sezione INFN Bologna, Dept Phys, I-40126 Bologna, Italy.
[Volev, K.] Inst Nucl Res & Nucl Energy INRNE, Sofia, Bulgaria.
RP Emiliani, F (reprint author), European Commiss, Joint Res Ctr, IRMM, Retieseweg 111, B-2440 Geel, Belgium.
RI Massimi, Cristian/B-2401-2015; Massimi, Cristian/K-2008-2015
OI Massimi, Cristian/0000-0001-9792-3722; Massimi,
Cristian/0000-0003-2499-5586
FU European Commission through the projects EUFRAT [FP7-211499]; ERINDA
[FP7-269499]
FX This work was partly supported by the European Commission through the
projects EUFRAT (FP7-211499 and ERINDA (FP7-269499).
NR 10
TC 0
Z9 0
U1 0
U2 2
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0961-5
J9 EPJ WEB CONF
PY 2013
VL 42
AR UNSP 02002
DI 10.1051/epjconf/20134202002
PG 5
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA BFM55
UT WOS:000320553300009
ER
PT S
AU Noguere, G
Bouland, O
Bernard, D
Leconte, P
Blaise, P
Peneliau, Y
Vidal, JF
De Saint Jean, C
Leal, L
Schilleebeeckx, P
Kopecky, S
Lampoudis, C
AF Noguere, G.
Bouland, O.
Bernard, D.
Leconte, P.
Blaise, P.
Peneliau, Y.
Vidal, J. F.
De Saint Jean, C.
Leal, L.
Schilleebeeckx, P.
Kopecky, S.
Lampoudis, C.
BE Serot, O
DeSaintJean, C
Litaize, O
Noguere, G
TI Improved MOX fuel calculations using new Pu-239, Am-241 and Pu-240
evaluations
SO WONDER-2012 - 3RD INTERNATIONAL WORKSHOP ON NUCLEAR DATA EVALUATION FOR
REACTOR APPLICATIONS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 3rd International Workshop on Nuclear Data Evaluation for Reactor
Applications (WONDER)
CY SEP 25-28, 2012
CL Aix en Provence, FRANCE
AB Several studies based on the JEFF-3.1.1 nuclear data library show a systematic overestimation of the critical keff for core configurations of MOX fuel assemblies. The present work investigates possible improvements of the C/E results by using new evaluations for Am-241, Pu-239 and Pu-240.
C1 [Noguere, G.; Bouland, O.; Bernard, D.; Leconte, P.; Blaise, P.; Peneliau, Y.; Vidal, J. F.; De Saint Jean, C.] CEA, DEN, Cadarache, F-13108 St Paul Les Durance, France.
[Leal, L.] Oak Ridge Natl Lab, Oak Ridge, TN 37381 USA.
[Schilleebeeckx, P.; Kopecky, S.; Lampoudis, C.] IRMM, JRC EC, B-2440 Geel, Belgium.
RP Noguere, G (reprint author), CEA, DEN, Cadarache, F-13108 St Paul Les Durance, France.
RI De Saint Jean, Cyrille/E-8853-2011
NR 0
TC 0
Z9 0
U1 1
U2 4
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0961-5
J9 EPJ WEB CONF
PY 2013
VL 42
AR UNSP 05005
DI 10.1051/epjconf/20134205005
PG 5
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA BFM55
UT WOS:000320553300023
ER
PT S
AU Polyanskiy, MN
Babzien, M
Pogorelsky, I
Yakimenko, V
AF Polyanskiy, Mikhail N.
Babzien, Marcus
Pogorelsky, Igor
Yakimenko, Vitaly
BE Allakhverdiev, KR
TI Ultrashort-pulse CO2 lasers: Ready for the race to petawatt?
SO XIX INTERNATIONAL SYMPOSIUM ON HIGH-POWER LASER SYSTEMS AND APPLICATIONS
2012
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT 19th International Symposium on High-Power Laser Systems and
Applications (HPLS&A)
CY SEP 10-14, 2012
CL Istanbul, TURKEY
SP TUBITAK Marmara Arastirma Merkezi, European Off Aerosp Res & Dev (EOARD), OSA, Quantel, Global Analitik, Mateck GmbH, Optomek, EZAN, Laser Syst, Edinburgh Photon, Opt m, Sci Res, Star Alliance, SPIE, AF Off Sci Res, USAF Res Lab
DE CO2 laser; ultrashort pulses; terawatt CO2 laser; petawatt lasers
ID AMPLIFICATION
AB We present an overview of recent progress in ultrahigh-peak-power CO2 laser systems and discuss a roadmap for further development.
C1 [Polyanskiy, Mikhail N.; Babzien, Marcus; Pogorelsky, Igor; Yakimenko, Vitaly] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Polyanskiy, MN (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM polyanskiy@bnl.gov
RI Polyanskiy, Mikhail/E-8406-2010
NR 6
TC 1
Z9 1
U1 0
U2 10
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9455-9
J9 PROC SPIE
PY 2013
VL 8677
AR UNSP 86770G
DI 10.1117/12.2013389
PG 6
WC Optics; Physics, Applied
SC Optics; Physics
GA BFH40
UT WOS:000319867800016
ER
PT S
AU Tanaka, T
Miyabara, M
Saito, K
Guo, QX
Nishio, M
Yu, KM
Walukiewicz, W
AF Tanaka, Tooru
Miyabara, Masaki
Saito, Katsuhiko
Guo, Qixin
Nishio, Mitsuhiro
Yu, Kin M.
Walukiewicz, Wladek
BE Zhu, S
Ni, B
Ju, DY
TI Development of ZnTe-based solar cells
SO ADVANCED MATERIALS SCIENCE AND TECHNOLOGY, (IFAMST-8)
SE Materials Science Forum
LA English
DT Proceedings Paper
CT 8th International Forum on Advanced Materials Science and Technology
(IFAMST-8)
CY AUG 01-04, 2012
CL Fukuoka Inst Technol, Fukuoka City, JAPAN
SP Saitama Inst Technol, Chinese Mat Res Soc Japan, Chinese Acad & Profess Assoc Japan
HO Fukuoka Inst Technol
DE ZnTe; homojunction; heterojunction; solar cell
ID EFFICIENCY
AB ZnTe solar cells with homojunction and heterojunction structures have been developed. Homojunction was fabricated by thermal diffusion of Al into p-ZnTe, and the effect of the diffusion temperature on the photovoltaic (PV) properties was investigated. The highest efficiency was obtained by lowering the diffusion temperature and using p-ZnTe substrate with a low hole concentration. For the heterojunction solar cell, n-ZnO/i-ZnTe/p-ZnTe structure was fabricated, and PV properties were characterized.
C1 [Tanaka, Tooru; Miyabara, Masaki; Saito, Katsuhiko; Guo, Qixin; Nishio, Mitsuhiro] Saga Univ, Dept Elect & Elect Engn, Saga 8408502, Japan.
[Tanaka, Tooru] Japan Sci & Technol Agcy JST, PRESTO, Saitama 3320012, Japan.
[Yu, Kin M.; Walukiewicz, Wladek] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Tanaka, T (reprint author), Saga Univ, Dept Elect & Elect Engn, Saga 8408502, Japan.
EM ttanaka@cc.saga-u.ac.jp
OI Tanaka, Tooru/0000-0001-5747-1717; Yu, Kin Man/0000-0003-1350-9642
FU JSPS KAKENHI [24760258]; Nippon Sheet Glass Foundation for Materials
Science and Engineering
FX This work is partially supported by the JST PRESTO program, JSPS KAKENHI
Grant Number 24760258, and Nippon Sheet Glass Foundation for Materials
Science and Engineering.
NR 11
TC 3
Z9 3
U1 0
U2 8
PU TRANS TECH PUBLICATIONS LTD
PI DURNTEN-ZURICH
PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND
SN 0255-5476
J9 MATER SCI FORUM
PY 2013
VL 750
BP 80
EP +
DI 10.4028/www.scientific.net/MSF.750.80
PG 2
WC Materials Science, Multidisciplinary
SC Materials Science
GA BFD20
UT WOS:000319235900020
ER
PT J
AU Miliordos, E
Ruedenberg, K
Xantheas, SS
AF Miliordos, Evangelos
Ruedenberg, Klaus
Xantheas, Sotiris S.
TI Unusual Inorganic Biradicals: A Theoretical Analysis
SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
LA English
DT Article
DE biradical character; Criegee biradicals; ozone; singlet-triplet
splitting; unpaired electrons
ID POTENTIAL-ENERGY SURFACES; CONFIGURATION-INTERACTION; EXCITED-STATES;
BASIS-SETS; TRIMETHYLENEMETHANE; OZONE; ORBITALS; O-3
C1 [Miliordos, Evangelos; Xantheas, Sotiris S.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
[Ruedenberg, Klaus] Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
[Ruedenberg, Klaus] Iowa State Univ, Ames Lab USDOE, Ames, IA 50011 USA.
RP Xantheas, SS (reprint author), Pacific NW Natl Lab, Div Phys Sci, 902 Battelle Blvd,POB 999,MS K1-83, Richland, WA 99352 USA.
EM sotiris.xantheas@pnnl.gov
RI Xantheas, Sotiris/L-1239-2015;
OI Xantheas, Sotiris/0000-0002-6303-1037
FU US Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences & Biosciences at Pacific Northwest
National Laboratory (PNNL), a multiprogram national laboratory; US
Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences & Biosciences at Iowa State University
through Ames Laboratory [DE-AC02-07CH11358]; Office of Science of the
U.S. Department of Energy [DE-AC02-05CH11231]
FX This work was supported by the US Department of Energy, Office of Basic
Energy Sciences, Division of Chemical Sciences, Geosciences &
Biosciences at Pacific Northwest National Laboratory (PNNL), a
multiprogram national laboratory operated for the DOE by Battelle (for
E. M. and S. S. X.) and at Iowa State University under Contract No.
DE-AC02-07CH11358 through the Ames Laboratory (for K.R.). This research
used resources of the National Energy Research Scientific Computing
Center, which is supported by the Office of Science of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231.
NR 27
TC 20
Z9 20
U1 2
U2 42
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY
SN 1433-7851
J9 ANGEW CHEM INT EDIT
JI Angew. Chem.-Int. Edit.
PY 2013
VL 52
IS 22
BP 5736
EP 5739
DI 10.1002/anie.201300654
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA 155IL
UT WOS:000319741100008
PM 23606511
ER
PT J
AU Scarnato, BV
Vahidinia, S
Richard, DT
Kirchstetter, TW
AF Scarnato, B. V.
Vahidinia, S.
Richard, D. T.
Kirchstetter, T. W.
TI Effects of internal mixing and aggregate morphology on optical
properties of black carbon using a discrete dipole approximation model
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID POROUS DUST GRAINS; LIGHT-ABSORPTION; SCATTERING PROPERTIES; AEROSOL
PROPERTIES; PLANETARY-ATMOSPHERES; SATELLITE RETRIEVAL; REFLECTED
SUNLIGHT; SOOT AEROSOLS; SNOW GRAINS; PARTICLES
AB According to recent studies, internal mixing of black carbon (BC) with other aerosol materials in the atmosphere alters its aggregate shape, absorption of solar radiation, and radiative forcing. These mixing state effects are not yet fully understood. In this study, we characterize the morphology and mixing state of bare BC and BC internally mixed with sodium chloride (NaCl) using electron microscopy and examine the sensitivity of optical properties to BC mixing state and aggregate morphology using a discrete dipole approximation model (DDSCAT). DDSCAT is flexible in simulating the geometry and refractive index of particle aggregates. DDSCAT predicts a higher mass absorption coefficient (MAC), lower single scattering albedo (SSA), and higher absorption Angstrom exponent (AAE) for bare BC aggregates that are lacy rather than compact. Predicted values of SSA at 550 nm range between 0.16 and 0.27 for lacy and compact aggregates, respectively, in agreement with reported experimental values of 0.25 +/- 0.05. The variation in absorption with wavelength does not adhere precisely to a power law relationship over the 200 to 1000 nm range. Consequently, AAE values depend on the wavelength region over which they are computed. The MAC of BC (averaged over the 200-1000 nm range) is amplified when internally mixed with NaCl (100-300 nm in radius) by factors ranging from 1.0 for lacy BC aggregates partially immersed in NaCl to 2.2 for compact BC aggregates fully immersed in NaCl. The SSA of BC internally mixed with NaCl is higher than for bare BC and increases with the embedding in the NaCl. Internally mixed BC SSA values decrease in the 200-400 nm wavelength range, a feature also common to the optical properties of dust and organics. Linear polarization features are also predicted in DDSCAT and are dependent on particle size and morphology.
This study shows that DDSCAT predicts complex morphology and mixing state dependent aerosol optical properties that have been reported previously and are relevant to radiative transfer, climate modeling, and interpretation of remote sensing measurements.
C1 [Scarnato, B. V.; Vahidinia, S.] NASA, Ames Res Ctr, Bay Area Environm Res Inst, Moffett Field, CA 94035 USA.
[Vahidinia, S.] NASA, Ames Res Ctr, Oak Ridge Associated Univ, Moffett Field, CA 94035 USA.
[Richard, D. T.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Kirchstetter, T. W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Kirchstetter, T. W.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA.
RP Scarnato, BV (reprint author), USN, Postgrad Sch, Dept Meteorol, Monterey, CA 93943 USA.
EM barbara.v.scarnato@nasa.gov
FU Radiation Sciences Program in the Earth Science Division of the Science
Mission Directorate, National Aeronautical and Space Administration
[NNH09AK98I]
FX This research was supported by an appointment to the NASA Postdoctoral
Program at Ames Research Center, administrated by Oak Ridge Associated
Universities through a contract with NASA, and by the Radiation Sciences
Program in the Earth Science Division of the Science Mission
Directorate, National Aeronautical and Space Administration via award
NNH09AK98I.
NR 67
TC 35
Z9 35
U1 8
U2 46
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2013
VL 13
IS 10
BP 5089
EP 5101
DI 10.5194/acp-13-5089-2013
PG 13
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 155LK
UT WOS:000319749400001
ER
PT J
AU Naik, V
Voulgarakis, A
Fiore, AM
Horowitz, LW
Lamarque, JF
Lin, M
Prather, MJ
Young, PJ
Bergmann, D
Cameron-Smith, PJ
Cionni, I
Collins, WJ
Dalsoren, SB
Doherty, R
Eyring, V
Faluvegi, G
Folberth, GA
Josse, B
Lee, YH
MacKenzie, IA
Nagashima, T
van Noije, TPC
Plummer, DA
Righi, M
Rumbold, ST
Skeie, R
Shindell, DT
Stevenson, DS
Strode, S
Sudo, K
Szopa, S
Zeng, G
AF Naik, V.
Voulgarakis, A.
Fiore, A. M.
Horowitz, L. W.
Lamarque, J. -F.
Lin, M.
Prather, M. J.
Young, P. J.
Bergmann, D.
Cameron-Smith, P. J.
Cionni, I.
Collins, W. J.
Dalsoren, S. B.
Doherty, R.
Eyring, V.
Faluvegi, G.
Folberth, G. A.
Josse, B.
Lee, Y. H.
MacKenzie, I. A.
Nagashima, T.
van Noije, T. P. C.
Plummer, D. A.
Righi, M.
Rumbold, S. T.
Skeie, R.
Shindell, D. T.
Stevenson, D. S.
Strode, S.
Sudo, K.
Szopa, S.
Zeng, G.
TI Preindustrial to present-day changes in tropospheric hydroxyl radical
and methane lifetime from the Atmospheric Chemistry and Climate Model
Intercomparison Project (ACCMIP)
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID MEAN OH CONCENTRATION; PAST 2 DECADES; INTERANNUAL VARIABILITY; ICE
CORE; ANTHROPOGENIC EMISSIONS; OXIDIZING EFFICIENCY; METHYL CHLOROFORM;
CARBON-MONOXIDE; NOX EMISSIONS; OZONE
AB We have analysed time-slice simulations from 17 global models, participating in the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP), to explore changes in present-day (2000) hydroxyl radical (OH) concentration and methane (CH4) lifetime relative to preindustrial times (1850) and to 1980. A comparison of modeled and observation-derived methane and methyl chloroform lifetimes suggests that the present-day global multi-model mean OH concentration is overestimated by 5 to 10% but is within the range of uncertainties. The models consistently simulate higher OH concentrations in the Northern Hemisphere (NH) compared with the Southern Hemisphere (SH) for the present-day (2000; inter-hemispheric ratios of 1.13 to 1.42), in contrast to observation-based approaches which generally indicate higher OH in the SH although uncertainties are large. Evaluation of simulated carbon monoxide (CO) concentrations, the primary sink for OH, against ground-based and satellite observations suggests low biases in the NH that may contribute to the high north-south OH asymmetry in the models. The models vary widely in their regional distribution of present-day OH concentrations (up to 34 %). Despite large regional changes, the multi-model global mean (mass-weighted) OH concentration changes little over the past 150 yr, due to concurrent increases in factors that enhance OH (humidity, tropospheric ozone, nitrogen oxide (NOx) emissions, and UV radiation due to decreases in stratospheric ozone), compensated by increases in OH sinks (methane abundance, carbon monoxide and non-methane volatile organic carbon (NMVOC) emissions). The large inter-model diversity in the sign and magnitude of preindustrial to present-day OH changes (ranging from a decrease of 12.7% to an increase of 14.6 %) indicate that uncertainty remains in our understanding of the long-term trends in OH and methane lifetime. We show that this diversity is largely explained by the different ratio of the change in global mean tropospheric CO and NOx burdens (Delta CO/Delta NOx, approximately represents changes in OH sinks versus changes in OH sources) in the models, pointing to a need for better constraints on natural precursor emissions and on the chemical mechanisms in the current generation of chemistry-climate models. For the 1980 to 2000 period, we find that climate warming and a slight increase in mean OH (3.5 +/- 2.2 %) leads to a 4.3 +/- 1.9% decrease in the methane lifetime. Analysing sensitivity simulations performed by 10 models, we find that preindustrial to present-day climate change decreased the methane lifetime by about four months, representing a negative feedback on the climate system. Further, we analysed attribution experiments performed by a subset of models relative to 2000 conditions with only one precursor at a time set to 1860 levels. We find that global mean OH increased by 46.4 +/- 12.2% in response to preindustrial to present-day anthropogenic NOx emission increases, and decreased by 17.3 +/- 2.3 %, 7.6 +/- 1.5 %, and 3.1 +/- 3.0% due to methane burden, and anthropogenic CO, and NMVOC emissions increases, respectively.
C1 [Naik, V.] UCAR NOAA Geophys Fluid Dynam Lab, Princeton, NJ USA.
[Voulgarakis, A.] Univ London Imperial Coll Sci Technol & Med, Dept Phys, London, England.
[Fiore, A. M.] Columbia Univ, Dept Earth & Environm Sci, Palisades, NY USA.
[Fiore, A. M.] Columbia Univ, Lamont Doherty Earth Observ, Palisades, NY USA.
[Horowitz, L. W.; Lin, M.] NOAA Geophys Fluid Dynam Lab, Princeton, NJ USA.
[Lamarque, J. -F.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
[Lin, M.] Princeton Univ, Princeton, NJ 08544 USA.
[Prather, M. J.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA USA.
[Young, P. J.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA.
[Young, P. J.] NOAA Earth Syst Res Lab, Chem Sci Div, Boulder, CO USA.
[Bergmann, D.; Cameron-Smith, P. J.] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Cionni, I.] Agenzia Nazl Nuove Tecnol Energia & Sviluppo Econ, Bologna, Italy.
[Collins, W. J.; Folberth, G. A.; Rumbold, S. T.] Hadley Ctr Climate Predict, Met Off, Exeter, Devon, England.
[Dalsoren, S. B.; Skeie, R.] CICERO, Oslo, Norway.
[Doherty, R.; MacKenzie, I. A.; Stevenson, D. S.] Univ Edinburgh, Sch Geosci, Edinburgh, Midlothian, Scotland.
[Eyring, V.; Righi, M.] Deutsch Zentrum Luft & Raumfahrt, Inst Phys Atmosphare, Oberpfaffenhofen, Germany.
[Faluvegi, G.; Lee, Y. H.; Shindell, D. T.] NASA, Goddard Inst Space Studies, New York, NY 10025 USA.
[Josse, B.] CNRS, GAME CNRM, Meteofrance, Ctr Natl Rech Meteorol, Toulouse, France.
[Nagashima, T.] Natl Inst Environm Studies, Tsukuba, Ibaraki, Japan.
[van Noije, T. P. C.] Royal Netherlands Meteorol Inst, NL-3730 AE De Bilt, Netherlands.
[Plummer, D. A.] Environm Canada, Canadian Ctr Climate Modeling & Anal, Victoria, BC, Canada.
[Strode, S.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA.
[Strode, S.] Univ Space Res Assoc, Columbia, MD USA.
[Sudo, K.] Nagoya Univ, Dept Earth & Environm Sci, Grad Sch Environm Studies, Nagoya, Aichi 4648601, Japan.
[Szopa, S.] LSCE CEA CNRS UVSQ IPSL, Lab Sci Climat & Environm, Paris, France.
[Zeng, G.] Natl Inst Water & Atmospher Res, Lauder, New Zealand.
RP Naik, V (reprint author), UCAR NOAA Geophys Fluid Dynam Lab, Princeton, NJ USA.
EM vaishali.naik@noaa.gov
RI Lin, Meiyun/D-6107-2013; Horowitz, Larry/D-8048-2014; Bergmann,
Daniel/F-9801-2011; Naik, Vaishali/A-4938-2013; Strode,
Sarah/H-2248-2012; Lamarque, Jean-Francois/L-2313-2014; Cameron-Smith,
Philip/E-2468-2011; Young, Paul/E-8739-2010; Collins,
William/A-5895-2010; Stevenson, David/C-8089-2012; Righi,
Mattia/I-5120-2013; Szopa, Sophie/F-8984-2010; Shindell,
Drew/D-4636-2012; Skeie, Ragnhild/K-1173-2015; Eyring,
Veronika/O-9999-2016; Lee, Yunha/Q-7222-2016; Manager, CSD
Publications/B-2789-2015;
OI Lin, Meiyun/0000-0003-3852-3491; Horowitz, Larry/0000-0002-5886-3314;
Bergmann, Daniel/0000-0003-4357-6301; Naik,
Vaishali/0000-0002-2254-1700; Strode, Sarah/0000-0002-8103-1663;
Lamarque, Jean-Francois/0000-0002-4225-5074; Cameron-Smith,
Philip/0000-0002-8802-8627; Young, Paul/0000-0002-5608-8887; Collins,
William/0000-0002-7419-0850; Stevenson, David/0000-0002-4745-5673;
Szopa, Sophie/0000-0002-8641-1737; Skeie, Ragnhild/0000-0003-1246-4446;
Eyring, Veronika/0000-0002-6887-4885; Lee, Yunha/0000-0001-7478-2672;
Folberth, Gerd/0000-0002-1075-440X; Righi, Mattia/0000-0003-3827-5950
FU Atmospheric Chemistry and Climate (AC&C), a project of International
Global Atmospheric Chemistry (IGAC) and Stratospheric Processes And
their Role in Climate (SPARC) under the International
Geosphere-Biosphere Project (IGBP); World Climate Research Program
(WCRP); US Dept. of Energy (BER); LLNL [DE-AC52-07NA27344]; NERSC
[DE-AC02-05CH11231]; Norwegian Research Council; ENEA; DLR Earth System
Model Validation (ESMVal); NASA; NASA MAP program; NASA ACMAP program;
DECC [GA01101]; Defra [GA01101]; Environment Research and Technology
Development Fund (S-7) of the Ministry of the Environment, Japan [S-7];
National Science Foundation; Office of Science (BER) of the US
Department of Energy; Office of Science and Technology through EPSRC's
High End Computing Programme
FX ACCMIP is organized under the auspices of Atmospheric Chemistry and
Climate (AC&C), a project of International Global Atmospheric Chemistry
(IGAC) and Stratospheric Processes And their Role in Climate (SPARC)
under the International Geosphere-Biosphere Project (IGBP) and World
Climate Research Program (WCRP). The authors are grateful to the British
Atmospheric Data Centre (BADC), which is part of the NERC National
Centre for Atmospheric Science (NCAS), for collecting and archiving the
ACCMIP data.; For CESM-CAM-superfast, DB and PC were funded by the US
Dept. of Energy (BER), performed under the auspices of LLNL under
Contract DE-AC52-07NA27344, and used the supercomputing resources of
NERSC under contract No. DE-AC02-05CH11231.; The CICERO-OSloCTM2
simulations were done within the projects SLAC (Short Lived Atmospheric
Components) and Earth-Clim funded by the Norwegian Research Council.;
For EMAC, the work of VE and MR was funded by the DLR Earth System Model
Validation (ESMVal) project and used the supercomputing resources of the
German Climate Computing Center (DKRZ) and the Leibniz Supercomputing
Centre (LRZ), and the work of IC was funded by the ENEA National
Integrated Model to support the international negotiation on atmospheric
pollution (Minni) project.; The GEOSCCM work was supported by the NASA
Modeling, Analysis and Prediction program, with computing resources
provided by NASA's High-End Computing Program through the NASA Advanced
Supercomputing Division.; AV, DTS and YHL acknowledge support from the
NASA MAP and ACMAP programs.; For HadGEM2, WJC, GAF, and STR were
supported by the Joint DECC and Defra Integrated Climate Programme
(GA01101).; The MIROC-CHEM calculations were performed on the NIES
supercomputer system (NEC SX-8R), and supported by the Environment
Research and Technology Development Fund (S-7) of the Ministry of the
Environment, Japan.; The CESM project, including NCAR-CAM3.5, is
supported by the National Science Foundation and the Office of Science
(BER) of the US Department of Energy. The National Center for
Atmospheric Research is operated by the University Corporation for
Atmospheric Research under sponsorship of the National Science
Foundation.; The STOC-HadAM3 work made use of the facilities of HECToR,
the UK's national high-performance computing service which is funded by
the Office of Science and Technology through EPSRC's High End Computing
Programme.
NR 107
TC 81
Z9 82
U1 5
U2 90
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2013
VL 13
IS 10
BP 5277
EP 5298
DI 10.5194/acp-13-5277-2013
PG 22
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 155LK
UT WOS:000319749400014
ER
PT J
AU Liu, S
Wei, Y
Post, WM
Cook, RB
Schaefer, K
Thornton, MM
AF Liu, S.
Wei, Y.
Post, W. M.
Cook, R. B.
Schaefer, K.
Thornton, M. M.
TI The Unified North American Soil Map and its implication on the soil
organic carbon stock in North America
SO BIOGEOSCIENCES
LA English
DT Article
ID GENERAL-CIRCULATION MODELS; CONTIGUOUS UNITED-STATES; BIOSPHERE MODEL;
MOJAVE DESERT; DATA SET; VEGETATION; DYNAMICS; CLIMATE; ALASKA; STORAGE
AB The Unified North American Soil Map (UNASM) was developed to provide more accurate regional soil information for terrestrial biosphere modeling. The UNASM combines information from state-of-the-art US STATSGO2 and Soil Landscape of Canada (SLCs) databases. The area not covered by these datasets is filled by using the Harmonized World Soil Database version 1.21 (HWSD1.21). The UNASM contains maximum soil depth derived from the data source as well as seven soil attributes (including sand, silt, and clay content, gravel content, organic carbon content, pH, and bulk density) for the topsoil layer (0-30 cm) and the subsoil layer (30-100 cm), respectively, of the spatial resolution of 0.25 degrees in latitude and longitude. There are pronounced differences in the spatial distributions of soil properties and soil organic carbon between UNASM and HWSD, but the UNASM overall provides more detailed and higher-quality information particularly in Alaska and central Canada. To provide more accurate and up-to-date estimate of soil organic carbon stock in North America, we incorporated Northern Circumpolar Soil Carbon Database (NCSCD) into the UNASM. The estimate of total soil organic carbon mass in the upper 100 cm soil profile based on the improved UNASM is 365.96 Pg, of which 23.1% is under trees, 14.1% is in shrubland, and 4.6% is in grassland and cropland. This UNASM data will provide a resource for use in terrestrial ecosystem modeling both for input of soil characteristics and for benchmarking model output.
C1 [Liu, S.; Wei, Y.; Post, W. M.; Cook, R. B.; Thornton, M. M.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA.
[Schaefer, K.] Univ Colorado, Natl Snow & Ice Data Ctr, Boulder, CO 80309 USA.
RP Liu, S (reprint author), Huazhong Agr Univ, Coll Resources & Environm, Wuhan 430070, Hubei, Peoples R China.
EM carol.shishi@gmail.com
RI Cook, Robert/I-1395-2013; Wei, Yaxing/K-1507-2013; Liu,
Shuyan/M-8813-2014;
OI Wei, Yaxing/0000-0001-6924-0078; Cook, Robert/0000-0001-7393-7302
FU NASA's Terrestrial Ecology Program (TEP) for the Modeling and Synthesis
Thematic Data Center (MAST-DC) [09-TE09-26]; NASA TEP
FX The authors would like to acknowledge the financial support from the
NASA's Terrestrial Ecology Program (TEP) for the Modeling and Synthesis
Thematic Data Center (MAST-DC: project 09-TE09-26). We would like to
thank the core group from the NASA TEP-funded Multi-scale Synthesis and
Terrestrial Model Intercomparison Project (MsTMIP) for providing helpful
suggestions to this study. This study was part of the North American
Carbon Program.
NR 63
TC 12
Z9 12
U1 3
U2 26
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2013
VL 10
IS 5
BP 2915
EP 2930
DI 10.5194/bg-10-2915-2013
PG 16
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA 156QT
UT WOS:000319838200007
ER
PT J
AU Bowles, FL
Olmstead, MM
Beavers, CM
Balch, AL
AF Bowles, Faye L.
Olmstead, Marilyn M.
Beavers, Christine M.
Balch, Alan L.
TI Reshaping molecules through cocrystallization. Comparison of the
structures of Hg{Co(CO)(4)}(2) and Hg{Co(CO)(4)}(2)center dot C-60
center dot toluene
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID SOLUBLE ENDOHEDRAL FULLERENES; DICOBALT OCTACARBONYL; METAL-CARBONYL;
CRYSTALLOGRAPHIC CHARACTERIZATION; CRYSTAL-STRUCTURE; TRANSITION;
DISORDER; C-60
AB Cocrystallization of Hg{Co(CO)(4)}(2) with C-60 produces Hg{Co(CO)(4)}(2)center dot C-60 center dot toluene in which the geometry of the Hg{Co(CO)(4)}(2) molecule is rearranged to fit between the remarkably well ordered fullerenes.
C1 [Bowles, Faye L.; Olmstead, Marilyn M.; Balch, Alan L.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA.
[Beavers, Christine M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Balch, AL (reprint author), Univ Calif Davis, Dept Chem, 1 Shields Ave, Davis, CA 95616 USA.
EM albalch@ucdavis.edu
RI Beavers, Christine/C-3539-2009
OI Beavers, Christine/0000-0001-8653-5513
FU NSF [CHE-1011760]; ALS; Advanced Light Source; Lawrence Berkeley
Laboratory; Office of Science, Office of Basic Energy Sciences, of the
U.S. Department of Energy [DE-AC02-05CH11231]
FX Financial support from the NSF [Grant CHE-1011760 to ALB and MMO] and
the ALS for a predoctoral fellowship for F.L.B. is gratefully
acknowledged. We also thank the Advanced Light Source, Lawrence Berkeley
Laboratory and Dr. Simon Teat, for support. The Advanced Light Source is
supported by the Director, Office of Science, Office of Basic Energy
Sciences, of the U.S. Department of Energy under Contract No.
DE-AC02-05CH11231.
NR 27
TC 1
Z9 1
U1 1
U2 5
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2013
VL 49
IS 53
BP 5921
EP 5923
DI 10.1039/c3cc41773e
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 158QP
UT WOS:000319987600003
PM 23648829
ER
PT J
AU Brown, JW
Henderson, BL
Kiesz, MD
Whalley, AC
Morris, W
Grunder, S
Deng, HX
Furukawa, H
Zink, JI
Stoddart, JF
Yaghi, OM
AF Brown, Jonathan W.
Henderson, Bryana L.
Kiesz, Matthew D.
Whalley, Adam C.
Morris, William
Grunder, Sergio
Deng, Hexiang
Furukawa, Hiroyasu
Zink, Jeffrey I.
Stoddart, J. Fraser
Yaghi, Omar M.
TI Photophysical pore control in an azobenzene-containing metal-organic
framework
SO CHEMICAL SCIENCE
LA English
DT Article
ID DRUG-DELIVERY; MESOSTRUCTURED SILICA; MOLECULAR MACHINES; HYDROGEN
STORAGE; POLYMER-FILMS; PHOTOISOMERIZATION; PHOTOCHEMISTRY;
NANOPARTICLES; CATALYSIS; RELEASE
AB The synthesis and structure of an azobenzene functionalized isoreticular metal-organic framework (azo-IRMOF-74-III) [Mg-2(C26H16O6N2)] are described and the ability to controllably release a guest from its pores in response to an external stimulus has been demonstrated. Azo-IRMOF-74-III is an isoreticular expansion of MOF-74 with an etb topology and a 1-D hexagonal pore structure. The structure of azo-IRMOF-74-III is analogous to that of MOF-74, as demonstrated by powder X-ray diffraction, with a surface area of 2410 m(2) g(-1) BET. Each organic unit within azo-IRMOF-74-III is decorated with a photoswitchable azobenzene unit, which can be toggled between its cis and trans conformation by excitation at 408 nm. When propidium iodide dye was loaded into the MOF, spectroscopic studies showed that no release of the luminescent dye was observed under ambient conditions. Upon irradiation of the MOF at 408 nm, however, the rapid wagging motion inherent to the repetitive isomerization of the azobenzene functionality triggered the release of the dye from the pores. This light-induced release of cargo can be modulated between an on and an off state by controlling the conformation of the azobenzene with the appropriate wavelength of light. This report highlights the ability to capture and release small molecules and demonstrates the utility of self-contained photoactive switches located inside highly porous MOFs.
C1 [Brown, Jonathan W.; Morris, William; Deng, Hexiang; Furukawa, Hiroyasu; Yaghi, Omar M.] Univ Calif Los Angeles, Ctr Reticular Chem, Ctr Global Mentoring, Dept Chem & Biochem, Los Angeles, CA 90095 USA.
[Henderson, Bryana L.; Kiesz, Matthew D.; Zink, Jeffrey I.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA.
[Whalley, Adam C.; Grunder, Sergio; Stoddart, J. Fraser] Northwestern Univ, Ctr Chem Integrated Syst, Evanston, IL 60208 USA.
[Whalley, Adam C.; Grunder, Sergio; Stoddart, J. Fraser] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
[Yaghi, Omar M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Yaghi, Omar M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Div Mat Sci, Berkeley, CA 94720 USA.
RP Brown, JW (reprint author), Univ Calif Los Angeles, Ctr Reticular Chem, Ctr Global Mentoring, Dept Chem & Biochem, Los Angeles, CA 90095 USA.
EM jbrown@chem.ucla.edu; yaghi@berkeley.edu
RI Stoddart, James /H-1518-2011; Furukawa, Hiroyasu/C-5910-2008;
OI Furukawa, Hiroyasu/0000-0002-6082-1738; Yaghi, Omar/0000-0002-5611-3325
FU DTRA/US Army Research Office [W911NF-07-1-0533]
FX This work was supported by DTRA/US Army Research Office (Grant
W911NF-07-1-0533).
NR 44
TC 75
Z9 75
U1 43
U2 310
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2041-6520
J9 CHEM SCI
JI Chem. Sci.
PY 2013
VL 4
IS 7
BP 2858
EP 2864
DI 10.1039/c3sc21659d
PG 7
WC Chemistry, Multidisciplinary
SC Chemistry
GA 158AH
UT WOS:000319940400018
ER
PT J
AU Wei, D
Hossain, T
Garces, NY
Nepal, N
Meyer, HM
Kirkham, MJ
Eddy, CR
Edgar, JH
AF Wei, D.
Hossain, T.
Garces, N. Y.
Nepal, N.
Meyer, H. M., III
Kirkham, M. J.
Eddy, C. R., Jr.
Edgar, J. H.
TI Influence of Atomic Layer Deposition Temperatures on TiO2/n-Si MOS
Capacitor
SO ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY
LA English
DT Article
ID TIO2 FILMS; INTERFACE; GROWTH; SI
AB This paper reports on the influence of deposition temperature on the structure, composition, and electrical properties of TiO2 thin films deposited on n-type silicon (100) by plasma-assisted atomic layer deposition (PA-ALD). TiO2 layers similar to 20 nm thick, deposited at temperatures ranging from 100 to 300 degrees C, were investigated. Samples deposited at 200 degrees C and 250 degrees C had the most uniform coverage as determined by atomic force microscopy. The average carbon concentration throughout the oxide layer and at the TiO2/Si interface was lowest at 200 degrees C. Metal oxide semiconductor capacitors (MOSCAPs) were fabricated, and profiled by capacitance-voltage techniques. The sample prepared at 200 degrees C had negligible hysteresis (from a capacitance-voltage plot) and the lowest interface trap density (as extracted using the conductance method). Current-voltage measurements were carried out with top-to-bottom structures. At -2 V gate bias voltage, the smallest leakage current was 1.22 x 10(-5) A/cm(2) for the 100 degrees C deposited sample. (C) 2013 The Electrochemical Society.
C1 [Wei, D.; Hossain, T.; Edgar, J. H.] Kansas State Univ, Dept Chem Engn, Manhattan, KS 66506 USA.
[Garces, N. Y.; Nepal, N.; Eddy, C. R., Jr.] USN, Elect Sci & Technol Div, Res Lab, Washington, DC 20375 USA.
[Meyer, H. M., III; Kirkham, M. J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
RP Wei, D (reprint author), Kansas State Univ, Dept Chem Engn, Durland Hall, Manhattan, KS 66506 USA.
EM edgarjh@ksu.edu
RI Kirkham, Melanie/B-6147-2011
OI Kirkham, Melanie/0000-0001-8411-9751
FU Office of Naval Research [N00014-09-1-1160]; U.S. Department of Energy,
Office of Energy Efficiency and Renewable Energy, Vehicle Technologies
Program; Office of Naval Research
FX We are grateful for the support for this project from the Office of
Naval Research, grant N00014-09-1-1160, Paul Maki, program manager. XPS
and XRD were conducted through the Oak Ridge National Laboratory's High
Temperature Materials Laboratory User Program, sponsored by the U.S.
Department of Energy, Office of Energy Efficiency and Renewable Energy,
Vehicle Technologies Program. Work at the U.S. Naval Research Laboratory
is supported by the Office of Naval Research.
NR 29
TC 11
Z9 11
U1 1
U2 21
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 2162-8769
J9 ECS J SOLID STATE SC
JI ECS J. Solid State Sci. Technol.
PY 2013
VL 2
IS 5
BP N110
EP N114
DI 10.1149/2.010305jss
PG 5
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA 151KA
UT WOS:000319458200004
ER
PT J
AU Zhou, YJ
Gao, HY
Mihindukulasuriya, KA
La Rosa, PS
Wylie, KM
Vishnivetskaya, T
Podar, M
Warner, B
Tarr, PI
Nelson, DE
Fortenberry, JD
Holland, MJ
Burr, SE
Shannon, WD
Sodergren, E
Weinstock, GM
AF Zhou, Yanjiao
Gao, Hongyu
Mihindukulasuriya, Kathie A.
La Rosa, Patricio S.
Wylie, Kristine M.
Vishnivetskaya, Tatiana
Podar, Mircea
Warner, Barb
Tarr, Phillip I.
Nelson, David E.
Fortenberry, J. Dennis
Holland, Martin J.
Burr, Sarah E.
Shannon, William D.
Sodergren, Erica
Weinstock, George M.
TI Biogeography of the ecosystems of the healthy human body
SO GENOME BIOLOGY
LA English
DT Article
DE Biogeography; Human microbiome; Biodiversity; Temporal stability
ID HUMAN ORAL MICROBIOME; RARE BIOSPHERE; RIBOSOMAL-RNA; DIVERSITY; GUT;
BACTERIA; COMMUNITIES; DISEASE; CHILDREN; PROJECT
AB Background: Characterizing the biogeography of the microbiome of healthy humans is essential for understanding microbial associated diseases. Previous studies mainly focused on a single body habitat from a limited set of subjects. Here, we analyzed one of the largest microbiome datasets to date and generated a biogeographical map that annotates the biodiversity, spatial relationships, and temporal stability of 22 habitats from 279 healthy humans.
Results: We identified 929 genera from more than 24 million 16S rRNA gene sequences of 22 habitats, and we provide a baseline of inter-subject variation for healthy adults. The oral habitat has the most stable microbiota with the highest alpha diversity, while the skin and vaginal microbiota are less stable and show lower alpha diversity. The level of biodiversity in one habitat is independent of the biodiversity of other habitats in the same individual. The abundances of a given genus at a body site in which it dominates do not correlate with the abundances at body sites where it is not dominant. Additionally, we observed the human microbiota exhibit both cosmopolitan and endemic features. Finally, comparing datasets of different projects revealed a project-based clustering pattern, emphasizing the significance of standardization of metagenomic studies.
Conclusions: The data presented here extend the definition of the human microbiome by providing a more complete and accurate picture of human microbiome biogeography, addressing questions best answered by a large dataset of subjects and body sites that are deeply sampled by sequencing.
C1 [Zhou, Yanjiao; Gao, Hongyu; Mihindukulasuriya, Kathie A.; Wylie, Kristine M.; Sodergren, Erica; Weinstock, George M.] Washington Univ, Sch Med, Genome Inst, St Louis, MO 63108 USA.
[La Rosa, Patricio S.; Shannon, William D.] Washington Univ, Sch Med, Div Gen Med Sci, Dept Med, St Louis, MO 63110 USA.
[Vishnivetskaya, Tatiana] Univ Tennessee, Knoxville, TN 37916 USA.
[Nelson, David E.; Fortenberry, J. Dennis] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Warner, Barb] Washington Univ, Sch Med, Div Newborn Med, Dept Pediat, St Louis, MO 63110 USA.
[Tarr, Phillip I.] Washington Univ, Sch Med, Div Pediat Gastroenterol, Dept Pediat, St Louis, MO 63110 USA.
[Nelson, David E.] Indiana Univ, Dept Biol, Bloomington, IN 47405 USA.
[Fortenberry, J. Dennis] Indiana Univ Sch Med, Dept Pediat, Sect Adolescent Med, Indianapolis, IN 46202 USA.
[Holland, Martin J.; Burr, Sarah E.] Univ London London Sch Hyg & Trop Med, London WC1E 7HT, England.
[Burr, Sarah E.] MRC Unit, Gambia 1000, Fajara, Gambia.
RP Weinstock, GM (reprint author), Washington Univ, Sch Med, Genome Inst, St Louis, MO 63108 USA.
EM gweinsto@genome.wustl.edu
OI Vishnivetskaya, Tatiana/0000-0002-0660-023X; Podar,
Mircea/0000-0003-2776-0205; Mihindukulasuriya,
Kathie/0000-0001-9372-3758
FU National Institutes of Health [U54HG004968]; NIH-NHGRI [1R01HG004857];
Oak Ridge National Laboratory; Wellcome Trust [079246/Z/06/Z]; NIH [UH3
AI083265, 5P30 DK052574, UH3 AI094641]
FX The authors are grateful to the NIH Common Fund Human Microbiome Project
Consortium for generating and making available many of the datasets used
in this study. The research leading to these results received funding
from the National Institutes of Health, grant U54HG004968 to George
Weinstock, The Genome Institute at Washington University. Tatiana
Vishnivetskaya and Mircea Podar were supported by NIH-NHGRI grant
1R01HG004857 and by the Oak Ridge National Laboratory (managed by
UT-Battelle, LLC, for the U.S. Department of Energy). Martin J. Holland
was supported by the Wellcome Trust Grant 079246/Z/06/Z. Phillip I. Tarr
was supported by NIH grants UH3 AI083265 and 5P30 DK052574 (Biobank) for
the Digestive Diseases Research Core Center. J. Dennis Fortenberry was
supported by NIH grant UH3 AI094641.
NR 53
TC 35
Z9 37
U1 3
U2 54
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1465-6906
J9 GENOME BIOL
JI Genome Biol.
PY 2013
VL 14
IS 1
AR R1
DI 10.1186/gb-2013-14-1-r1
PG 18
WC Biotechnology & Applied Microbiology; Genetics & Heredity
SC Biotechnology & Applied Microbiology; Genetics & Heredity
GA 160YA
UT WOS:000320155200001
PM 23316946
ER
PT J
AU Mernild, SH
Yde, JC
Malmros, JK
Knudsen, NT
AF Mernild, Sebastian H.
Yde, Jacob C.
Malmros, Jeppe K.
Knudsen, Niels Tvis
TI Land-terminating glacier volume changes in different Circum-Arctic
areas, mid-1980s to late-2000s/2011
SO GEOGRAFISK TIDSSKRIFT-DANISH JOURNAL OF GEOGRAPHY
LA English
DT Article
ID MITTIVAKKAT-GLETSCHER; SOUTHEAST GREENLAND; MASS-BALANCE; FUTURE
C1 [Mernild, Sebastian H.; Malmros, Jeppe K.] Ctr Estudios Cient, Glaciol & Climate Change Lab, Ctr Sci Studies, Valdivia, Chile.
[Mernild, Sebastian H.] Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, Los Alamos, NM USA.
[Yde, Jacob C.] Sogn Fjordane Univ Coll, Fac Sci & Technol, Sogndal, Norway.
[Knudsen, Niels Tvis] Aarhus Univ, Dept Geosci, Aarhus, Denmark.
RP Mernild, SH (reprint author), Ctr Estudios Cient, Glaciol & Climate Change Lab, Ctr Sci Studies, Valdivia, Chile.
EM mernild@cecs.cl
RI Knudsen, Niels Tvis/A-2461-2014;
OI Yde, Jacob Clement/0000-0002-6211-2601
NR 27
TC 3
Z9 3
U1 1
U2 3
PU ROYAL DANISH GEOGRAPHICAL SOC
PI COPENHAGEN K
PA OSTER VOLDGADE 10, COPENHAGEN K, DK 1350, DENMARK
SN 0016-7223
EI 1903-2471
J9 GEOGR TIDSSKR-DEN
JI Geogr. Tidsskr.
PY 2013
VL 113
IS 1
BP 65
EP 70
DI 10.1080/00167223.2013.799311
PG 6
WC Environmental Studies; Geography
SC Environmental Sciences & Ecology; Geography
GA 156KU
UT WOS:000319821600006
ER
PT J
AU Bindschadler, RA
Nowicki, S
Abe-Ouchi, A
Aschwanden, A
Choi, H
Fastook, J
Granzow, G
Greve, R
Gutowski, G
Herzfeld, U
Jackson, C
Johnson, J
Khroulev, C
Levermann, A
Lipscomb, WH
Martin, MA
Morlighem, M
Parizek, BR
Pollard, D
Price, SF
Ren, DD
Saito, F
Sato, T
Seddik, H
Seroussi, H
Takahashi, K
Walker, R
Wang, WL
AF Bindschadler, Robert A.
Nowicki, Sophie
Abe-Ouchi, Ayako
Aschwanden, Andy
Choi, Hyeungu
Fastook, Jim
Granzow, Glen
Greve, Ralf
Gutowski, Gail
Herzfeld, Ute
Jackson, Charles
Johnson, Jesse
Khroulev, Constantine
Levermann, Anders
Lipscomb, William H.
Martin, Maria A.
Morlighem, Mathieu
Parizek, Byron R.
Pollard, David
Price, Stephen F.
Ren, Diandong
Saito, Fuyuki
Sato, Tatsuru
Seddik, Hakime
Seroussi, Helene
Takahashi, Kunio
Walker, Ryan
Wang, Wei Li
TI Ice-sheet model sensitivities to environmental forcing and their use in
projecting future sea level (the SeaRISE project)
SO JOURNAL OF GLACIOLOGY
LA English
DT Article
ID DIGITAL ELEVATION MODEL; SATELLITE RADAR; MASS-BALANCE; SURFACE MELT;
LASER DATA; PISM-PIK; GREENLAND; ANTARCTICA; SHELF; FLOW
AB Ten ice-sheet models are used to study sensitivity of the Greenland and Antarctic ice sheets to prescribed changes of surface mass balance, sub-ice-shelf melting and basal sliding. Results exhibit a large range in projected contributions to sea-level change. In most cases, the ice volume above flotation lost is linearly dependent on the strength of the forcing. Combinations of forcings can be closely approximated by linearly summing the contributions from single forcing experiments, suggesting that nonlinear feedbacks are modest. Our models indicate that Greenland is more sensitive than Antarctica to likely atmospheric changes in temperature and precipitation, while Antarctica is more sensitive to increased ice-shelf basal melting. An experiment approximating the Intergovernmental Panel on Climate Change's RCP8.5 scenario produces additional first-century contributions to sea level of 22.3 and 8.1 cm from Greenland and Antarctica, respectively, with a range among models of 62 and 14 cm, respectively. By 200 years, projections increase to 53.2 and 26.7 cm, respectively, with ranges of 79 and 43 cm. Linear interpolation of the sensitivity results closely approximates these projections, revealing the relative contributions of the individual forcings on the combined volume change and suggesting that total ice-sheet response to complicated forcings over 200 years can be linearized.
C1 [Bindschadler, Robert A.; Nowicki, Sophie; Wang, Wei Li] NASA, Goddard Space Flight Ctr, Greenbelt, MD USA.
[Abe-Ouchi, Ayako] Univ Tokyo, Atmosphere & Ocean Res Inst, Kashiwa, Chiba, Japan.
[Aschwanden, Andy; Khroulev, Constantine] Univ Alaska Fairbanks, Inst Geophys, Fairbanks, AK 99775 USA.
[Choi, Hyeungu] Sigma Space Corp, Lanham, MD USA.
[Fastook, Jim] Univ Maine, Comp Sci Quaternary Inst, Orono, ME USA.
[Granzow, Glen; Johnson, Jesse] Univ Montana, Coll Arts & Sci, Missoula, MT 59812 USA.
[Greve, Ralf; Sato, Tatsuru; Seddik, Hakime] Hokkaido Univ, Inst Low Temp Sci, Sapporo, Hokkaido 060, Japan.
[Gutowski, Gail; Jackson, Charles] Univ Texas Austin, Inst Geophys, Austin, TX USA.
[Herzfeld, Ute] Univ Colorado, Dept Elect Comp & Energy Engn, Boulder, CO 80309 USA.
[Herzfeld, Ute] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA.
[Levermann, Anders] Univ Potsdam, Inst Phys, Potsdam, Germany.
[Lipscomb, William H.; Price, Stephen F.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Martin, Maria A.] Potsdam Inst Climate Impact Res, Potsdam, Germany.
[Morlighem, Mathieu] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA USA.
[Parizek, Byron R.] Penn State DuBois, Math & Geosci, Du Bois, PA USA.
[Pollard, David] Penn State Univ, Earth & Environm Syst Inst, University Pk, PA 16802 USA.
[Ren, Diandong] Curtin Univ Technol, Dept Phys, Perth, WA, Australia.
[Saito, Fuyuki; Takahashi, Kunio] Japan Agcy Marine Earth Sci & Technol, Res Inst Global Change, Kanazawa Ku, Yokohama, Kanagawa, Japan.
[Seroussi, Helene] CALTECH, Jet Prop Lab, Pasadena, CA USA.
[Walker, Ryan] Univ Maryland, Earth Syst Sci Interdisciplinary Ctr, College Pk, MD 20742 USA.
RP Bindschadler, RA (reprint author), NASA, Goddard Space Flight Ctr, Greenbelt, MD USA.
EM robert.a.bindschadler@nasa.gov
RI Levermann, Anders/G-4666-2011; Price, Stephen /E-1568-2013; Greve,
Ralf/G-2336-2010; Abe-Ouchi, Ayako/M-6359-2013; Seddik,
Hakime/F-7640-2014; Morlighem, Mathieu/O-9942-2014; Jackson,
Charles/A-2202-2009; Ren, Diandong/C-8870-2013;
OI Levermann, Anders/0000-0003-4432-4704; Price, Stephen
/0000-0001-6878-2553; Greve, Ralf/0000-0002-1341-4777; Abe-Ouchi,
Ayako/0000-0003-1745-5952; Seddik, Hakime/0000-0002-0241-590X;
Morlighem, Mathieu/0000-0001-5219-1310; Jackson,
Charles/0000-0002-2870-4494; Ren, Diandong/0000-0002-5757-7527; SAITO,
Fuyuki/0000-0001-5935-9614
FU Japan Society for the Promotion of Science (JSPS) [22244058]; NASA
[NNX11AP39G, NNX-09-AV94G, NNX-10-AI04G, 281945.02.53.02.19]; US
National Science Foundation (NSF) [0531211, 0758274, 0909335]; Center
for Remote Sensing of Ice Sheets (CReSIS) [0424589]; NSF [0909335,
ANT-0424589, 1043018, 25-0550-0001, OCE-1202632, CReSIS 0424589]; US
Department of Energy (DOE) Office of Science Office of Biological and
Environmental Research; DOE's Office of Science [DE-AC02-05CH11231,
DE-AC05-000R22725]; Jet Propulsion Laboratory (JPL) Research Technology
and Development Program; Gary Comer Science and Education Foundation
FX R. Greve, H. Seddik and T. Sato were supported by a Grant-in-Aid for
Scientific Research A (No. 22244058) from the Japan Society for the
Promotion of Science (JSPS).; U. Herzfeld was supported by a NASA
Cryospheric Sciences Award (NNX11AP39G).; B. Parizek was supported by
the US National Science Foundation (NSF) under grants 0531211, 0758274,
0909335 and the Center for Remote Sensing of Ice Sheets (CReSIS) 0424589
and by NASA under grants NNX-09-AV94G and NNX-10-AI04G.; D. Pollard was
supported by NSF under grants ANT-0424589, 1043018, 25-0550-0001 and
OCE-1202632.; S.F. Price and W.H. Lipscomb were supported by the US
Department of Energy (DOE) Office of Science Office of Biological and
Environmental Research. Simulations were conducted at the National
Energy Research Scientific Computing Center (supported by DOE's Office
of Science under contract No. DE-AC02-05CH11231) using time awarded
through DOE's ASCR Leadership Computing Challenge allocation to the
project 'Projections of Ice Sheet Evolution Using Advanced Ice and Ocean
Models'. Model development and simulations were also conducted at the
Oak Ridge Leadership Computing Facility at the Oak Ridge National
Laboratory, supported by DOE's Office of Science under contract No.
DE-AC05-000R22725. CISM development and simulations relied on additional
support by K.J. Evans, P.H. Worley and J.A. Nichols (all of Oak Ridge
National Laboratory) and A.G. Salinger (Sandia National Laboratories).;
H. Seroussi and M. Morlighem are supported by the NASA Cryospheric
Sciences Program and Modeling Analysis and Prediction Program, and a
contract with the Jet Propulsion Laboratory (JPL) Research Technology
and Development Program. H. Seroussi was also supported by an
appointment to the NASA Postdoctoral Program at JPL, administered by Oak
Ridge Associated Universities through a contract with NASA. Resources
supporting this work were provided by the NASA High-End Computing (HEC)
Program through the NASA Advanced Supercomputing (NAS) Division at Ames
Research Center. E. Larour and E. Rignot further enabled their
participation on SeaRISE.; R. Walker was supported by NSF through grants
0909335 and CReSIS 0424589, by NASA under grants NNX-09-AV94G and
NNX-10-AI04G, and by the Gary Comer Science and Education Foundation.;
W. Wang was supported by the NASA Cryospheric Science program (grant
281945.02.53.02.19).
NR 102
TC 82
Z9 83
U1 5
U2 64
PU CAMBRIDGE UNIV PRESS
PI CAMBRIDGE
PA EDINBURGH BLDG, SHAFTESBURY RD, CB2 8RU CAMBRIDGE, ENGLAND
SN 0022-1430
EI 1727-5652
J9 J GLACIOL
JI J. Glaciol.
PY 2013
VL 59
IS 214
BP 195
EP 224
DI 10.3189/2013JoG12J125
PG 30
WC Geography, Physical; Geosciences, Multidisciplinary
SC Physical Geography; Geology
GA 154ZV
UT WOS:000319716100001
ER
PT J
AU Mohanty, D
Sefat, AS
Kalnaus, S
Li, JL
Meisner, RA
Payzant, EA
Abraham, DP
Wood, DL
Daniel, C
AF Mohanty, Debasish
Sefat, Athena S.
Kalnaus, Sergiy
Li, Jianlin
Meisner, Roberta A.
Payzant, E. Andrew
Abraham, Daniel P.
Wood, David L.
Daniel, Claus
TI Investigating phase transformation in the Li1.2Co0.1Mn0.55Ni0.15O2
lithium-ion battery cathode during high-voltage hold (4.5 V) via
magnetic, X-ray diffraction and electron microscopy studies
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID ELECTROCHEMICAL-BEHAVIOR; CRYSTAL-STRUCTURE; LOCAL-STRUCTURE;
SOLID-SOLUTION; LICOO2; CAPACITY; LI2MNO3; OXIDES; CELLS; INTERCALATION
AB This study is the first that provides evidence of phase transformation in a Li-rich Li1.2Co0.1Mn0.55Ni0.15O2 cathode material for lithium-ion batteries (LIBs) during constant voltage charging. Diffraction and magnetic measurement techniques were successfully implemented to investigate the structural transformation in this cathode material during holding a half-cell at 4.5 V in a charged state. The results from X-ray diffraction showed a decrease in c-lattice parameters during high-voltage hold. Magnetic data revealed an increase in average effective magnetic moments of transition metal (TM) ions at constant voltage corresponding to a change in electronic states of TM ions. Analysis showed the reduction of Ni4+ to Ni2+, which was attributed to charge compensation due to oxygen loss. The appearance of the strong {1010} forbidden reflection in the single-crystal selected area electron diffraction (SAED) data was attributed to migration of transition metal ions to the octahedral vacancy sites in the lithium layer during high-voltage hold, which was in agreement with the magnetization results. After prolonged hold at 4.5 V, high-resolution transmission electron microscopy (TEM) images along with SAED results showed the presence of spinel phases in the particles, indicating a layered to spinel like phase transformation at constant voltage in agreement with the magnetic data. The results obtained from these magnetic and diffraction studies furnish the fundamental understanding of the structural transformation pathways in Li-rich cathodes at constant voltage and will be instrumental for modifying the parent structure to achieve greater stability.
C1 [Mohanty, Debasish; Sefat, Athena S.; Kalnaus, Sergiy; Meisner, Roberta A.; Wood, David L.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37931 USA.
[Li, Jianlin; Daniel, Claus] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA.
[Payzant, E. Andrew] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA.
[Abraham, Daniel P.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Daniel, Claus] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, Knoxville, TN 37996 USA.
RP Mohanty, D (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37931 USA.
EM mohantyd@ornl.gov
RI Payzant, Edward/B-5449-2009; Mohanty, Debasish/B-6207-2012; Daniel,
Claus/A-2060-2008; Li, Jianlin/D-3476-2011; Sefat, Athena/R-5457-2016
OI Payzant, Edward/0000-0002-3447-2060; Mohanty,
Debasish/0000-0003-1141-0657; Daniel, Claus/0000-0002-0571-6054; Li,
Jianlin/0000-0002-8710-9847; Sefat, Athena/0000-0002-5596-3504
FU U.S. Department of Energy (DOE) [DE-AC05-00OR22725]; Office of Energy
Efficiency and Renewable Energy for the Vehicle Technologies Office's
Applied Battery Research Program; DOE, Basic Energy Sciences, Materials
Sciences and Engineering Division; ORNL's ShaRE User Facility;
Scientific User Facilities Division, Office of Basic Energy Sciences,
DOE; DOE Vehicle Technologies Office (VTO)
FX This research at Oak Ridge National Laboratory, managed by UT Battelle,
LLC, for the U.S. Department of Energy (DOE) under contract
DE-AC05-00OR22725, was sponsored by the Office of Energy Efficiency and
Renewable Energy for the Vehicle Technologies Office's Applied Battery
Research Program (Program Managers: Peter Faguy and David Howell). Part
of this research was supported by the DOE, Basic Energy Sciences,
Materials Sciences and Engineering Division and by ORNL's ShaRE User
Facility, which is sponsored by the Scientific User Facilities Division,
Office of Basic Energy Sciences, DOE. The electrodes were produced at
the DOE's Cell Fabrication Facility, Argonne National Laboratory, by
Andrew Jansen and Bryant Polzin. The Cell Fabrication Facility is fully
supported by the DOE Vehicle Technologies Office (VTO) within the core
funding of the Applied Battery Research (ABR).
NR 51
TC 57
Z9 57
U1 11
U2 116
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
EI 2050-7496
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 20
BP 6249
EP 6261
DI 10.1039/c3ta10304h
PG 13
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 135QH
UT WOS:000318303100018
ER
PT J
AU He, H
Liu, YD
Liu, Q
Li, ZF
Xu, F
Dun, C
Ren, Y
Wang, MX
Xie, J
AF He, Hao
Liu, Yadong
Liu, Qi
Li, Zhefei
Xu, Fan
Dun, Clif
Ren, Yang
Wang, Mei-xian
Xie, Jian
TI Failure Investigation of LiFePO4 Cells in Over-Discharge Conditions
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID LITHIUM-ION BATTERIES; OVERCHARGE REACTION; CAPACITY FADE; CATHODE;
MECHANISMS; SAFETY
AB The failure mechanism of LiFePO4 cells in over-discharge conditions has been systematically studied using commercial A123 18650 cells at a 1.0 C rate and different conditions - from 5% to 20% over-discharge (DOD = 105% to 120%). SEM/EDAX, high-energy synchrotron XRD (HESXRD), and cyclic voltammetry (CV) were used to characterize the morphology, structure, and electrode potentials of cell components both in situ and ex situ. The failure behaviors of A123 18650 cells experiencing different degrees of over-discharge were found to be similar, and the 20% over-discharge process was analyzed as the representative example. The Cu electrochemical potentials in the 1.2 M LiPF6 EC/EMC electrolyte were measured during the charge/over-discharge process using CV, proving that Cu oxidation and reduction in the cell during the charge/over-discharge cycle were theoretically possible to proceed. A possible failure mechanism is proposed: during the over-discharging process, Cu foil oxidized first to Cu+, then to Cu2+ cations; next, these Cu+ and Cu2+ cations diffused to the cathode side from the anode side; and finally, these Cu2+ cations reduced to Cu+ cations, and then reduced further, back to metallic Cu. During charge/over-discharge cycling, Cu dendrites continued growing from the cathode side, penetrating through the separator and forming a copper bridge between the anode and cathode. The copper bridge caused micro-shorting and eventually led to the failure of the cell. During the charge/over-discharge cycles, the continued cell temperature increase at the end of over-discharge is evidence of the micro-shorting. (C) 2013 The Electrochemical Society. All rights reserved.
C1 [He, Hao; Liu, Yadong; Liu, Qi; Li, Zhefei; Xu, Fan; Wang, Mei-xian; Xie, Jian] Indiana Univ Purdue Univ, Purdue Sch Engn & Technol, Dept Mech Engn, Indianapolis, IN 46202 USA.
[Dun, Clif] Indiana Univ, Sch Dent, Indianapolis, IN 46202 USA.
[Ren, Yang] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA.
RP He, H (reprint author), Hunan Univ, Changsha 410082, Hunan, Peoples R China.
EM jianxie@iupui.edu
RI Xu, Fan/L-1114-2013; Li, Zhefei/M-1106-2015
FU U.S. Navy [N00164-09-C-GS42]; U.S. Department of Energy, Office of
Science, Office of Basic Energy Science [DE-AC02-06CH11357]
FX This work was financially supported by the U.S. Navy under contract
N00164-09-C-GS42. The authors would also like to express appreciation to
A123 Systems for providing the 18650 LiFePO4 cells for testing. Use of
the Advanced Photon Source was supported by the U.S. Department of
Energy, Office of Science, Office of Basic Energy Science, under
Contract No. DE-AC02-06CH11357.
NR 17
TC 7
Z9 8
U1 4
U2 64
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2013
VL 160
IS 6
BP A793
EP A804
DI 10.1149/2.039306jes
PG 12
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA 159VF
UT WOS:000320074700006
ER
PT J
AU Liu, B
Abouimrane, A
Ren, Y
Neuefeind, J
Fang, ZGZ
Amine, K
AF Liu, Bo
Abouimrane, Ali
Ren, Yang
Neuefeind, Joerg
Fang, Zhigang Z.
Amine, Khalil
TI Electrochemical Study and Material Characterization of xSiO center
dot(1-x)Sn30Co30C40 Composite Anode Material for Lithium-Ion Batteries
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID TIN-COBALT-CARBON; NEGATIVE-ELECTRODE; ALLOYS; SYSTEM; SN
AB A novel composite anode material, SiO center dot SnxCoyCz, has attracted much attention because of its good cycle life and high capacity. Seven compositions of xSiO center dot(1-x)Sn30Co30C40, where 0 <= x <= 1, were prepared by mechanical ball milling (SPEX). The milled materials were studied by X-ray diffraction (XRD),. pair distribution function (PDF), and electrochemical testing. The XRD and PDF data show that CoSn is the main phase and is detected in all seven samples. As the amount of SiO increases, CoSn2 is formed. Also with increasing SiO, the reversible specific capacity of the composite anode materials increases, but the cycle performance declines. The composition of 50 wt% SiO-50 wt% Sn30Co30C40 gives the best electrochemical performance, a reversible capacity of 633 mAh/g after 50 cycles. X-ray and neutron PDF techniques were used to probe the local structure of as-milled 50 wt% SiO-50 wt% Sn30CO30C40. Ex-situ XRD and PDF study for samples taken at different cutoff voltages reveals a phase transformation during charge/discharge via an intercalation/conversion reaction. The full cell (i.e., Li1.2Ni0.15Co0.10Mn0.55O2 vs. 50 wt% SiO-50 wt% Sn30Co30C40 with solid lithium metallic powder coating) achieves 72% capacity retention in 200 cycles. (C) 2013 The Electrochemical Society. All rights reserved.
C1 [Liu, Bo; Abouimrane, Ali; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Liu, Bo; Fang, Zhigang Z.] Univ Utah, Dept Met Engn, Salt Lake City, UT 84102 USA.
[Ren, Yang] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
[Neuefeind, Joerg] Oak Ridge Natl Lab, Neutron Scattering Sci Directorate, Oak Ridge, TN 37831 USA.
RP Liu, B (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM abouimrane@anl.gov; zak.fang@utah.edu; amine@anl.gov
RI Amine, Khalil/K-9344-2013; Neuefeind, Joerg/D-9990-2015
OI Neuefeind, Joerg/0000-0002-0563-1544
FU Applied Battery Research for Transportation program (Department of
Energy)
FX Funding from the Applied Battery Research for Transportation program
(Department of Energy) is gratefully acknowledged. This work has
benefited from the use of the beamline 11-ID-C at the Advanced Photon
Source. The submitted manuscript has been created by UChicago Argonne,
LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a
U.S. Department of Energy Office of Science laboratory, is operated
under Contract No. DE-AC02-06CH11357. Research conducted at the
Spoliation Neutron Source of Oak Ridge National Laboratory was sponsored
by the Scientific User Facilities Division, Office of Basic Energy
Sciences, U.S. Department of Energy. Cathode material electrode used in
this experiment was produced at the U.S. Department of Energy's (DOE)
Cell Fabrication Facility, Argonne National Laboratory.
NR 25
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U1 0
U2 22
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2013
VL 160
IS 6
BP A882
EP A887
DI 10.1149/2.100306jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA 159VF
UT WOS:000320074700018
ER
PT J
AU Lu, WQ
Wu, QL
Dees, DW
AF Lu, Wenquan
Wu, Qingliu
Dees, Dennis W.
TI Electrochemical Characterization of Lithium and Manganese Rich Composite
Material for Lithium Ion Batteries
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID CATHODE MATERIALS; ELECTRODES; LI2MNO3; LI; MN; NI; CO; COMPLEXITY;
CAPACITY
AB The analysis on the voltage profiles of lithium and manganese rich composite xLi(2)MnO(3)center dot yLiMO(2) based cells within different operating potential windows reveals that the Li2MnO3-like component (originated from activated Li2MnO3 component after initial charge process) is continuously oxidized during the whole charge process. However, this component only makes the capacity contribution as the operating potential is below 3.6 V (vs. Li/Li+) during the discharge process, while the discharge capacity above 3.6 V can be attributed to the other component (LiMO2). Investigations on the single component based cells confirm that the redox potential below 3.5 V (vs. Li/Li+) and the appearance of voltage hysteresis loop with large area comes from the Li2MnO3-like component. (C) 2013 The Electrochemical Society. All rights reserved.
C1 [Lu, Wenquan; Wu, Qingliu; Dees, Dennis W.] Argonne Natl Lab, Electrochem Energy Storage Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Lu, WQ (reprint author), Argonne Natl Lab, Electrochem Energy Storage Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM luw@anl.gov
RI wu, qingliu /C-7631-2012
NR 26
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U1 0
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PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2013
VL 160
IS 6
BP A950
EP A954
DI 10.1149/2.134306jes
PG 5
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA 159VF
UT WOS:000320074700028
ER
PT J
AU Tavassol, H
Chan, MKY
Catarello, MG
Greeley, J
Cahill, DG
Gewirth, AA
AF Tavassol, Hadi
Chan, Maria K. Y.
Catarello, Maria G.
Greeley, Jeffery
Cahill, David G.
Gewirth, Andrew A.
TI Surface Coverage and SEI Induced Electrochemical Surface Stress Changes
during Li Deposition in a Model System for Li-Ion Battery Anodes
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID IN-SITU STRESS; SCANNING-TUNNELING-MICROSCOPY; LITHIUM UNDERPOTENTIAL
DEPOSITION; NEGATIVE ELECTRODE MATERIALS; BEAM DEFLECTION METHOD;
SILICON THIN-FILMS; (111)-TEXTURED AU; GOLD ELECTRODE; NANOGRAVIMETRIC
MEASUREMENTS; COPPER ELECTRODEPOSITION
AB We report electrochemical surface stress and potential dependent matrix assisted laser desorption ionization (MALDI)-time of flight (TOF) mass spectrometry (MS) results combined with detailed density functional theory (DFT) analysis of Li deposition on a Au model system for Li ion battery anodes. Deposition of Li on Au surfaces at potentials >0.2 V -vs. Li/Li+ occurs through the formation of a Li-Au surface alloy, a result that is predicted by DFT calculations. As the Au surface potential becomes more cathodic, compressive stress develops on the surface, a result again predicted from calculation. The compressive stress is completely removed by cycling the potential back to 2.0 V vs. Li/Li+ through delithiation of the surface alloy. Lithiation of the Au electrode during Li bulk alloy formation at potentials <0.2 V vs. Li/Li+ results in compressive stress, as expected. However, in this case residual tensile stress is observed following delithiation, the magnitude of which increases with increasing lithiation/delithiation cycles. Potential dependent MALDI-TOF MS analysis shows that solid electrolyte interphase (SEI) oligomers are formed during delithiation following Li bulk alloy formation and that these oligomers are the likely origin of the observed residual tensile stress. This residual tensile stress is not present when the carbonate solvent is replaced with an ionic liquid. These results show that surface stress is determined by Li-host atomistic interactions as well as the nature of the SEI (C) 2013 The Electrochemical Society. All rights reserved.
C1 [Tavassol, Hadi; Catarello, Maria G.; Gewirth, Andrew A.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA.
[Chan, Maria K. Y.; Greeley, Jeffery] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
[Cahill, David G.] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA.
RP Tavassol, H (reprint author), Univ Illinois, Dept Chem, 1209 W Calif St, Urbana, IL 61801 USA.
EM agewirth@uiuc.edu
RI Cahill, David/B-3495-2014
FU U.S. Department of Energy; Center for Electrical Energy Storage, an
Energy Frontier Research Center; U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences; U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]
FX Financial support from the U.S. Department of Energy is gratefully
acknowledged. This material is based upon work supported as part of the
Center for Electrical Energy Storage, an Energy Frontier Research Center
funded by the U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences. Use of the Center for Nanoscale Materials 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.
NR 84
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U2 148
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2013
VL 160
IS 6
BP A888
EP A896
DI 10.1149/2.068306jes
PG 9
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA 159VF
UT WOS:000320074700019
ER
PT J
AU Xun, SD
Song, XY
Battaglia, V
Liu, G
AF Xun, Shidi
Song, Xiangyun
Battaglia, Vincent
Liu, Gao
TI Conductive Polymer Binder-Enabled Cycling of Pure Tin Nanoparticle
Composite Anode Electrodes for a Lithium-Ion Battery
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID SECONDARY BATTERIES; NEGATIVE ELECTRODES; C COMPOSITE; PERFORMANCE;
OXIDE; NANOSPHERES; STORAGE; ALLOY; FE
AB Pure tin (Sn) nanoparticles can be cycled in stable and high gravimetric capacity (>500 mAh/g) with a polyfluorene-type conductive polymer binder in composite electrodes. Crystalline Sn nanoparticles (<150 nanometers, nm) were used as anode materials in this study. The average diameter of Sn secondary particles is 270 nm, calculated based on BET surface area. The composite electrodes contain a conductive polymer binder that constitutes 2% to 10% of the material, without any conductive additives (e.g., acetylene black). The electrode containing the 5% conductive binder showed the best cycling performance, with a reversible capacity of 510 mAh/g. Crystallinity of Sn particles gradually degrades during cycling, and pulverization of particles was observed after long-term cycling, leading to the capacity fade. The conductive polymer binder shows advantages over other Conventional binders, such as Poly(vinylidene difluoride) (PVDF) and carboxymethylcellulose (CMC) binders, because it can provide electrical conductivity and strong adhesion during Sn volume change. (C) 2013 The Electrochemical Society. All rights reserved.
C1 [Xun, Shidi; Song, Xiangyun; Battaglia, Vincent; Liu, Gao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Xun, SD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM gliu@lbl.gov
RI Foundry, Molecular/G-9968-2014
FU Assistant Secretary for Energy Efficiency, Office of Vehicle
Technologies of the U.S. Department of Energy (U.S. DOE)
[DE-AC02-05CH11231]; University of California, Office of the President
through the University of California Discovery grant; Office of Science,
Office of Basic Energy Sciences, of the U.S. DOE [DE-AC02-05CH11231]
FX This work was funded by the Assistant Secretary for Energy Efficiency,
Office of Vehicle Technologies of the U.S. Department of Energy (U.S.
DOE) under contract no. DE-AC02-05CH11231 under the Batteries for
Advanced Transportation Technologies (BATT) Program, and by the
University of California, Office of the President through the University
of California Discovery grant. TEM was performed at National Center for
Electron Microscopy, funded by Office of Science, Office of Basic Energy
Sciences, of the U.S. DOE under Contract No. DE-AC02-05CH11231.
NR 32
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U1 2
U2 92
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2013
VL 160
IS 6
BP A849
EP A855
DI 10.1149/2.087306jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA 159VF
UT WOS:000320074700013
ER
PT J
AU Li, YH
Gerdes, K
Liu, XB
AF Li, Yihong
Gerdes, Kirk
Liu, Xingbo
TI Oxygen Transport Kinetics in Infiltrated SOFCs Cathode by Electrical
Conductivity Relaxation Technique
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID OXIDE FUEL-CELLS; SURFACE EXCHANGE; DOPED CERIA; PERFORMANCE; LSM;
LA0.6SR0.4COO3-DELTA; ELECTROLYTE; LSCF
AB Infiltration has attracted increasing attention as an effective technique to modify SOFC cathodes to improve cell electrochemical performance while maintaining material compatibility and long-term stability. However, the infiltrated material's effect on oxygen transport is still not clear and detailed knowledge of the oxygen reduction reaction in infiltrated cathodes is lacking. In this work, the technique of electrical conductivity relaxation (ECR) is used to evaluate oxygen exchange in two common infiltrated materials, Ce0.8Sm0.2O1.9 and La0.6Sr0.4CoO3-delta. The ECR technique is also used to examine the transport processes in a composite material formed with a backbone of La0.6Sr0.4Co0.2Fe0.8O3-delta and possessing a thin, dense surface layer composed of the representative infiltrate material. Both the surface oxygen exchange process and the oxygen exchange coefficient at infiltrate/LSCF interface are reported. ECR testing results indicate that the application of infiltrate under certain oxygen partial pressure conditions produces a measureable increase in the fitted oxygen exchange parameter. It is presently only possible to generate hypotheses to explain the observation. However the correlation between improved electrochemical performance and increased oxygen transport measured by ECR is reliably demonstrated. The simple and inexpensive ECR technique is utilized as a direct method to optimize the selection of specific infiltrate/backbone material systems for superior performance. (C) 2013 The Electrochemical Society. All rights reserved.
C1 [Li, Yihong; Gerdes, Kirk; Liu, Xingbo] Natl Energy Technol Lab, Morgantown, WV 26507 USA.
[Li, Yihong; Liu, Xingbo] W Virginia Univ, Dept Mech & Aerosp Engn, Morgantown, WV 26506 USA.
RP Li, YH (reprint author), Natl Energy Technol Lab, Morgantown, WV 26507 USA.
EM xingbo.liu@mail.wvu.edu
FU National Energy Technology Laboratory [DE-AC26-04NT41817]
FX This technical effort was performed in support of the National Energy
Technology Laboratory's on-going research in West Virginia University
under contract #DE-AC26-04NT41817. The valuable technical assistance and
discussion from Mingyang Gong and Greg Collins in WVU are acknowledged.
The assistance of Richard Pineault, David Ruehl and Randall Gemmen from
NETL in Morgantown, WV are highly appreciated.
NR 29
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PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2013
VL 160
IS 6
BP F554
EP F559
DI 10.1149/2.056306jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA 159VF
UT WOS:000320074700078
ER
PT J
AU Matanovic, I
Kent, PRC
Garzon, FH
Henson, NJ
AF Matanovic, I.
Kent, P. R. C.
Garzon, F. H.
Henson, N. J.
TI Density Functional Study of the Structure, Stability and Oxygen
Reduction Activity of Ultrathin Platinum Nanowires
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE
METHOD; AB-INITIO; GOLD NANOWIRES; TRANSITION-METALS; SILVER NANOWIRES;
BASIS-SET; ELECTROCATALYSTS; NANOPARTICLES
AB We used density functional theory to study the difference in the structure, stability and catalytic reactivity between ultrathin, 0.5-1.0 nm diameter, platinum nanotubes and nanowires. Model nanowires were formed by inserting an inner chain of platinum atoms in small diameter nanotubes. In this way more stable, non-hollow structures were formed. The difference in the electronic structure of platinum nanotubes and nanowires was examined by inspecting the density of surface states and band structure. Furthermore, reactivity toward the oxygen reduction reaction of platinum nanowires was assessed by studying the change in the chemisorption energies of oxygen, hydroxyl, and hydroperoxyl groups, induced by converting the nanotube models to nanowires. Both ultrathin platinum nanotubes and nanowires show distinct properties compared to bulk platinum. Single-wall nanotubes and platinum nanowires with diameters larger than 1 nm show promise for use as oxygen reduction catalysts. (C) 2013 The Electrochemical Society. All rights reserved.
C1 [Matanovic, I.; Henson, N. J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Kent, P. R. C.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Kent, P. R. C.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
[Garzon, F. H.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
RP Matanovic, I (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM ivana@lanl.gov
RI Kent, Paul/A-6756-2008;
OI Kent, Paul/0000-0001-5539-4017; Henson, Neil/0000-0002-1842-7884
FU LANL LDRD; U.S. Department of Energy, Energy Efficiency and Renewable
Energy; Office of Science of the U.S. Department of Energy
[DE-AC02-05CH11231]; CNMS; U.S. Department of Energy
[DE-AC52-06NA25396]; EMSL; Department of Energy's Office of Biological
and Environmental Research
FX I.M. thanks the LANL LDRD program for a postdoctoral fellowship, U.S.
Department of Energy, Energy Efficiency and Renewable Energy for
financial support. Part of the computational work was performed using
computational resources of NERSC, supported by the Office of Science of
the U.S. Department of Energy under Contract No. DE-AC02-05CH11231,
CNMS, sponsored at Oak Ridge National Laboratory by the Scientific User
Facilities Division, Office of Basic Energy Sciences, U.S. Department of
Energy and EMSL, a national scientific user facility sponsored by the
Department of Energy's Office of Biological and Environmental Research
and located at Pacific Northwest National Laboratory.; Los Alamos
National Laboratory is operated by Los Alamos National Security, LLC for
the National Nuclear Security Administration of the U.S. Department of
Energy under contract DE-AC52-06NA25396. This paper has been designated
LA-UR-12-22233.
NR 43
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U1 0
U2 23
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2013
VL 160
IS 6
BP F548
EP F553
DI 10.1149/2.047306jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA 159VF
UT WOS:000320074700077
ER
PT J
AU Mishler, J
Wang, Y
Lujan, R
Mukundan, R
Borup, RL
AF Mishler, Jeffrey
Wang, Yun
Lujan, Roger
Mukundan, Rangachary
Borup, Rodney L.
TI An Experimental Study of Polymer Electrolyte Fuel Cell Operation at
Sub-Freezing Temperatures
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID COLD-START; BEHAVIOR; MODEL; LAYER
AB The ability of polymer electrolyte fuel cells (PEFCs) to startup at subfreezing temperatures is governed by whether it is able to overcome the freezing point (0 degrees C) before product ice prevents the electrochemical reactions. In this work, we experimentally investigated the coulombs of charge Q(c) transferred in PEFCs under subfreezing operation before the output voltage drops to 0.0 V. PEFCs with various membranes and catalyst-layer thicknesses, ionomer-carbon ratios, operating current density, and initial hydration of PEFCs were studied, and their influences on cold-start performance and coulombs of charge were experimentally measured. We find that subfreezing temperature, ionomer-catalyst ratio, and catalyst-layer thickness, significantly affect the amount of charge transferred before operational failure, whereas the membrane thickness and initial hydration level have limited effect for the considered cases. (C) 2013 The Electrochemical Society. All rights reserved.
C1 [Mishler, Jeffrey; Wang, Yun] Univ Calif Irvine, Dept Mech & Aerosp Engn, Renewable Energy Resources Lab, Irvine, CA 92697 USA.
[Lujan, Roger; Mukundan, Rangachary; Borup, Rodney L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Mishler, J (reprint author), Univ Calif Irvine, Dept Mech & Aerosp Engn, Renewable Energy Resources Lab, Irvine, CA 92697 USA.
EM yunw@uci.edu
OI Mukundan, Rangachary/0000-0002-5679-3930
FU Fuel Cell Technologies Program at the U.S. Department of Energy - Energy
Efficiency and Renewable Energy
FX The authors express their thanks to all those who assisted in the
writing of this paper. This work was supported by the Fuel Cell
Technologies Program at the U.S. Department of Energy - Energy
Efficiency and Renewable Energy, Technology Development Manager: Nancy
Garland.
NR 21
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U1 2
U2 15
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2013
VL 160
IS 6
BP F514
EP F521
DI 10.1149/2.051306jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA 159VF
UT WOS:000320074700074
ER
PT J
AU Ford, DC
Cooper, C
Cooley, LD
Thompson, C
Bouchard, D
Albee, B
Bishnoi, S
AF Ford, Denise C.
Cooper, Charlie
Cooley, Lance D.
Thompson, Chad
Bouchard, Donald
Albee, Brian
Bishnoi, Sandra
TI Chemical Analysis of Fluorine in Niobium Electropolishing
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID HYDROFLUORIC ACID; MECHANISM; CAVITIES; SPECTRA; RAMAN
AB Surface topography and chemical purity are important factors in niobium superconducting radio-frequency (SRF) cavity performance. Electropolishing (EP) is currently being used to minimize the surface roughness and to remove the damaged surface layer created during cavity manufacturing. This process is not ideal for reasons such as safety and performance consistency, so research and development is ongoing. Furthermore, the EP process specifications have been developed empirically, and a molecular level understanding of the process is not complete. The currently employed polishing solution is composed of sulfuric and hydrofluoric acids, where the fluorine ion is active in polishing the niobium. We used vibrational and nuclear magnetic resonance (NMR) spectroscopies to analyze the standard solution, and show that fluorine is bound and released by the reaction of the acid components in the solution: HF + H2SO4 <-> HFSO3 + H2O. This result implies that new recipes can possibly be developed on the principle of controlled release of fluorine by a chemical reaction, which provides a route to improve the safety and effectiveness of EP. We also show that NMR or Raman spectroscopy can be used to monitor the free fluorine when polishing with the standard EP recipe. (C) 2013 The Electrochemical Society. All rights reserved.
C1 [Ford, Denise C.; Cooper, Charlie; Cooley, Lance D.; Thompson, Chad] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
[Ford, Denise C.] Northwestern Univ, Evanston, IL 60208 USA.
[Bouchard, Donald] Anasazi Instruments Inc, Indianapolis, IN 46203 USA.
[Albee, Brian; Bishnoi, Sandra] IIT, Chicago, IL 60616 USA.
RP Ford, DC (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
EM deniseford@u.northwestern.edu
RI Cooley, Lance/E-7377-2015
OI Cooley, Lance/0000-0003-3488-2980
FU U.S. Department of Energy [DE-AC02-07CH11359]
FX This work was supported in part by the U.S. Department of Energy under
Contract No. DE-AC02-07CH11359. We are grateful to D. N. Seidman for
reading the manuscript.
NR 23
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U1 0
U2 5
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PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2013
VL 160
IS 6
BP H398
EP H403
DI 10.1149/2.144306jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA 159VF
UT WOS:000320074700119
ER
PT J
AU Deblonde, GJP
Sturzbecher-Hoehne, M
Mason, AB
Abergel, RJ
AF Deblonde, Gauthier J. -P.
Sturzbecher-Hoehne, Manuel
Mason, Anne B.
Abergel, Rebecca J.
TI Receptor recognition of transferrin bound to lanthanides and actinides:
a discriminating step in cellular acquisition of f-block metals
SO METALLOMICS
LA English
DT Article
ID HUMAN-SERUM; ENDOSOMAL PH; IRON RELEASE; BINDING; MECHANISM;
DECORPORATION; COMPLEXATION; SPECIATION; PLUTONIUM; TRANSPORT
AB Following an internal contamination event, the transport of actinide (An) and lanthanide (Ln) metal ions through the body is facilitated by endogenous ligands such as the human iron-transport protein transferrin (Tf). The recognition of resulting metallo-transferrin complexes (M2Tf) by the cognate transferrin receptor (TfR) is therefore a critical step for cellular uptake of these metal ions. A high performance liquid chromatography-based method has been used to probe the binding of M2Tf with TfR, yielding a direct measurement of the successive thermodynamic constants that correspond to the dissociation of TfR(M2Tf)(2) and TfR(M2Tf) complexes for Fe3+, Ga3+, La3+, Nd3+, Gd3+, Yb3+, Lu3+, Th-232(4+), (UO22+)-U-238, and Pu-242(4+). Important features of this method are (i) its ability to distinguish both 1:1 and 1:2 complexes formed between the receptor and the metal-bound transferrin, and (ii) the requirement for very small amounts of each binding partner (<1 nmol of protein per assay). Consistent with previous reports, the strongest receptor affinity is found for Fe2Tf (K-d1 = 5 nM and K-d2 = 20 nM), while the lowest affinity was measured for Pu2Tf (K-d1 = 0.28 mu M and K-d2 = 1.8 mu M) binding to the TfR. Other toxic metal ions such as Th-IV and U-VI, when bound to Tf, are well recognized by the TfR. Under the described experimental conditions, the relative stabilities of TfR:(MxTf)(y) adducts follow the order Fe3+ >> Th4+ similar to UO22+ similar to Cm3+ > Ln(3+) similar to Ga3+ >>> Yb3+ similar to Pu4+. This study substantiates a role for Tf in binding lanthanide fission products and actinides, and transporting them into cells by receptor-mediated endocytosis.
C1 [Deblonde, Gauthier J. -P.; Sturzbecher-Hoehne, Manuel; Abergel, Rebecca J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Glenn T Seaborg Ctr, Div Chem Sci, Berkeley, CA 94720 USA.
[Mason, Anne B.] Univ Vermont, Coll Med, Dept Biochem, Burlington, VT 05405 USA.
RP Abergel, RJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Glenn T Seaborg Ctr, Div Chem Sci, Berkeley, CA 94720 USA.
EM rjabergel@lbl.gov
RI Deblonde, Gauthier/O-3881-2014
OI Deblonde, Gauthier/0000-0002-0825-8714
FU National Institutes of Health [RAI087604Z]; Laboratory Directed Research
and Development Program at Lawrence Berkeley National Laboratory
[DE-AC02-05CH11231]; U.S. Public Service Grant [R01 DK 21739]
FX Instrument acquisition and method development for the chromatography
assays were supported by the National Institutes of Health (R.J.A.,
RAI087604Z); the experimental work on lanthanide and actinide protein
interactions was supported by the Laboratory Directed Research and
Development Program at Lawrence Berkeley National Laboratory under
Contract No. DE-AC02-05CH11231 (R.J.A.), and by a U.S. Public Service
Grant (A.B.M., R01 DK 21739).
NR 37
TC 10
Z9 10
U1 2
U2 36
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1756-5901
J9 METALLOMICS
JI Metallomics
PY 2013
VL 5
IS 6
BP 619
EP 626
DI 10.1039/c3mt20237b
PG 8
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA 155VU
UT WOS:000319777300004
PM 23446908
ER
PT J
AU Kozer, N
Barua, D
Orchard, S
Nice, EC
Burgess, AW
Hlavacek, WS
Clayton, AHA
AF Kozer, Noga
Barua, Dipak
Orchard, Suzanne
Nice, Eduoard C.
Burgess, Antony W.
Hlavacek, William S.
Clayton, Andrew H. A.
TI Exploring higher-order EGFR oligomerisation and phosphorylation-a
combined experimental and theoretical approach
SO MOLECULAR BIOSYSTEMS
LA English
DT Article
ID EPIDERMAL-GROWTH-FACTOR; RECEPTOR TYROSINE KINASES; IMAGE CORRELATION
SPECTROSCOPY; PLASMA-MEMBRANE; CELL-SURFACE; LIGAND-BINDING; LIVING
CELLS; SIGNALING COMPLEXES; CRYSTAL-STRUCTURE; LOW-AFFINITY
AB The epidermal growth factor receptor ( EGFR) kinase is generally considered to be activated by either ligand-induced dimerisation or a ligand-induced conformational change within pre-formed dimers. Ligand-induced higher-order EGFR oligomerisation or clustering has been reported but it is not clear how EGFR oligomers, as distinct from EGFR dimers, influence signaling outputs. To address this question, we combined measures of receptor clustering (microscopy; image correlation spectroscopy) and phosphorylation (Western blots) with modelling of mass-action chemical kinetics. A stable BaF/3 cell-line that contains a high proportion (>90%) of inactive dimers of EGFR-eGFP but no secreted ligand and no other detectable ErbB receptors was used as the model cell system. EGF at concentrations of greater than 1 nM was found to cluster EGFR-eGFP dimers into higher-order complexes and cause parallel increases in EGFR phosphorylation. The kinetics of EGFR clustering and phosphorylation were both rapid, plateauing within 2 minutes after stimulation with 30 nM EGF. A rule-based model was formulated to interpret the data. This model took into account ligand binding, ligand-induced conformational changes in the cytosolic tail, monomer-dimer-trimer-tetramer transitions via ectodomain- and kinase-mediated interactions, and phosphorylation. The model predicts that cyclic EGFR tetramers are the predominant phosphorylated species, in which activated receptor dimers adopt a cyclic side-by-side orientation, and that receptor kinase activation is stabilised by the intramolecular interactions responsible for cyclic tetramerization.
C1 [Kozer, Noga; Clayton, Andrew H. A.] Swinburne Univ Technol, Cell Biophys Lab, Fac Engn & Ind Sci, Ctr Microphoton, Hawthorn, Vic 3122, Australia.
[Barua, Dipak; Hlavacek, William S.] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Div Theoret, Los Alamos, NM 87545 USA.
[Barua, Dipak; Hlavacek, William S.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
[Orchard, Suzanne; Nice, Eduoard C.; Burgess, Antony W.] Royal Melbourne Hosp, Ludwig Inst Canc Res, Melbourne Parkville Branch, Melbourne, Vic 3050, Australia.
[Nice, Eduoard C.] Monash Univ, Dept Biochem, Clayton, Vic 3080, Australia.
RP Hlavacek, WS (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Div Theoret, Mail Stop K710, Los Alamos, NM 87545 USA.
EM tburgess@wehi.edu.au; wish@lanl.gov; aclayton@swin.edu.au
RI Clayton, Andrew/I-1454-2013;
OI Hlavacek, William/0000-0003-4383-8711
FU Australian NHMRC [433624]; NHMRC [487922]; NIH [P50 GM085273]; DOE
[DE-AC52-06NA25396]
FX This work was partially supported by Australian NHMRC Project Grant no.
433624, NHMRC program Grant no. 487922, NIH grant P50 GM085273, and DOE
contract DE-AC52-06NA25396.
NR 67
TC 17
Z9 17
U1 0
U2 20
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1742-206X
EI 1742-2051
J9 MOL BIOSYST
JI Mol. Biosyst.
PY 2013
VL 9
IS 7
BP 1849
EP 1863
DI 10.1039/c3mb70073a
PG 15
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA 157FU
UT WOS:000319882200031
PM 23629589
ER
PT J
AU Manera, M
Scoccimarro, R
Percival, WJ
Samushia, L
McBride, CK
Ross, AJ
Sheth, RK
White, M
Reid, BA
Sanchez, AG
de Putter, R
Xu, XY
Berlind, AA
Brinkmann, J
Maraston, C
Nichol, B
Montesano, F
Padmanabhan, N
Skibba, RA
Tojeiro, R
Weaver, BA
AF Manera, Marc
Scoccimarro, Roman
Percival, Will J.
Samushia, Lado
McBride, Cameron K.
Ross, Ashley J.
Sheth, Ravi K.
White, Martin
Reid, Beth A.
Sanchez, Ariel G.
de Putter, Roland
Xu, Xiaoying
Berlind, Andreas A.
Brinkmann, Jonathan
Maraston, Claudia
Nichol, Bob
Montesano, Francesco
Padmanabhan, Nikhil
Skibba, Ramin A.
Tojeiro, Rita
Weaver, Benjamin A.
TI The clustering of galaxies in the SDSS-III Baryon Oscillation
Spectroscopic Survey: a large sample of mock galaxy catalogues
SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
LA English
DT Article
DE galaxies: haloes; large-scale structure of Universe
ID DIGITAL SKY SURVEY; COLD DARK-MATTER; HALO OCCUPATION DISTRIBUTION;
POWER-SPECTRUM ANALYSIS; LARGE-SCALE STRUCTURE;
GRAVITATIONAL-INSTABILITY; REDSHIFT-SPACE; COSMOLOGICAL IMPLICATIONS;
ACOUSTIC-OSCILLATIONS; LAGRANGIAN APPROACH
AB We present a fast method for producing mock galaxy catalogues that can be used to compute the covariance of large-scale clustering measurements and test analysis techniques. Our method populates a second-order Lagrangian perturbation theory (2LPT) matter field, where we calibrate masses of dark matter haloes by detailed comparisons with N-body simulations. We demonstrate that the clustering of haloes is recovered at similar to 10 per cent accuracy. We populate haloes with mock galaxies using a halo occupation distribution (HOD) prescription, which has been calibrated to reproduce the clustering measurements on scales between 30 and 80 h(-1) Mpc. We compare the sample covariance matrix from our mocks with analytic estimates, and discuss differences. We have used this method to make catalogues corresponding to Data Release 9 of the Baryon Oscillation Spectroscopic Survey (BOSS), producing 600 mock catalogues of the 'CMASS' galaxy sample. These mocks have enabled detailed tests of methods and errors, and have formed an integral part of companion analyses of these galaxy data.
C1 [Manera, Marc; Percival, Will J.; Samushia, Lado; Ross, Ashley J.; Maraston, Claudia; Nichol, Bob; Tojeiro, Rita] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England.
[Scoccimarro, Roman; Weaver, Benjamin A.] NYU, Ctr Cosmol & Particle Phys, New York, NY USA.
[McBride, Cameron K.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA.
[Sheth, Ravi K.] Abdus Salam Int Ctr Theoret Phys, I-34151 Trieste, Italy.
[Sheth, Ravi K.] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA.
[White, Martin] Univ Calif Berkeley, Dept Phys & Astron, Berkeley, CA 94720 USA.
[White, Martin; Reid, Beth A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Sanchez, Ariel G.; Montesano, Francesco] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany.
[de Putter, Roland] Univ Valencia, CSIC, Inst Fis Corpuscular, E-46071 Valencia, Spain.
[de Putter, Roland] Univ Barcelona IEEC UB, Inst Cincies Cosmos, E-08028 Barcelona, Spain.
[Xu, Xiaoying; Skibba, Ramin A.] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA.
[Berlind, Andreas A.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA.
[Brinkmann, Jonathan] Apache Point Observ, Sunspot, NM 88349 USA.
[Padmanabhan, Nikhil] Yale Univ, Dept Phys, New Haven, CT 06520 USA.
RP Manera, M (reprint author), Univ Portsmouth, Inst Cosmol & Gravitat, Dennis Sciama Bldg, Portsmouth PO1 3FX, Hants, England.
EM marc.manera@port.ac.uk
RI White, Martin/I-3880-2015
OI White, Martin/0000-0001-9912-5070
FU European Research Council; Alfred P. Sloan Foundation; National Science
Foundation; US Department of Energy Office of Science; ICG; SEPNet;
University of Portsmouth; STFC; HEFCE; SGI; NSF [AST-0607747];
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; Instituto de Astrofisica de
Canarias; 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; Princeton University; Spanish
Participation Group; University of Tokyo; University of Utah; Vanderbilt
University; University of Virginia; University of Washington; Yale
University
FX MM acknowledges support from European Research Council. Funding for
SDSS-III has been provided by the Alfred P. Sloan Foundation, the
Participating Institutions, the National Science Foundation, and the US
Department of Energy Office of Science. The SDSS-III website 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. The analysis made use of the computing resources of
the National Energy Research Scientific Computing Center, the Shared
Research Computing Services Pilot of the University of California and
the Laboratory Research Computing project at Lawrence Berkeley National
Laboratory.; Part of the numerical computations and analyses were done
on the Sciama High Performance Compute (HPC) cluster which is supported
by the ICG, SEPNet and the University of Portsmouth. MM thanks Gary
Burton and David Bacon for designing the system and for their help when
running the mocks. Parts of the process were performed on the COSMOS
supercomputer which is funded by STFC, HEFCE and SGI. This research was
partially supported by grant NSF AST-0607747
NR 79
TC 98
Z9 98
U1 0
U2 6
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0035-8711
J9 MON NOT R ASTRON SOC
JI Mon. Not. Roy. Astron. Soc.
PD JAN
PY 2013
VL 428
IS 2
BP 1036
EP 1054
DI 10.1093/mnras/sts084
PG 19
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA 134QO
UT WOS:000318229000007
ER
PT J
AU Ross, AJ
Percival, WJ
Carnero, A
Zhao, GB
Manera, M
Raccanelli, A
Aubourg, E
Bizyaev, D
Brewington, H
Brinkmann, J
Brownstein, JR
Cuesta, AJ
da Costa, LAN
Eisenstein, DJ
Ebelke, G
Guo, H
Hamilton, JC
Magana, MV
Malanushenko, E
Malanushenko, V
Maraston, C
Montesano, F
Nichol, RC
Oravetz, D
Pan, KK
Prada, F
Sanchez, AG
Samushia, L
Schlegel, DJ
Schneider, DP
Seo, HJ
Sheldon, A
Simmons, A
Snedden, S
Swanson, MEC
Thomas, D
Tinker, JL
Tojeiro, R
Zehavi, I
AF Ross, Ashley J.
Percival, Will J.
Carnero, Aurelio
Zhao, Gong-bo
Manera, Marc
Raccanelli, Alvise
Aubourg, Eric
Bizyaev, Dmitry
Brewington, Howard
Brinkmann, J.
Brownstein, Joel R.
Cuesta, Antonio J.
da Costa, Luiz A. N.
Eisenstein, Daniel J.
Ebelke, Garrett
Guo, Hong
Hamilton, Jean-Christophe
Magana, Mariana Vargas
Malanushenko, Elena
Malanushenko, Viktor
Maraston, Claudia
Montesano, Francesco
Nichol, Robert C.
Oravetz, Daniel
Pan, Kaike
Prada, Francisco
Sanchez, Ariel G.
Samushia, Lado
Schlegel, David J.
Schneider, Donald P.
Seo, Hee-Jong
Sheldon, Alaina
Simmons, Audrey
Snedden, Stephanie
Swanson, Molly E. C.
Thomas, Daniel
Tinker, Jeremy L.
Tojeiro, Rita
Zehavi, Idit
TI The clustering of galaxies in the SDSS-III DR9 Baryon Oscillation
Spectroscopic Survey: constraints on primordial non-Gaussianity
SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
LA English
DT Article
DE cosmology: observations; (cosmology:) inflation; (cosmology:)
large-scale structure of Universe
ID DIGITAL-SKY-SURVEY; LUMINOUS RED GALAXIES; SURVEY IMAGING DATA; DATA
RELEASE; ACOUSTIC-OSCILLATIONS; REDSHIFT SURVEYS; BIAS; EVOLUTION;
QUASARS; PROBE
AB We analyse the density field of 264 283 galaxies observed by the Sloan Digital Sky Survey (SDSS)-III Baryon Oscillation Spectroscopic Survey (BOSS) and included in the SDSS Data Release 9 (DR9). In total, the SDSS DR9 BOSS data include spectroscopic redshifts for over 400 000 galaxies spread over a footprint of more than 3000 deg(2). We measure the power spectrum of these galaxies with redshifts 0.43 < z < 0.7 in order to constrain the amount of local non-Gaussianity, f(NL)(local), in the primordial density field, paying particular attention to the impact of systematic uncertainties. The BOSS galaxy density field is systematically affected by the local stellar density and this influences the ability to accurately measure f(NL)(local). In the absence of any correction, we find (erroneously) that the probability that f(NL)(local) is greater than zero, P(f(NL)(local) > 0), is 99.5 per cent. After quantifying and correcting for the systematic bias and including the added uncertainty, we find -45 < f(NL)(local) < 195 at 95 per cent confidence and P(f(NL)(local) > 0) = 91.0 per cent. A more conservative approach assumes that we have only learnt the k dependence of the systematic bias and allows any amplitude for the systematic correction; we find that the systematic effect is not fully degenerate with that of f(NL)(local), and we determine that - 82 < f(NL)(local) < 178 (at 95 per cent confidence) and P(f(NL)(local) > 0) = 68 per cent. This analysis demonstrates the importance of accounting for the impact of Galactic foregrounds on f(NL)(local) measurements. We outline the methods that account for these systematic biases and uncertainties. We expect our methods to yield robust constraints on f(NL)(local) for both our own and future large-scale structure investigations.
C1 [Ross, Ashley J.; Percival, Will J.; Zhao, Gong-bo; Manera, Marc; Raccanelli, Alvise; Maraston, Claudia; Nichol, Robert C.; Samushia, Lado; Thomas, Daniel; Tojeiro, Rita] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England.
[Carnero, Aurelio; da Costa, Luiz A. N.] Observ Nacl, BR-20921400 Rio De Janeiro, RJ, Brazil.
[Carnero, Aurelio; da Costa, Luiz A. N.] Lab Interinst E Astron LineA, BR-20921400 Rio De Janeiro, RJ, Brazil.
[Raccanelli, Alvise] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA.
[Raccanelli, Alvise] CALTECH, Pasadena, CA 91125 USA.
[Aubourg, Eric] Univ Paris Diderot, APC, CNRS IN2P3, CEA Irfu,Obs Paris,Sorbonne Paris Cite, Paris, France.
[Bizyaev, Dmitry; Brewington, Howard; Brinkmann, J.; Ebelke, Garrett; Malanushenko, Elena; Malanushenko, Viktor; Oravetz, Daniel; Pan, Kaike; Sheldon, Alaina; Simmons, Audrey; Snedden, Stephanie] Apache Point Observ, Sunspot, NM 88349 USA.
[Brownstein, Joel R.] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA.
[Cuesta, Antonio J.] Yale Univ, Yale Ctr Astron & Astrophys, New Haven, CT 06511 USA.
[Eisenstein, Daniel J.; Swanson, Molly E. C.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA.
[Guo, Hong; Zehavi, Idit] Case Western Reserve Univ, Dept Astron, Cleveland, OH 44106 USA.
[Hamilton, Jean-Christophe; Magana, Mariana Vargas] Univ Paris 07, APC, CNRS IN2P3, CEA,Observ Paris, Paris, France.
[Montesano, Francesco; Sanchez, Ariel G.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany.
[Prada, Francisco] Campus Int Excellence UAM CSIC, E-28049 Madrid, Spain.
[Prada, Francisco] Univ Autonoma Madrid, Inst Fis Teor UAM CSIC, E-28049 Madrid, Spain.
[Samushia, Lado] Ilia State Univ, Natl Abastumani Astrophys Observ, GE-1060 Tbilisi, Rep of Georgia.
[Schlegel, David J.] 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.
[Seo, Hee-Jong] Univ Calif Berkeley, Berkeley Ctr Cosmol Phys, LBL, Berkeley, CA 94720 USA.
[Seo, Hee-Jong] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Tinker, Jeremy L.] NYU, Ctr Cosmol & Particle Phys, York, NY 10003 USA.
RP Ross, AJ (reprint author), Univ Portsmouth, Inst Cosmol & Gravitat, Dennis Sciama Bldg, Portsmouth PO1 3FX, Hants, England.
EM ashley.ross@port.ac.uk
RI Guo, Hong/J-5797-2015;
OI Guo, Hong/0000-0003-4936-8247; Raccanelli, Alvise/0000-0001-6726-0438;
Cuesta Vazquez, Antonio Jose/0000-0002-4153-9470
FU UK Science and Technology Facilities Council [ST/I001204/1]; UK Science
and Technology Facilities Research Council; European Research Council;
National Aeronautics and Space Administration; Alfred P. Sloan
Foundation; National Science Foundation; US Department of Energy Office
of Science; University of Arizona; Brazilian Participation Group;
Brookhaven National Laboratory; Cambridge University; Carnegie Mellon
University; Case Western University; University of Florida; Fermilab;
French Participation Group; German Participation Group; Harvard
University; UC Irvine; Instituto de Astrofisica de Andalucia; Instituto
de Astrofisica de Canarias; Institucio Catalana de Recerca y Estudis
Avancat, Barcelona; Instituto de Fisica Corpuscular; Michigan
State/Notre Dame/JINA Participation Group; Johns Hopkins University;
Korean Institute for Advanced Study; 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 Pittburgh; University of Portsmouth; Princeton University;
UC Santa Cruz; Spanish Participation Group; Texas Christian University;
Trieste Astrophysical Observatory; University of Tokyo/IPMU; University
of Utah; Vanderbilt University; University of Virginia; University of
Washington; University of Wisconson; Yale University
FX We thank the anonymous referee for comments that helped improve this
paper. AJR is grateful to the UK Science and Technology Facilities
Council for financial support through the grant ST/I001204/1. WJP is
grateful for support from the UK Science and Technology Facilities
Research Council and the European Research Council.; Part of the
research described in this paper was carried out at the JetPropulsion
Laboratory, California Institute of Technology, under a contract with
the National Aeronautics and Space Administration. Funding for SDSS-III
has been provided by the Alfred P. Sloan Foundation, the Participating
Institutions, the National Science Foundation and the US Department of
Energy Office of Science. The SDSS-III website 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, Cambridge
University, Carnegie Mellon University, Case Western University,
University of Florida, Fermilab, the French Participation Group, the
German Participation Group, Harvard University, UC Irvine, Instituto de
Astrofisica de Andalucia, Instituto de Astrofisica de Canarias,
Institucio Catalana de Recerca y Estudis Avancat, Barcelona, Instituto
de Fisica Corpuscular, the Michigan State/Notre Dame/JINA Participation
Group, Johns Hopkins University, Korean Institute for Advanced Study,
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 Pittburgh, University of
Portsmouth, Princeton University, UC Santa Cruz, the Spanish
Participation Group, Texas Christian University, Trieste Astrophysical
Observatory, University of Tokyo/IPMU, University of Utah, Vanderbilt
University, University of Virginia, University of Washington, University
of Wisconson and Yale University.
NR 64
TC 46
Z9 46
U1 1
U2 5
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0035-8711
J9 MON NOT R ASTRON SOC
JI Mon. Not. Roy. Astron. Soc.
PD JAN
PY 2013
VL 428
IS 2
BP 1116
EP 1127
DI 10.1093/mnras/sts094
PG 12
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA 134QO
UT WOS:000318229000012
ER
PT J
AU Comparat, J
Kneib, JP
Escoffier, S
Zoubian, J
Ealet, A
Lamareille, F
Mostek, N
Steele, O
Aubourg, E
Bailey, S
Bolton, AS
Brownstein, J
Dawson, K
Ge, J
Ilbert, O
Leauthaud, A
Maraston, C
Percival, W
Ross, NP
Schimd, C
Schlegel, DJ
Schneider, DP
Thomas, D
Tinker, JL
Weaver, BA
AF Comparat, Johan
Kneib, Jean-Paul
Escoffier, Stephanie
Zoubian, Julien
Ealet, Anne
Lamareille, Fabrice
Mostek, N.
Steele, Oliver
Aubourg, Eric
Bailey, Stephen
Bolton, Adam S.
Brownstein, Joel
Dawson, Kyle
Ge, Jian
Ilbert, Olivier
Leauthaud, Alexie
Maraston, Claudia
Percival, Will
Ross, Nicholas P.
Schimd, Carlo
Schlegel, David J.
Schneider, Donald P.
Thomas, Daniel
Tinker, Jeremy L.
Weaver, Benjamin A.
TI Investigating emission-line galaxy surveys with the Sloan Digital Sky
Survey infrastructure
SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
LA English
DT Article
DE cosmology: observations; large-scale structure of Universe; galaxies:
abundances
ID HUBBLE-SPACE-TELESCOPE; STAR-FORMING GALAXIES; DARK ENERGY SURVEY; VLT
DEEP SURVEY; OBSERVATIONS COSMOLOGICAL INTERPRETATION; BARYON
ACOUSTIC-OSCILLATIONS; PHOTOMETRIC REDSHIFTS; DATA RELEASE; METALLICITY
RELATION; TARGET SELECTION
AB The baryon acoustic oscillation (BAO) feature in the power spectrum of galaxies provides a standard ruler to probe the accelerated expansion of the Universe. The current surveys covering a comoving volume sufficient to unveil the BAO scale are limited to redshift z less than or similar to 0.7. In this paper, we study several galaxy selection schemes aiming at building an emission-line galaxy (ELG) sample in the redshift range 0.6 < z < 1.7 that would be suitable for future BAO studies using the Baryonic Oscillation Spectroscopic Survey (BOSS) spectrograph on the Sloan Digital Sky Survey (SDSS) telescope. We explore two different colour selections using both the SDSS and the Canada-France-Hawaii Telescope Legacy Survey (CFHT-LS) photometry in the u, g, r and i bands and evaluate their performance selecting luminous ELGs. From about 2000 ELGs, we identified a selection scheme that has a 75 per cent redshift measurement efficiency. This result confirms the feasibility of massive ELG surveys using the BOSS spectrograph on the SDSS telescope for a BAO detection at z similar to 1, in particular the proposed eBOSS experiment, which plans to use the SDSS telescope to combine the use of the BAO ruler with redshift space distortions using ELGs and quasars in the redshift range 0.6 < z < 2.2.
C1 [Comparat, Johan; Kneib, Jean-Paul; Zoubian, Julien; Ilbert, Olivier; Schimd, Carlo] Aix Marseille Univ, CNRS, LAM, UMR 7326, F-13388 Marseille, France.
[Escoffier, Stephanie; Ealet, Anne] Univ Aix Marseille, CNRS, IN2P3, Ctr Phys Particules Marseille, F-13288 Marseille, France.
[Lamareille, Fabrice] Univ Toulouse, UPS OMP, IRAP, F-31400 Toulouse, France.
[Lamareille, Fabrice] CNRS, IRAP, F-31400 Toulouse, France.
[Mostek, N.; Bailey, Stephen; Dawson, Kyle; Ross, Nicholas P.; Schlegel, David J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Steele, Oliver; Maraston, Claudia; Percival, Will; Thomas, Daniel] Univ Portsmouth, ICG, Portsmouth PO1 3FX, Hants, England.
[Aubourg, Eric] Univ Paris Diderot, CNRS, IN2P3, APC, F-75205 Obs De Paris, Sorbonne Paris, France.
[Bolton, Adam S.; Brownstein, Joel] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA.
[Ge, Jian] Univ Florida, Dept Astron, Gainesville, FL 32611 USA.
[Leauthaud, Alexie] Univ Tokyo, Universe IPMU, Inst Phys & Math, Chiba 2778582, Japan.
[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.
[Tinker, Jeremy L.; Weaver, Benjamin A.] NYU, Ctr Cosmol & Particle Phys, New York, NY 10003 USA.
RP Comparat, J (reprint author), Aix Marseille Univ, CNRS, LAM, UMR 7326, F-13388 Marseille, France.
EM johan.comparat@oamp.fr
RI Kneib, Jean-Paul/A-7919-2015;
OI Kneib, Jean-Paul/0000-0002-4616-4989; Escoffier,
Stephanie/0000-0002-2847-7498
FU Alfred P. Sloan Foundation; National Science Foundation; US 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;
Instituto de Astrofisica de Canarias; 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;
Agence Nationale de la Recherche [ANR-08-BLAN-0222]
FX Funding for SDSS-III has been provided by the Alfred P. Sloan
Foundation, the Participating Institutions, the National Science
Foundation and the US 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.; The BOSS French
Participation Group is supported by Agence Nationale de la Recherche
under grant ANR-08-BLAN-0222.
NR 66
TC 19
Z9 19
U1 1
U2 2
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0035-8711
J9 MON NOT R ASTRON SOC
JI Mon. Not. Roy. Astron. Soc.
PD JAN
PY 2013
VL 428
IS 2
BP 1498
EP 1517
DI 10.1093/mnras/sts127
PG 20
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA 134QO
UT WOS:000318229000044
ER
PT J
AU Meyer, C
Balsara, DS
Aslam, TD
AF Meyer, Chad
Balsara, Dinshaw S.
Aslam, Tariq D.
TI A second-order accurate Super TimeStepping formulation for anisotropic
thermal conduction (vol 422, pg 2102, 2012)
SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
LA English
DT Correction
DE conduction; MHD; methods: numerical
C1 [Meyer, Chad; Balsara, Dinshaw S.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA.
[Aslam, Tariq D.] Los Alamos Natl Lab, WX Grp 9, Los Alamos, NM 87545 USA.
RP Meyer, C (reprint author), Univ Notre Dame, Dept Phys, 225 Nieuwland Sci Hall, Notre Dame, IN 46556 USA.
EM cmeyer8@nd.edu
NR 1
TC 0
Z9 0
U1 0
U2 2
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0035-8711
J9 MON NOT R ASTRON SOC
JI Mon. Not. Roy. Astron. Soc.
PD JAN
PY 2013
VL 428
IS 2
BP 1855
EP 1855
DI 10.1093/mnras/sts095
PG 1
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA 134QO
UT WOS:000318229000071
ER
PT S
AU Malila, J
McGraw, R
Laaksonen, A
Lehtinen, KEJ
AF Malila, Jussi
McGraw, Robert
Laaksonen, Ari
Lehtinen, Kari E. J.
BE DeMott, PJ
ODowd, CD
TI Repairing the First Nucleation Theorem: Precritical Cluster Losses
SO NUCLEATION AND ATMOSPHERIC AEROSOLS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 19th International Conference on Nucleation and Atmospheric Aerosols
(ICNAA)
CY JUN 23-28, 2013
CL Colorado State Univ, Ctr Arts, Fort Collins, CO
SP Comm Nucleat & Atmospher Aerosols (CNAA), Int Commiss Clouds & Precipitat (ICCP), Int Assoc Meteorol & Atmospher Sci (IAMAS), Int Union Geodesy & Geophys (IUGG), Natl Sci Fdn (NSF), Colorado State Univ, Dept Atmospher Sci, Aerodyne Res Inc, Droplet Measurement Technologies, TSI Inc
HO Colorado State Univ, Ctr Arts
DE clusters; nucleation theorem; losses; coagulation; diffusion; phoretic
forces
ID HOMOGENEOUS NUCLEATION; AEROSOL FORMATION
AB We have extended the kinetic derivation of the first nucleation theorem to account for losses of precritical clusters. Model calculations with coagulation scavenging show that if unaccounted for, these losses can lead to substantial errors in the interpretation of experimental data from laboratory and field measurements.
C1 [Malila, Jussi; Laaksonen, Ari; Lehtinen, Kari E. J.] Univ Eastern Finland, Dept Appl Phys, Kuopio, Finland.
[McGraw, Robert] Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA.
[Laaksonen, Ari] Climate Change Res, Finnish Meteorol Inst, Vantaa, Finland.
[Lehtinen, Kari E. J.] Kuopio Unit, Finnish Meteorol Inst, Kuopio, Finland.
RP Malila, J (reprint author), Univ Eastern Finland, Dept Appl Phys, Kuopio, Finland.
FU Finnish ACCC graduate school; Academy of Finland Centre-of-Excellence
[1118615]
FX This work was supported by the Finnish ACCC graduate school and the
Academy of Finland Centre-of-Excellence program (project no 1118615).
NR 14
TC 3
Z9 3
U1 0
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1152-4
J9 AIP CONF PROC
PY 2013
VL 1527
BP 31
EP 34
DI 10.1063/1.4803197
PG 4
WC Physics, Applied
SC Physics
GA BFG32
UT WOS:000319766400007
ER
PT S
AU Kathmann, SM
Sellner, B
Alexander, AJ
Valiev, M
AF Kathmann, Shawn M.
Sellner, Bernhard
Alexander, Andrew J.
Valiev, Marat
BE DeMott, PJ
ODowd, CD
TI Beyond Classical Theories
SO NUCLEATION AND ATMOSPHERIC AEROSOLS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 19th International Conference on Nucleation and Atmospheric Aerosols
(ICNAA)
CY JUN 23-28, 2013
CL Colorado State Univ, Ctr Arts, Fort Collins, CO
SP Comm Nucleat & Atmospher Aerosols (CNAA), Int Commiss Clouds & Precipitat (ICCP), Int Assoc Meteorol & Atmospher Sci (IAMAS), Int Union Geodesy & Geophys (IUGG), Natl Sci Fdn (NSF), Colorado State Univ, Dept Atmospher Sci, Aerodyne Res Inc, Droplet Measurement Technologies, TSI Inc
HO Colorado State Univ, Ctr Arts
DE nucleation; salt crystallization; charge transfer; excited states;
luminescence
ID WATER-ADSORPTION; NUCLEATION
AB Both Classical Nucleation Theory (CNT) and ground state adiabatic descriptions of matter have taught us a great deal about nucleation phenomena. However, recent experiments have confirmed the existence of luminescence, in both the deep UV and visible regions, during crystallization of NaCl from solution - referred to as crystalloluminescence (XTL). Given the difficulty in experimentally probing the underlying nucleation mechanisms in condensed phases, the emission of radiation is characteristic of the chemical processes giving rise to that emission. This opens the possibility of using XTL as an exquisite probe of nucleation mechanisms. The inclusion of electronically excited states in the nucleation mechanism lies beyond both CNT and ground state adiabatic interactions. Here we outline the chemical physics relevant to these findings and their consequences on how we understand and model nucleation.
C1 [Kathmann, Shawn M.; Sellner, Bernhard] Pacific NW Natl Lab, Phys Sci Div, Richland, WA 99352 USA.
[Alexander, Andrew J.] Univ Edinburgh, Sch Chem, Edinburgh, Midlothian, Scotland.
[Valiev, Marat] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
RP Kathmann, SM (reprint author), Pacific NW Natl Lab, Phys Sci Div, Richland, WA 99352 USA.
RI Alexander, Andrew/E-5330-2011
OI Alexander, Andrew/0000-0002-0897-020X
FU U.S. Department of Energy, Office of Basic Energy Sciences; Division of
Chemical Sciences, Geosciences, and Biosciences
FX This work was supported by the U.S. Department of Energy, Office of
Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and
Biosciences. Pacific Northwest National Laboratory (PNNL) is a
multiprogram national laboratory operated for DOE by Battelle.
NR 8
TC 0
Z9 0
U1 2
U2 7
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1152-4
J9 AIP CONF PROC
PY 2013
VL 1527
BP 109
EP 112
DI 10.1063/1.4803215
PG 4
WC Physics, Applied
SC Physics
GA BFG32
UT WOS:000319766400025
ER
PT S
AU Bzdek, BR
DePalma, JW
Ridge, DP
Laskin, J
Johnston, MV
AF Bzdek, Bryan R.
DePalma, Joseph W.
Ridge, Douglas P.
Laskin, Julia
Johnston, Murray V.
BE DeMott, PJ
ODowd, CD
TI Fragmentation and Growth Energetics of Clusters Relevant to New Particle
Formation
SO NUCLEATION AND ATMOSPHERIC AEROSOLS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 19th International Conference on Nucleation and Atmospheric Aerosols
(ICNAA)
CY JUN 23-28, 2013
CL Colorado State Univ, Ctr Arts, Fort Collins, CO
SP Comm Nucleat & Atmospher Aerosols (CNAA), Int Commiss Clouds & Precipitat (ICCP), Int Assoc Meteorol & Atmospher Sci (IAMAS), Int Union Geodesy & Geophys (IUGG), Natl Sci Fdn (NSF), Colorado State Univ, Dept Atmospher Sci, Aerodyne Res Inc, Droplet Measurement Technologies, TSI Inc
HO Colorado State Univ, Ctr Arts
DE aerosol growth; ammonia; new particle formation; nucleation; sulfuric
acid
ID OFF-RESONANCE EXCITATION; AMMONIUM BISULFATE; RADICAL-CATION;
SULFURIC-ACID; DIMETHYLAMINE
AB The chemical mechanisms governing atmospheric new particle formation are not fully resolved, although this process may significantly impact cloud condensation nuclei levels. Whereas sulfuric acid is the key component, bases are also important in promoting nucleation and growth. This work utilizes a Fourier transform ion cyclotron resonance mass spectrometer (FTICR-MS) equipped with surface-induced dissociation (SID) to investigate time-and collision energy-resolved fragmentation of positively charged ammonium bisulfate clusters. Critical energies for dissociation are obtained from Rice-Ramsperger-Kassel-Marcus/Quasi-Equilibrium Theory (RRKM/QET) modeling of the experimental data and are compared to thermodynamic values. If cluster growth is considered the reverse of cluster dissociation, the results suggest that an activation barrier exists to the incorporation of ammonia into acidic clusters and that diffusion-limited cluster growth should not be assumed.
C1 [Bzdek, Bryan R.; DePalma, Joseph W.; Ridge, Douglas P.; Johnston, Murray V.] Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA.
[Laskin, Julia] Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99352 USA.
RP Bzdek, BR (reprint author), Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA.
RI Laskin, Julia/H-9974-2012;
OI Laskin, Julia/0000-0002-4533-9644; Bzdek, Bryan/0000-0003-2234-1079
FU NSF [CHE-1110554]; NSF/XSEDE [TG-ATM-100041]; U.S. Department of
Energy's (DOE) Office of Basic Energy Sciences; Division of Chemical
Sciences, Geosciences, and Biosciences; DOE's Office of Biological and
Environmental Research; Pacific Northwest National Laboratory
FX This work was supported by NSF grant no. CHE-1110554 and NSF/XSEDE
supercomputing resources (Grant TG-ATM-100041). J.L. acknowledges
support from the U.S. Department of Energys (DOE) Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences.
The SID experiments were performed using EMSL, a national scientific
user facility sponsored by the DOEs Office of Biological and
Environmental Research and located at Pacific Northwest National
Laboratory.
NR 11
TC 0
Z9 0
U1 0
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1152-4
J9 AIP CONF PROC
PY 2013
VL 1527
BP 177
EP 180
DI 10.1063/1.4803232
PG 4
WC Physics, Applied
SC Physics
GA BFG32
UT WOS:000319766400042
ER
PT S
AU Kuang, C
Kangasluoma, J
Wimmer, D
Lehtipalo, K
Wang, J
Kulmala, M
Petaja, T
AF Kuang, Chongai
Kangasluoma, Juha
Wimmer, Daniela
Lehtipalo, Katrianne
Wang, Jian
Kulmala, Markku
Petaja, Tuukka
BE DeMott, PJ
ODowd, CD
TI Laboratory Characterization of a Size-Resolved CPC Battery to Infer the
Composition of Freshly Formed Atmospheric Nuclei
SO NUCLEATION AND ATMOSPHERIC AEROSOLS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 19th International Conference on Nucleation and Atmospheric Aerosols
(ICNAA)
CY JUN 23-28, 2013
CL Colorado State Univ, Ctr Arts, Fort Collins, CO
SP Comm Nucleat & Atmospher Aerosols (CNAA), Int Commiss Clouds & Precipitat (ICCP), Int Assoc Meteorol & Atmospher Sci (IAMAS), Int Union Geodesy & Geophys (IUGG), Natl Sci Fdn (NSF), Colorado State Univ, Dept Atmospher Sci, Aerodyne Res Inc, Droplet Measurement Technologies, TSI Inc
HO Colorado State Univ, Ctr Arts
DE CPC calibration; heterogeneous nucleation; particle activation
ID CONDENSATION PARTICLE COUNTER; 1 NM; NANOPARTICLES; CLUSTERS
AB A size-resolved condensation particle counter battery (SR-CPCb) was developed to infer the composition of freshly nucleated aerosol down to 1 nm in diameter. This was accomplished by exploiting the strong dependence of CPC counting efficiency on particle composition and CPC working fluid. The SR-CPCb consists of CPCs that are optimized for sub 2 nm particle detection using the following working fluids: diethylene glycol, water, and butanol. Laboratory characterizations of the SR-CPCb were performed for challenge aerosols of various compositions down to 1 nm in diameter.
C1 [Kuang, Chongai; Wang, Jian] Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11789 USA.
[Kangasluoma, Juha; Wimmer, Daniela; Lehtipalo, Katrianne; Kulmala, Markku; Petaja, Tuukka] Univ Helsinki, Dept Phys, FIN-00014 Helsinki, Finland.
[Wimmer, Daniela] Goethe Univ Frankfurt, Inst Atmospher & Environm Sci, Frankfurt, Germany.
[Lehtipalo, Katrianne] Airmodus Ltd, FIN-00560 Helsinki, Finland.
RP Kuang, C (reprint author), Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11789 USA.
RI Petaja, Tuukka/A-8009-2008
OI Petaja, Tuukka/0000-0002-1881-9044
FU US Department of Energy (DOE) Atmospheric System Research Program
(Office of Science, OBER) [DE-AC02-98CH10886]; US DOE
[DE-FG-02-05ER63997]; Academy of Finland [1251427, 1139656, 141451,
133872]; Finnish Center of Excellence [1118615]; European Research
Council (ATMNUCLE)
FX This work was supported by the US Department of Energy (DOE) Atmospheric
System Research Program (Office of Science, OBER) under contract
DE-AC02-98CH10886, US DOE Grant Number DE-FG-02-05ER63997, the Academy
of Finland (project nos. 1251427, 1139656, 141451, 133872), the Finnish
Center of Excellence (project no. 1118615), and the European Research
Council (ATMNUCLE).
NR 10
TC 0
Z9 0
U1 0
U2 4
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1152-4
J9 AIP CONF PROC
PY 2013
VL 1527
BP 197
EP 199
DI 10.1063/1.4803237
PG 3
WC Physics, Applied
SC Physics
GA BFG32
UT WOS:000319766400047
ER
PT S
AU Wang, J
Wexler, AS
AF Wang, Jian
Wexler, Anthony S.
BE DeMott, PJ
ODowd, CD
TI Adsorption of Organic Molecules May Explain Growth of Newly Nucleated
Clusters and New Particle Formation
SO NUCLEATION AND ATMOSPHERIC AEROSOLS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 19th International Conference on Nucleation and Atmospheric Aerosols
(ICNAA)
CY JUN 23-28, 2013
CL Colorado State Univ, Ctr Arts, Fort Collins, CO
SP Comm Nucleat & Atmospher Aerosols (CNAA), Int Commiss Clouds & Precipitat (ICCP), Int Assoc Meteorol & Atmospher Sci (IAMAS), Int Union Geodesy & Geophys (IUGG), Natl Sci Fdn (NSF), Colorado State Univ, Dept Atmospher Sci, Aerodyne Res Inc, Droplet Measurement Technologies, TSI Inc
HO Colorado State Univ, Ctr Arts
DE Adsorption; New particle formation; Kelvin effect
ID AEROSOLS
AB New particle formation consists of formation of thermodynamically stable clusters from trace gas molecules (homogeneous nucleation) followed by growth of these clusters to a detectable size. Because of the large coagulation rate of clusters smaller than 3 nm with the preexisting aerosol population, for new particle formation to take place, these clusters need to grow sufficiently fast to escape removal by coagulation. Previous studies have indicated that condensation of low-volatility organic vapor may play an important role in the initial growth of the clusters. However, due to the relatively high vapor pressure and partial molar volume of even highly oxidized organic compounds, the strong Kelvin effect may prevent typical ambient organics from condensing on these small clusters. Earlier studies did not consider that adsorption of organic molecules on the cluster surface, due to the intermolecular forces between the organic molecule and cluster, may occur and substantially alter the growth process under sub-saturated conditions. Using the Brunauer-Emmett-Teller (BET) isotherm, we show that the adsorption of organic molecules onto the surface of clusters may significantly reduce the saturation ratio required for condensation of organics to occur, and therefore may provide a physico-chemical explanation for the enhanced initial growth by condensation of organics despite the strong Kelvin effect.
C1 [Wang, Jian] Brookhaven Natl Lab, Environm Sci Dept, Upton, NY 11973 USA.
[Wexler, Anthony S.] Univ Calif Davis, Mech Aeronaut Engn, Davis, CA USA.
RP Wang, J (reprint author), Brookhaven Natl Lab, Environm Sci Dept, Upton, NY 11973 USA.
NR 11
TC 0
Z9 0
U1 0
U2 4
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1152-4
J9 AIP CONF PROC
PY 2013
VL 1527
BP 258
EP 261
DI 10.1063/1.4803253
PG 4
WC Physics, Applied
SC Physics
GA BFG32
UT WOS:000319766400063
ER
PT S
AU Wang, BB
Kelly, ST
Sellon, R
Shilling, J
Tivanski, AV
Moffet, RC
Gilles, MK
Laskin, A
AF Wang, Bingbing
Kelly, Stephen T.
Sellon, Rachel
Shilling, John
Tivanski, Alexei V.
Moffet, Ryan C.
Gilles, Mary K.
Laskin, Alexander
BE DeMott, PJ
ODowd, CD
TI Field and Laboratory Studies of Reactions between Atmospheric Water
Soluble Organic Acids and Inorganic Particles
SO NUCLEATION AND ATMOSPHERIC AEROSOLS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 19th International Conference on Nucleation and Atmospheric Aerosols
(ICNAA)
CY JUN 23-28, 2013
CL Colorado State Univ, Ctr Arts, Fort Collins, CO
SP Comm Nucleat & Atmospher Aerosols (CNAA), Int Commiss Clouds & Precipitat (ICCP), Int Assoc Meteorol & Atmospher Sci (IAMAS), Int Union Geodesy & Geophys (IUGG), Natl Sci Fdn (NSF), Colorado State Univ, Dept Atmospher Sci, Aerodyne Res Inc, Droplet Measurement Technologies, TSI Inc
HO Colorado State Univ, Ctr Arts
DE Organic Acids; Inorganic Particles; Heterogeneous Reactions; Acid
Replacement
AB Atmospheric inorganic particles undergo complex heterogeneous reactions that change their physicochemical properties. Depletion of chloride in sea salt particles was reported in previous field studies and was attributed to the acid displacement of chlorides with inorganic acids, such as nitric and sulfuric acids [1-2]. Recently, we showed that NaCl can react with water soluble organic acids (WSOA) and release gaseous hydrochloric acid (HCl) resulting in formation of organic salts [3]. A similar mechanism is also applicable to mixed WSOA/nitrate particles where multi-phase reactions are driven by the volatility of nitric acid. Furthermore, secondary organic material, which is a complex mixture of carboxylic acids, exhibits the same reactivity towards chlorides and nitrates. Here, we present a systematic study of reactions between atmospheric relevant WSOA, SOM, and inorganic salts including NaCl, NaNO3, and Ca(NO3)(2) using complementary micro-spectroscopy analysis.
C1 [Wang, Bingbing; Shilling, John; Laskin, Alexander] Pacific NW Natl Lab, Richland, WA 99354 USA.
[Kelly, Stephen T.; Sellon, Rachel; Gilles, Mary K.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Sellon, Rachel; Moffet, Ryan C.] Univ Pacific, Stockton, CA 95211 USA.
[Tivanski, Alexei V.] Univ Iowa, Iowa City, IA 52242 USA.
RP Wang, BB (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA.
RI Wang, Bingbing/B-6211-2011; Laskin, Alexander/I-2574-2012
OI Laskin, Alexander/0000-0002-7836-8417
FU Chemical Imaging Initiative; Laboratory Directed Research and
Development; Laboratory Directed Research and Development at Lawrence
Berkeley National Laboratory; OBER at Pacific Northwest National
Laboratory; U.S. Department of Energy by Battelle Memorial Institute
[DE-AC06-76RL0]; U.S. Department of Energy [DE-AC02-10 05CH11231]
FX PNNL group acknowledges support from the Chemical Imaging Initiative of
the Laboratory Directed Research and Development program at Pacific
Northwest National Laboratory. LBNL group acknowledges support from
Laboratory Directed Research and Development at Lawrence Berkeley
National Laboratory. The CCSEM/EDX and micro-FTIR particle analysis was
performed in the Environmental Molecular Sciences Laboratory, a national
scientific user facility sponsored by OBER at Pacific Northwest National
Laboratory. PNNL is operated by the U.S. Department of Energy by
Battelle Memorial Institute under contract DE-AC06-76RL0. The
STXM/NEXAFS particle analysis was performed at beamlines 11.0.2 and
5.3.2 at the Advanced Light Source at Lawrence Berkeley National
Laboratory. The work at the Advanced Light Source was supported by the
Director, Office of Science, Office of Basic Energy Sciences, of the
U.S. Department of Energy under Contract No. DE-AC02-10 05CH11231.
NR 4
TC 0
Z9 0
U1 0
U2 8
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1152-4
J9 AIP CONF PROC
PY 2013
VL 1527
BP 465
EP 467
DI 10.1063/1.4803305
PG 3
WC Physics, Applied
SC Physics
GA BFG32
UT WOS:000319766400115
ER
PT S
AU Yu, H
Hallar, AG
Sedlacek, A
Springston, S
Kanawade, V
You, Y
Lee, YN
Wang, J
Kuang, CG
McGraw, RL
McCubbin, I
Chirokova, G
Mikkila, J
Lee, SH
AF Yu, Huan
Hallar, A. Gannet
Sedlacek, Arthur
Springston, Stephen
Kanawade, Vijay
You, Yi
Lee, Yin-Nan
Wang, Jian
Kuang, Chongai
McGraw, Robert L.
McCubbin, Ian
Chirokova, Galina
Mikkila, Jyri
Lee, Shan-Hu
BE DeMott, PJ
ODowd, CD
TI Sub-3 nm Particle Observations in the Atmosphere of Two Sites in Eastern
United States
SO NUCLEATION AND ATMOSPHERIC AEROSOLS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 19th International Conference on Nucleation and Atmospheric Aerosols
(ICNAA)
CY JUN 23-28, 2013
CL Colorado State Univ, Ctr Arts, Fort Collins, CO
SP Comm Nucleat & Atmospher Aerosols (CNAA), Int Commiss Clouds & Precipitat (ICCP), Int Assoc Meteorol & Atmospher Sci (IAMAS), Int Union Geodesy & Geophys (IUGG), Natl Sci Fdn (NSF), Colorado State Univ, Dept Atmospher Sci, Aerodyne Res Inc, Droplet Measurement Technologies, TSI Inc
HO Colorado State Univ, Ctr Arts
DE New particle formation; sulfuric acid; sub-3 nm particles; Particle Size
Magnifier
ID BIOGENIC IODINE EMISSIONS; BOREAL FOREST; COASTAL ENVIRONMENT; NANO-CN;
NUCLEATION; EXPLANATION; CLUSTERS; GROWTH
AB Direct measurement of sub-3 nm particles is crucial for understanding the new particle formation process and its contribution to cloud condensation nuclei (CCN) formation. Sub-3 nm particles measured at Long Island, New York (coastal site) and Kent, Ohio (inland continental site) show that high concentrations of nighttime sub-3 nm particles were present at the coastal site only with marine air masses, whereas nighttime sub-3 nm particle concentrations were significantly low in continental air masses and at the inland continental site. The coastal nighttime sub-3 nm particles did not grow larger. Measured sulfuric acid and Volatile Organic Compounds (VOCs) indicate that the potential source precursors of nighttime sub-3 nm particles may be unknown ocean-originated chemical species other than sulfuric acid and biogenic VOCs (isoprene and monoterpenes).
C1 [Yu, Huan; Kanawade, Vijay; You, Yi; Lee, Shan-Hu] Kent State Univ, Coll Publ Hlth, Kent, OH 44242 USA.
[Hallar, A. Gannet; McCubbin, Ian; Chirokova, Galina] Desert Res Inst, Storm Peak Lab, Div Atmospher Sci, Steamboat Springs, CO 80487 USA.
[Sedlacek, Arthur; Springston, Stephen; Lee, Yin-Nan; Wang, Jian; Kuang, Chongai; McGraw, Robert L.] Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA.
[Mikkila, Jyri] Airmodus Oy, Helsinki, Finland.
RP Yu, H (reprint author), Kent State Univ, Coll Publ Hlth, Kent, OH 44242 USA.
RI Lee, Shan-Hu/F-9913-2014; Kanawade, Vijay Punjaji/C-9848-2015
OI Kanawade, Vijay Punjaji/0000-0001-5611-3029
NR 15
TC 0
Z9 0
U1 0
U2 4
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1152-4
J9 AIP CONF PROC
PY 2013
VL 1527
BP 539
EP 542
DI 10.1063/1.4803327
PG 4
WC Physics, Applied
SC Physics
GA BFG32
UT WOS:000319766400135
ER
PT S
AU Chen, MD
Titcombe, M
Jiang, JK
Jen, C
Kuang, CG
Fischer, ML
Eisele, FL
Siepmann, I
Hanson, DR
Zhao, J
McMurry, PH
AF Chen, Modi
Titcombe, Mari
Jiang, Jingkun
Jen, Coty
Kuang, Chongai
Fischer, Marc L.
Eisele, Fred L.
Siepmann, Ilja
Hanson, David R.
Zhao, Jun
McMurry, Peter H.
BE DeMott, PJ
ODowd, CD
TI Acid-Base Chemical Reaction Model for Nucleation Rates In The Polluted
Atmospheric Boundary Layer
SO NUCLEATION AND ATMOSPHERIC AEROSOLS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 19th International Conference on Nucleation and Atmospheric Aerosols
(ICNAA)
CY JUN 23-28, 2013
CL Colorado State Univ, Ctr Arts, Fort Collins, CO
SP Comm Nucleat & Atmospher Aerosols (CNAA), Int Commiss Clouds & Precipitat (ICCP), Int Assoc Meteorol & Atmospher Sci (IAMAS), Int Union Geodesy & Geophys (IUGG), Natl Sci Fdn (NSF), Colorado State Univ, Dept Atmospher Sci, Aerodyne Res Inc, Droplet Measurement Technologies, TSI Inc
HO Colorado State Univ, Ctr Arts
DE Nucleation; Nanoparticles; Clusters; CCN; Sulfuric Acid; Amines; Ammonia
ID SIZE; NM
AB Measurements of aerosol number distributions down to one molecule have provided information that we've used to develop a new approach for modeling atmospheric nucleation rates. Measurements were carried out with the Cluster Chemical Ionization Mass Spectrometer (Cluster CIMS), the scanning mobility spectrometer using a diethylene glycol condensation particle counter as detector (DEG SMPS), and an ambient pressure proton transfer mass spectrometer for ammonia and amines (AmPMS). The model explains nucleation as a result of cluster evolution due to a sequence of acid-base reactions. We conclude that the smallest stable cluster contains four sulfuric acid molecules. The model leads to a simple analytic expression for nucleation rates that is reasonably consistent (i.e., +/- 10x) with atmospheric observations. The model predicts that nucleation rates are equal to a prefactor, P<1, times the sulfuric acid vapor collision rate, (i.e., J=P.0.5.k(11) *[H2SO4](2)).
C1 [Chen, Modi; Jiang, Jingkun; Jen, Coty; Zhao, Jun; McMurry, Peter H.] Univ Minnesota, Dept Mech Engn, 111 Church St SE, Minneapolis, MN 55455 USA.
[Titcombe, Mari; Siepmann, Ilja] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA.
[Titcombe, Mari] Colorado Coll, Environm Program, Colorado Springs, CO 80903 USA.
[Jiang, Jingkun] Tsinghua Univ, Dept Environm Engn, Beijing, Peoples R China.
[Kuang, Chongai] Dept Environm Sci, Brookhaven Natl Lab, New York, NY 10001 USA.
[Fischer, Marc L.] Lawrence Berkeley Natl Lab, Sustainable Energy Syst Grp, Berkeley, CA 94720 USA.
[Eisele, Fred L.; Zhao, Jun] Natl Ctr Atmospher Res, Boulder, CO 80301 USA.
[Hanson, David R.] Augsburg Coll, Dept Chem, Minneapolis, MN 55402 USA.
RP Chen, MD (reprint author), Univ Minnesota, Dept Mech Engn, 111 Church St SE, Minneapolis, MN 55455 USA.
RI McMurry, Peter/A-8245-2008
OI McMurry, Peter/0000-0003-1609-5131
NR 9
TC 1
Z9 1
U1 1
U2 10
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1152-4
J9 AIP CONF PROC
PY 2013
VL 1527
BP 647
EP 650
DI 10.1063/1.4803354
PG 4
WC Physics, Applied
SC Physics
GA BFG32
UT WOS:000319766400162
ER
PT S
AU McGraw, R
AF McGraw, Robert
BE DeMott, PJ
ODowd, CD
TI Sparse Aerosol Models Beyond the Quadrature Method of Moments
SO NUCLEATION AND ATMOSPHERIC AEROSOLS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 19th International Conference on Nucleation and Atmospheric Aerosols
(ICNAA)
CY JUN 23-28, 2013
CL Colorado State Univ, Ctr Arts, Fort Collins, CO
SP Comm Nucleat & Atmospher Aerosols (CNAA), Int Commiss Clouds & Precipitat (ICCP), Int Assoc Meteorol & Atmospher Sci (IAMAS), Int Union Geodesy & Geophys (IUGG), Natl Sci Fdn, Colorado State Univ, Dept Atmospher Sci, Aerodyne Res Inc, Droplet Measurement Technologies, TSI Inc
HO Colorado State Univ, Ctr Arts
DE Sparse aerosol models; Aerosol physical and optical properties; Aerosol
dynamics; Quadrature Method of Moments
AB This study examines a class of sparse aerosol models derived from linear programming (LP). The widely used quadrature method of moments (QMOM) is shown to fall into this class. Here it is shown how other sparse aerosol models can be constructed, which are not based on moments of the particle size distribution. The new methods enable one to bound atmospheric aerosol physical and optical properties using arbitrary combinations of model parameters and measurements. Rigorous upper and lower bounds, e. g. on the number of aerosol particles that can activate to form cloud droplets, can be obtained this way from measurement constraints that may include total particle number concentration and size distribution moments. The new LP-based methods allow a much wider range of aerosol properties, such as light backscatter or extinction coefficient, which are not easily connected to particle size moments, to also be assimilated into a list of constraints. Finally, it is shown that many of these more general aerosol properties can be tracked directly in an aerosol dynamics simulation, using SAMs, in much the same way that moments are tracked directly in the QMOM.
C1 Brookhaven Natl Lab, Dept Environm Sci, Div Atmospher Sci, Upton, NY 11973 USA.
RP McGraw, R (reprint author), Brookhaven Natl Lab, Dept Environm Sci, Div Atmospher Sci, Upton, NY 11973 USA.
NR 6
TC 1
Z9 1
U1 0
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1152-4
J9 AIP CONF PROC
PY 2013
VL 1527
BP 651
EP 654
DI 10.1063/1.4803355
PG 4
WC Physics, Applied
SC Physics
GA BFG32
UT WOS:000319766400163
ER
PT S
AU D'Andrea, SD
Hakkinen, SAK
Westervelt, DM
Kuang, C
Spracklen, DV
Riipinen, I
Pierce, JR
AF D'Andrea, S. D.
Hakkinen, S. A. K.
Westervelt, D. M.
Kuang, C.
Spracklen, D. V.
Riipinen, I.
Pierce, J. R.
BE DeMott, PJ
ODowd, CD
TI Effect of Secondary Organic Aerosol Amount and Condensational Behavior
on Global Aerosol Size Distributions
SO NUCLEATION AND ATMOSPHERIC AEROSOLS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 19th International Conference on Nucleation and Atmospheric Aerosols
(ICNAA)
CY JUN 23-28, 2013
CL Colorado State Univ, Ctr Arts, Fort Collins, CO
SP Comm Nucleat & Atmospher Aerosols (CNAA), Int Commiss Clouds & Precipitat (ICCP), Int Assoc Meteorol & Atmospher Sci (IAMAS), Int Union Geodesy & Geophys (IUGG), Natl Sci Fdn (NSF), Colorado State Univ, Dept Atmospher Sci, Aerodyne Res Inc, Droplet Measurement Technologies, TSI Inc
HO Colorado State Univ, Ctr Arts
DE Aerosols; CCN; SOA; condensation; volatility
AB Recent research has shown that secondary organic aerosols (SOA) are major contributors to ultrafine particle growth to climatically relevant sizes, increasing global cloud condensation nuclei (CCN) concentrations within the continental boundary layer. Many models treat SOA solely as semivolatile, which leads to condensation of SOA proportional to the aerosol mass distribution; however, recent closure studies with field measurements show that a significant fraction of SOA condenses proportional to the aerosol surface area, which suggests a very low volatility. Additionally, while many global models contain only biogenic sources of SOA (with emissions generally 10-30 Tg yr(-1)), recent studies have shown a need for an additional source of SOA around 100 Tg yr(-1) correlated with anthropogenic carbon monoxide (CO) emissions is required to match measurements. Here, we explore the significance of these two findings using the GEOS-Chem-TOMAS global aerosol microphysics model. The percent change in the number of particles of size D-p > 40 nm (N40) within the continental boundary layer between the surface-area-and mass-distribution condensation schemes, both with the base biogenic SOA only, yielded a global increase of 8% but exceeds 100% in biogenically active regions. The percent change in N40 within the continental boundary layer between the base simulation (19 Tg yr(-1)) and the additional SOA (100 Tg yr(-1)) both using the surface area condensation scheme (very low volatility) yielded a global increase of 14%, and a global decrease in the number of particles of size D-p > 10 nm (N10) of 32%. These model simulations were compared to measured data from Hyytiala, Finland and other global locations and confirmed a decrease in the model-measurement bias. Thus, treating SOA as very low volatile as well as including additional SOA correlated with anthropogenic CO emissions causes a significant global increase in the number of climatically relevant sized particles, and therefore we must continue to refine our SOA treatments in aerosol microphysics models.
C1 [D'Andrea, S. D.] Dalhousie Univ, Dept Phys & Atmospher Sci, Halifax, NS, Canada.
[D'Andrea, S. D.; Pierce, J. R.] Colorado State Univ, Dept Atmospher Sci, Ft Detrick, MD 21702 USA.
[Hakkinen, S. A. K.] Univ Helsinki, Dept Phys, Helsinki, Finland.
[Westervelt, D. M.] Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15213 USA.
[Kuang, C.] Brookhaven Natl Lab, Div Atmospher Sci, New York, NY 10005 USA.
[Spracklen, D. V.] Univ Leeds, Sch Earth & Environm, Leeds LS2 9JT, W Yorkshire, England.
[Riipinen, I.] Univ Stockholm, Bert Bolin Ctr Climate Res, Dept Appl Environm Sci, S-10691 Stockholm, Sweden.
RP D'Andrea, SD (reprint author), Dalhousie Univ, Dept Phys & Atmospher Sci, Halifax, NS, Canada.
RI Pierce, Jeffrey/E-4681-2013; Spracklen, Dominick/B-4890-2014; Chem,
GEOS/C-5595-2014
OI Pierce, Jeffrey/0000-0002-4241-838X;
FU Natural Science and Engineering Research Council (NSERC) of Canada
FX We thank the Atlantic Computational Excellence Network (ACEnet) for the
computing resources used in this study. We thank the Natural Science and
Engineering Research Council (NSERC) of Canada for funding this project.
NR 7
TC 0
Z9 0
U1 0
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1152-4
J9 AIP CONF PROC
PY 2013
VL 1527
BP 667
EP 670
DI 10.1063/1.4803359
PG 4
WC Physics, Applied
SC Physics
GA BFG32
UT WOS:000319766400167
ER
PT S
AU Betancourt, RM
Nenes, A
Liu, XH
AF Betancourt, Ricardo Morales
Nenes, Athanasios
Liu, Xiaohong
BE DeMott, PJ
ODowd, CD
TI Relative Contributions of Aerosol Properties to Cloud Droplet Number:
Adjoint Sensitivity Approach in a GCM
SO NUCLEATION AND ATMOSPHERIC AEROSOLS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 19th International Conference on Nucleation and Atmospheric Aerosols
(ICNAA)
CY JUN 23-28, 2013
CL Colorado State Univ, Ctr Arts, Fort Collins, CO
SP Comm Nucleat & Atmospher Aerosols (CNAA), Int Commiss Clouds & Precipitat (ICCP), Int Assoc Meteorol & Atmospher Sci (IAMAS), Int Union Geodesy & Geophys (IUGG), Natl Sci Fdn (NSF), Colorado State Univ, Dept Atmospher Sci, Aerodyne Res Inc, Droplet Measurement Technologies, TSI Inc
HO Colorado State Univ, Ctr Arts
DE Aerosol Indirect Effects; Adjoint sensitivity
ID COMMUNITY ATMOSPHERE MODEL; CLIMATE MODELS; PARAMETERIZATION
AB In this work we study the sensitivity of cloud droplet number concentration to aerosol characteristics in the framework of a Global Circulation Model (GCM) by using the newly developed adjoints of a number of physically based droplet activation parameterizations. The adjoint sensitivities of these activation parameterizations were implemented in the Community Atmospheric Model version 5, which includes interactive aerosols and detailed cloud microphysics. These simulations exhibit clear patterns of high-sensitivity areas to aerosol number concentration coinciding with relatively clean environments, as well as continental and relatively polluted areas showing saturation with respect to aerosol load changes. Furthermore, in order to identify process-level discrepancies between the activation schemes in the absence of feedbacks, aerosol input fields from the Global Modeling Initiative (GMI) chemical transport model were used to drive off-line comparisons between the sensitivities of the droplet number predicted by these parameterizations against predictions with detailed numerical simulations of the activation process. Important differences were observed particularly in their response to number concentration and hygroscopicity of fine and coarse mode aerosols. Overall, the parameterizations were capable of capturing the response of droplet concentrations to perturbations in aerosol number concentration, and updraft velocity better than to chemical composition variations.
C1 [Betancourt, Ricardo Morales; Nenes, Athanasios] Georgia Inst Technol, Sch Earth Ans Atmospher Sci, Atlanta, GA 30332 USA.
[Nenes, Athanasios] Georgia Inst Technol, Sch Biomol & Chem Engn, Atlanta, GA 30332 USA.
[Liu, Xiaohong] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Betancourt, RM (reprint author), Georgia Inst Technol, Sch Earth Ans Atmospher Sci, Atlanta, GA 30332 USA.
FU DOE; NASA-ACMAP; NERSC
FX We acknowledge our sources of funding, DOE and NASA-ACMAP. We also thank
Dr. Xiaohong Liu for providing access to the NERSC computational
resources that made this work possible.
NR 8
TC 0
Z9 0
U1 0
U2 6
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1152-4
J9 AIP CONF PROC
PY 2013
VL 1527
BP 679
EP 682
DI 10.1063/1.4803362
PG 4
WC Physics, Applied
SC Physics
GA BFG32
UT WOS:000319766400170
ER
PT S
AU Russell, LM
Sorooshian, A
Seinfeld, JH
Albrecht, BA
Nenes, A
Leaitch, WR
Macdonald, AM
Ahlm, L
Chen, YC
Coggon, M
Corrigan, A
Craven, JS
Flagan, RC
Frossard, AA
Hawkins, LN
Jonsson, H
Jung, E
Lin, JJ
Metcalf, AR
Modini, R
Mulmenstadt, J
Roberts, GC
Shingler, T
Song, SW
Wang, Z
Wonaschutz, A
AF Russell, Lynn M.
Sorooshian, Armin
Seinfeld, John H.
Albrecht, Bruce A.
Nenes, Athanasios
Leaitch, W. Richard
Macdonald, Anne Marie
Ahlm, Lars
Chen, Yi-Chun
Coggon, Matthew
Corrigan, Ashley
Craven, Jill S.
Flagan, Richard C.
Frossard, Amanda A.
Hawkins, Lelia N.
Jonsson, Haflidi
Jung, Eunsil
Lin, Jack J.
Metcalf, Andrew R.
Modini, Robin
Muelmenstaedt, Johannes
Roberts, Greg C.
Shingler, Taylor
Song, Siwon
Wang, Zhen
Wonaschuetz, Anna
BE DeMott, PJ
ODowd, CD
TI Observed Aerosol Effects on Marine Cloud Nucleation and Supersaturation
SO NUCLEATION AND ATMOSPHERIC AEROSOLS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 19th International Conference on Nucleation and Atmospheric Aerosols
(ICNAA)
CY JUN 23-28, 2013
CL Colorado State Univ, Ctr Arts, Fort Collins, CO
SP Comm Nucleat & Atmospher Aerosols (CNAA), Int Commiss Clouds & Precipitat (ICCP), Int Assoc Meteorol & Atmospher Sci (IAMAS), Int Union Geodesy & Geophys (IUGG), Natl Sci Fdn (NSF), Colorado State Univ, Dept Atmospher Sci, Aerodyne Res Inc, Droplet Measurement Technologies, TSI Inc
HO Colorado State Univ, Ctr Arts
DE Atmospheric Aerosol; Marine Aerosol; Cloud Properties; Aerosol-Cloud
Interactions; Marine Boundary Layer
AB Aerosol particles in the marine boundary layer include primary organic and salt particles from sea spray and combustion-derived particles from ships and coastal cities. These particle types serve as nuclei for marine cloud droplet activation, although the particles that activate depend on the particle size and composition as well as the supersaturation that results from cloud updraft velocities. The Eastern Pacific Emitted Aerosol Cloud Experiment (E-PEACE) 2011 was a targeted aircraft campaign to assess how different particle types nucleate cloud droplets. As part of E-PEACE 2011, we studied the role of marine particles as cloud droplet nuclei and used emitted particle sources to separate particle-induced feedbacks from dynamical variability. The emitted particle sources included shipboard smoke-generated particles with 0.05-1 mu m diameters (which produced tracks measured by satellite and had drop composition characteristic of organic smoke) and combustion particles from container ships with 0.05-0.2 mu m diameters (which were measured in a variety of conditions with droplets containing both organic and sulfate components) [1]. Three central aspects of the collaborative E-PEACE results are: (1) the size and chemical composition of the emitted smoke particles compared to ship-track-forming cargo ship emissions as well as background marine particles, with particular attention to the role of organic particles, (2) the characteristics of cloud track formation for smoke and cargo ships, as well as the role of multi-layered low clouds, and (3) the implications of these findings for quantifying aerosol indirect effects. For comparison with the E-PEACE results, the preliminary results of the Stratocumulus Observations of Los-Angeles Emissions Derived Aerosol-Droplets (SOLEDAD) 2012 provided evidence of the cloud-nucleating roles of both marine organic particles and coastal urban pollution, with simultaneous measurements of the effective supersaturations of the clouds in the California coastal region.
C1 [Russell, Lynn M.; Ahlm, Lars; Corrigan, Ashley; Frossard, Amanda A.; Modini, Robin; Muelmenstaedt, Johannes; Roberts, Greg C.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA.
[Seinfeld, John H.; Chen, Yi-Chun; Coggon, Matthew; Craven, Jill S.; Flagan, Richard C.; Metcalf, Andrew R.] CALTECH, Pasadena, CA 91125 USA.
[Sorooshian, Armin; Shingler, Taylor; Wang, Zhen] Univ Arizona, Dept Chem & Environm Engn, Tucson, AZ 85721 USA.
[Nenes, Athanasios; Lin, Jack J.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA.
[Albrecht, Bruce A.; Jung, Eunsil; Song, Siwon] Univ Miami, Rosenstiel Sch Marine Sci, Coral Gables, FL 33124 USA.
[Jonsson, Haflidi] Ctr Interdisciplinary Remotely Poloted Aerosol St, Marina Del Rey, CA 90292 USA.
[Sorooshian, Armin; Wonaschuetz, Anna] Univ Arizona, Dept Atmospher Sci, Tucson, AZ 85721 USA.
Georgia Inst Technol, Dept Chem & Biomol Engn, Atlanta, GA 30332 USA.
[Roberts, Greg C.] Ctr Natl Rech Sci, Toulouse, France.
[Metcalf, Andrew R.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA.
[Leaitch, W. Richard; Macdonald, Anne Marie] Environm Canada, Toronto, ON, Canada.
[Hawkins, Lelia N.] Harvey Mudd Coll, Claremont, CA 91711 USA.
RP Russell, LM (reprint author), Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA.
RI Modini, Rob/A-8451-2014;
OI Sorooshian, Armin/0000-0002-2243-2264
FU National Science Foundation [AGS-1013423, AGS-1008848, AGS-1013381,
AGS-1013319, ATM-0744636, AGS-0821599, ATM-0349015]; Office of Naval
Research [N00014-11-1-0783, N00014-10-1-0811, N00014-10-1-0200,
N00014-08-1-0465]
FX The E-PEACE 2011 field campaign and modeling studies were funded by the
National Science Foundation (AGS-1013423; AGS-1008848; AGS-1013381;
AGS-1013319; ATM-0744636; AGS-0821599; ATM-0349015) and the Office of
Naval Research (N00014-11-1-0783; N00014-10-1-0811; N00014-10-1-0200;
N00014-08-1-0465). Sea Spray Research, Inc., provided oil for the
operation of the smoke generators. The authors gratefully acknowledge
the crews of the CIRPAS Twin Otter and the R/V Point Sur for their
assistance during the field campaign, Tom Maggard who revived and
tirelessly maintained the smoke generators during the cruise, and Spyros
Pandis for providing the CCN spectrometer. The SOLEDAD 2012 field
measurements shown here were a collaboration of Scripps Institution of
Oceanography and Environment Canada.
NR 5
TC 0
Z9 0
U1 0
U2 14
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1152-4
J9 AIP CONF PROC
PY 2013
VL 1527
BP 696
EP 701
DI 10.1063/1.4803366
PG 6
WC Physics, Applied
SC Physics
GA BFG32
UT WOS:000319766400174
ER
PT S
AU Xie, SC
Liu, XH
Zhao, CF
Zhang, YY
AF Xie, Shaocheng
Liu, Xiaohong
Zhao, Chuanfeng
Zhang, Yuying
BE DeMott, PJ
ODowd, CD
TI Impact of Ice Nucleation Parameterizations on CAM5 Simulated Arctic
Clouds and Radiation: A Sensitivity Study
SO NUCLEATION AND ATMOSPHERIC AEROSOLS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 19th International Conference on Nucleation and Atmospheric Aerosols
(ICNAA)
CY JUN 23-28, 2013
CL Colorado State Univ, Ctr Arts, Fort Collins, CO
SP Comm Nucleat & Atmospher Aerosols (CNAA), Int Commiss Clouds & Precipitat (ICCP), Int Assoc Meteorol & Atmospher Sci (IAMAS), Int Union Geodesy & Geophys (IUGG), Natl Sci Fdn (NSF), Colorado State Univ, Dept Atmospher Sci, Aerodyne Res Inc, Droplet Measurement Technologies, TSI Inc
HO Colorado State Univ, Ctr Arts
DE ice nucleation; community atmospheric model (CAM); arctic clouds and
radiation
AB Sensitivity of Arctic clouds and radiation in the Community Atmospheric Model version 5 (CAM5) to ice nucleation parameterizations is examined. The physical reasons behind these changes in cloud amount and cloud microphysical properties are discussed. Model simulations of clouds and radiation are evaluated with available observations.
C1 [Xie, Shaocheng; Zhao, Chuanfeng; Zhang, Yuying] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Liu, Xiaohong] Pacific Northwest Natl Lab, Richland, WA USA.
RP Xie, SC (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA.
RI Zhao, Chuanfeng/G-8546-2013; Zhang, Yuying/H-5011-2012
FU U. S. Department of Energy (DOE), Office of Science; Office of
Biological and Environmental Research; Lawrence Livermore National
Laboratory [DE-AC52-07NA27344]; Battelle Memorial Institute
[DE-AC06-76RLO 1830]
FX The contributions of S. Xie, C. Zhao, and Y. Zhang to this work were
performed under the auspices of the U. S. Department of Energy (DOE),
Office of Science, Office of Biological and Environmental Research by
Lawrence Livermore National Laboratory under contract No.
DE-AC52-07NA27344 and supported by the DOE Earth System Modeling Program
and Atmospheric Radiation Measurement Program. Support for X. Liu was
provided by the DOE Office of Science Atmospheric System Research (ASR)
Program and Earth System Modeling Program. The Pacific Northwest
National Laboratory is operated for the DOE by Battelle Memorial
Institute under contract DE-AC06-76RLO 1830.
NR 2
TC 0
Z9 0
U1 1
U2 3
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1152-4
J9 AIP CONF PROC
PY 2013
VL 1527
BP 747
EP 750
DI 10.1063/1.4803378
PG 4
WC Physics, Applied
SC Physics
GA BFG32
UT WOS:000319766400186
ER
PT S
AU Komurcu, M
Storelvmo, T
Tan, I
Lohmann, U
Yun, YX
Penner, JE
Wang, Y
Liu, XH
Takemura, T
AF Komurcu, Muge
Storelvmo, Trude
Tan, Ivy
Lohmann, Ulrike
Yun, Yuxing
Penner, Joyce E.
Wang, Yong
Liu, Xiaohong
Takemura, Toshihiko
BE DeMott, PJ
ODowd, CD
TI Inter-Comparison of the Phase Partitioning of Cloud Water among Global
Climate Models
SO NUCLEATION AND ATMOSPHERIC AEROSOLS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 19th International Conference on Nucleation and Atmospheric Aerosols
(ICNAA)
CY JUN 23-28, 2013
CL Colorado State Univ, Ctr Arts, Fort Collins, CO
SP Comm Nucleat & Atmospher Aerosols (CNAA), Int Commiss Clouds & Precipitat (ICCP), Int Assoc Meteorol & Atmospher Sci (IAMAS), Int Union Geodesy & Geophys (IUGG), Natl Sci Fdn (NSF), Colorado State Univ, Dept Atmospher Sci, Aerodyne Res Inc, Droplet Measurement Technologies, TSI Inc
HO Colorado State Univ, Ctr Arts
DE Cloud Water Phase Partitioning; Mixed-Phase Clouds; Ice Nucleation; GCM
Inter-comparison
ID ICE-NUCLEATION; CAM-OSLO; DUST
AB Cloud water phase partitioning of global climate models is investigated using four different models. Two simulations are done: One with the models' default heterogeneous ice nucleation and another one using a fixed ice nucleation for all models. Results show that heterogeneous ice nucleation can influence the water phase partitioning, however, its influence is not the dominant factor leading to the phase partitioning differences among models.
C1 [Komurcu, Muge; Storelvmo, Trude; Tan, Ivy] Yale Univ, Dept Geol & Geophys, New Haven, CT 06520 USA.
[Lohmann, Ulrike] Swiss Fed Inst Technol, Inst Atmospher & Climate Sci, Ch-8092 Zurich, Switzerland.
[Yun, Yuxing; Penner, Joyce E.] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI USA.
[Wang, Yong; Liu, Xiaohong] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Takemura, Toshihiko] Kyushu Univ, Res Inst Appl Mech, Kasuga, Fukuoka 8168580, Japan.
RP Komurcu, M (reprint author), Yale Univ, Dept Geol & Geophys, POB 208109, New Haven, CT 06520 USA.
RI Penner, Joyce/J-1719-2012; Lohmann, Ulrike/B-6153-2009; U-ID,
Kyushu/C-5291-2016; Kyushu, RIAM/F-4018-2015;
OI Lohmann, Ulrike/0000-0001-8885-3785; Komurcu, Muge/0000-0001-5313-2785;
Takemura, Toshihiko/0000-0002-2859-6067
NR 17
TC 1
Z9 1
U1 0
U2 8
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1152-4
J9 AIP CONF PROC
PY 2013
VL 1527
BP 755
EP 758
DI 10.1063/1.4803381
PG 4
WC Physics, Applied
SC Physics
GA BFG32
UT WOS:000319766400189
ER
PT S
AU Liu, XH
Wang, Y
Hoose, C
AF Liu, Xiaohong
Wang, Yong
Hoose, Corinna
BE DeMott, PJ
ODowd, CD
TI Implement a Classical-Theory-Based Parameterization of Heterogeneous Ice
Nucleation in CAM5
SO NUCLEATION AND ATMOSPHERIC AEROSOLS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 19th International Conference on Nucleation and Atmospheric Aerosols
(ICNAA)
CY JUN 23-28, 2013
CL Colorado State Univ, Ctr Arts, Fort Collins, CO
SP Comm Nucleat & Atmospher Aerosols (CNAA), Int Commiss Clouds & Precipitat (ICCP), Int Assoc Meteorol & Atmospher Sci (IAMAS), Int Union Geodesy & Geophys (IUGG), Natl Sci Fdn (NSF), Colorado State Univ, Dept Atmospher Sci, Aerodyne Res Inc, Droplet Measurement Technologies, TSI Inc
HO Colorado State Univ, Ctr Arts
DE classic nucleation theory (CNT); community atmospheric model (CAM);
clouds; radiation
ID MODEL
AB We implement the Hoose et al. [2010] parameterization, which is based on the classic nucleation theory (CNT), into the Community Atmospheric Model version 5.1 (CAM5.1) to represent the ice nucleation in mixed-phase clouds in the model. With the implementation of this new heterogeneous ice nucleation in CAM5, we find that immersion freezing by mineral dust is the dominant ice formation process in mixed-phase clouds, followed by immersion freezing by soot. Compared to immersion freezing, deposition and contact nucleation by either dust or soot, are less important. We also examine the impact of this new parameterization on the global and Arctic clouds and radiation by comparing the results with those from the default CAM5.1.
C1 [Liu, Xiaohong; Wang, Yong] Pacific Northwest Natl Lab, Richland, WA 99352 USA.
[Hoose, Corinna] Karlsruhe Inst Technol, Meteorol Res Inst & Climate, Karlsruhe, Germany.
RP Liu, XH (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA.
FU DOE Office of Science; Battelle Memorial Institute [DE-AC06-76RLO 1830]
FX Support for X. Liu and Y. Wang was provided by the DOE Office of Science
Atmospheric System Research (ASR) Program and Earth System Modeling
Program.; The Pacific Northwest National Laboratory is operated for the
DOE by Battelle Memorial Institute under contract DE-AC06-76RLO 1830.
NR 2
TC 0
Z9 0
U1 0
U2 2
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1152-4
J9 AIP CONF PROC
PY 2013
VL 1527
BP 763
EP 765
DI 10.1063/1.4803383
PG 3
WC Physics, Applied
SC Physics
GA BFG32
UT WOS:000319766400191
ER
PT S
AU Raatikainen, T
Nenes, A
Seinfeld, JH
Morales, R
Moore, RH
Lathem, TL
Lance, S
Padro, LT
Lin, JJ
Cerully, KM
Bougiatioti, A
Cozic, J
Ruehl, C
Chuang, PY
Anderson, BE
Flagan, RC
Jonsson, H
Mihalopoulos, N
Smith, JN
AF Raatikainen, T.
Nenes, A.
Seinfeld, J. H.
Morales, R.
Moore, R. H.
Lathem, T. L.
Lance, S.
Padro, L. T.
Lin, J. J.
Cerully, K. M.
Bougiatioti, A.
Cozic, J.
Ruehl, C.
Chuang, P. Y.
Anderson, B. E.
Flagan, R. C.
Jonsson, H.
Mihalopoulos, N.
Smith, J. N.
BE DeMott, PJ
ODowd, CD
TI Constraining the Water Vapor Uptake Coefficient in Ambient Cloud Droplet
Formation
SO NUCLEATION AND ATMOSPHERIC AEROSOLS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 19th International Conference on Nucleation and Atmospheric Aerosols
(ICNAA)
CY JUN 23-28, 2013
CL Colorado State Univ, Ctr Arts, Fort Collins, CO
SP Comm Nucleat & Atmospher Aerosols (CNAA), Int Commiss Clouds & Precipitat (ICCP), Int Assoc Meteorol & Atmospher Sci (IAMAS), Int Union Geodesy & Geophys (IUGG), Natl Sci Fdn (NSF), Colorado State Univ, Dept Atmospher Sci, Aerodyne Res Inc, Droplet Measurement Technologies, TSI Inc
HO Colorado State Univ, Ctr Arts
DE Water uptake; kinetics; droplet formation
ID SIZE-RESOLVED CCN; ACTIVATION KINETICS; GROWTH-KINETICS; HYGROSCOPICITY;
AEROSOL; ENVIRONMENT; CHAMBER
AB Cloud droplet formation depends on the condensation of water vapor on ambient aerosols, the rate of which is strongly affected by the condensation (or mass accommodation) coefficient, alpha(c). Estimates of alpha(c) for droplet growth from activation of ambient particles vary considerably and represent a critical source of uncertainty in estimates of global cloud droplet distributions and the aerosol indirect forcing of climate. An analysis of ten globally relevant data sets of cloud condensation nuclei is used to constrain alpha(c), and find that rapid activation kinetics (alpha(c) > 0.1) is uniformly prevalent. This means that uncertainty in water vapor accommodation on droplets is less than previously thought and resolves a long-standing issue in cloud physics.
C1 [Raatikainen, T.; Nenes, A.; Morales, R.; Lathem, T. L.; Lance, S.; Lin, J. J.; Bougiatioti, A.] Georgia Inst Technol, Dept Earth & Atmospher Sci, Atlanta, GA 30332 USA.
[Raatikainen, T.] Finnish Meteorol Inst, FI-00101 Helsinki, Finland.
[Nenes, A.; Moore, R. H.; Padro, L. T.; Cerully, K. M.] Georgia Inst Technol, Dept Chem & Biomol Engn, Atlanta, GA 30332 USA.
[Nenes, A.; Mihalopoulos, N.] Inst Chem Engn & High Temp Chem Proc, Fdn Res & Technol, Patras GR-71110, Greece.
[Seinfeld, J. H.; Flagan, R. C.] CALTECH, Dept Chem Engn, Pasadena, CA 91106 USA.
[Seinfeld, J. H.; Flagan, R. C.] CALTECH, Dept Environm Sci & Engn, Pasadena, CA 91106 USA.
[Moore, R. H.; Anderson, B. E.] NASA, Langley Res Ctr, Hampton, VA 23681 USA.
[Lathem, T. L.] Phillips Res Ctr 66, Bartlesville, OK 74003 USA.
[Lance, S.] Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80305 USA.
[Lance, S.] SPEC Inc, Boulder, CO 8030 USA.
[Padro, L. T.] Tufts Univ, Dept Civil & Environm Engn, Medford, MA 02155 USA.
[Bougiatioti, A.] Univ Crete, Dept Chem, Iraklion GR-71003, Greece.
[Cozic, J.] Natl Ocean & Atmospher Adm, Div Chem Sci, Earth Syst Res Lab, Boulder, CO 80305 USA.
[Cozic, J.] Lab Glaciol & Geophys Environm, F-38402 Grenoble, France.
[Ruehl, C.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Chuang, P. Y.] Univ Calif Santa Cruz, Dept Earth & Planetary Sci, Santa Cruz, CA 95064 USA.
[Jonsson, H.] US Navy, Postgrad Sch, Monterey, CA 93943 USA.
RP Raatikainen, T (reprint author), Georgia Inst Technol, Dept Earth & Atmospher Sci, Atlanta, GA 30332 USA.
RI Mihalopoulos, Nikolaos/H-5327-2016
OI Mihalopoulos, Nikolaos/0000-0002-1282-0896
FU Finnish Cultural Foundation; Georgia Tech Institute Fellowships; NCAR
ASP; NASA; DOE Global Change Education Fellowship; NASA ESS Fellowships;
NASA Postdoctoral Fellowship; NSF; DOE; Electric Power Research
Institute; NSF-CAREER; NOAA
FX We acknowledge support from the Finnish Cultural Foundation, Georgia
Tech Institute Fellowships, a NCAR ASP Graduate Fellowship, the NASA
Graduate Student Researchers Program, a DOE Global Change Education
Fellowship, NASA ESS Fellowships, a NASA Postdoctoral Fellowship, and a
NSF Fellowship. Funding from the DOE, the Electric Power Research
Institute, a NSF-CAREER award, NOAA and NASA is also acknowledged. We
thank Dr. Xiaohong Liu for advice on using the CAM 5, Charles Brock from
the NOAA Earth System Research Laboratory and the NASA Langley LARGE
research team.
NR 18
TC 0
Z9 0
U1 0
U2 6
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1152-4
J9 AIP CONF PROC
PY 2013
VL 1527
BP 812
EP 816
DI 10.1063/1.4803395
PG 5
WC Physics, Applied
SC Physics
GA BFG32
UT WOS:000319766400203
ER
PT J
AU Zhou, YG
Yang, P
Zu, HY
Gao, F
Zu, XT
AF Zhou, Yungang
Yang, Ping
Zu, Haoyue
Gao, Fei
Zu, Xiaotao
TI Electronic structures and magnetic properties of MoS2 nanostructures:
atomic defects, nanoholes, nanodots and antidots
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID LAYER MOS2; QUANTUM DOTS; GRAPHENE; NANORIBBONS; NANOPARTICLES;
MONOLAYER; LATTICES
AB Developing approaches to effectively induce and control the magnetic states is critical to the use of magnetic nanostructures in quantum information devices but is still challenging. Here MoS2-based nanostructures including atomic defects, nanoholes, nanodots and antidots are characterized with spin-polarized density functional theory. The S-vacancy defect is more likely to form than the Mo-vacancy defect due to the form of Mo-Mo metallic bonds. Among different shaped nanoholes and nanodots, triangle ones associated with ferromagnetic characteristic are most energetically favorable, and exhibit unexpected large spin moments that scale linearly with edged length. In particular, S-terminated triangle nanodots show strong spin anisotropy around the Fermi level with a substantial collective characteristic of spin states at edges, enabling it to a desired spin-filtering structure. However, in the antidot, the net spin, coupled order and stability of spin states can be engineered by controlling type and distance of internal nanoholes. Based on the analysis of the spin coupled mechanism, a specific antidot structure, the only S-terminated antidot, was determined to exhibit a large net spin with long-range ferromagnetic coupling above room temperature. Given the recent achievement of graphene- and BN-based nanohole, nanodot and antidot structures, we believe that our calculated results are suitable for experimental verification and implementation opening a new path to explore MoS2-based magnetic nanostructures.
C1 [Zhou, Yungang; Zu, Haoyue; Zu, Xiaotao] Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China.
[Yang, Ping; Gao, Fei] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Zhou, YG (reprint author), Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China.
EM zhouyungang1@126.com; fei.gao@pnl.gov; xtzu@uestc.edu.cn
OI Yang, Ping/0000-0003-4726-2860
FU Fundamental Research Funds for the Central Universities; Environmental
Molecular Sciences Laboratory (EMSL); U. S. Department of Energy's
Office of Biological and Environmental Research, located at Pacific
Northwest National Laboratory (PNNL)
FX This work was supported by the Fundamental Research Funds for the
Central Universities. Ping Yang acknowledges partial support from the
Environmental Molecular Sciences Laboratory (EMSL) through its
intramural program. A portion of this research was performed using the
Environmental Molecular Sciences Laboratory, a national scientific user
facility sponsored by the U. S. Department of Energy's Office of
Biological and Environmental Research, located at Pacific Northwest
National Laboratory (PNNL). PNNL is operated by Battelle for the U. S.
Department of Energy.
NR 74
TC 47
Z9 49
U1 17
U2 236
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 25
BP 10385
EP 10394
DI 10.1039/c3cp50381j
PG 10
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 158BJ
UT WOS:000319943200040
PM 23681313
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI A Primer on MATHEMATICAL MODELS IN BIOLOGY Introduction
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Editorial Material; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 1
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 1
EP +
D2 10.1137/1.9781611972504
PG 23
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100001
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI Introduction to biochemical kinetics
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Editorial Material; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 13
EP 41
D2 10.1137/1.9781611972504
PG 29
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100002
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI Review of linear differential equations
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Review; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 43
EP 66
D2 10.1137/1.9781611972504
PG 24
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100003
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI Introduction to nondimensionalization and scaling
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Editorial Material; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 67
EP 82
D2 10.1137/1.9781611972504
PG 16
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100004
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI Qualitative behavior of simple differential equation models
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Editorial Material; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 1
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 83
EP 102
D2 10.1137/1.9781611972504
PG 20
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100005
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI Developing a model from the ground up: Case study of the spread of an
infection
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Editorial Material; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 103
EP 114
D2 10.1137/1.9781611972504
PG 12
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100006
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI Phase plane analysis
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Article; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 115
EP 144
D2 10.1137/1.9781611972504
PG 30
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100007
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI Quasi steady state and enzyme-mediated biochemical kinetics
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Article; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 145
EP 172
D2 10.1137/1.9781611972504
PG 28
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100008
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI Multiple subunit enzymes and proteins: Coperativity
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Article; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 173
EP 193
D2 10.1137/1.9781611972504
PG 21
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100009
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI Dynamic behavior of neuronal membranes
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Article; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 195
EP 225
D2 10.1137/1.9781611972504
PG 31
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100010
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI Excitable systems and the FitzHugh-Nagumo equations
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Article; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 227
EP 250
D2 10.1137/1.9781611972504
PG 24
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100011
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI Biochemical modules
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Article; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 251
EP 281
D2 10.1137/1.9781611972504
PG 31
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100012
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI Discrete networks of genes and cells
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Article; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 283
EP 310
D2 10.1137/1.9781611972504
PG 28
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100013
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI For further study
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Article; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 311
EP 336
D2 10.1137/1.9781611972504
PG 26
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100014
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI Extended exercises and projects
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Article; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 337
EP 353
D2 10.1137/1.9781611972504
PG 17
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100015
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI The Taylor approximation and Taylor series
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Article; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 355
EP 362
D2 10.1137/1.9781611972504
PG 8
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100016
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI Complex numbers
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Article; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 363
EP 366
D2 10.1137/1.9781611972504
PG 4
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100017
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI A review of basic theory of electricity
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Article; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 367
EP 377
D2 10.1137/1.9781611972504
PG 11
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100018
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI Proofs of Boolean algebra rules
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Article; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 379
EP 383
D2 10.1137/1.9781611972504
PG 5
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100019
ER
PT B
AU Segel, LA
Edelstein-Keshet, L
AF Segel, Lee A.
Edelstein-Keshet, Leah
BA Segel, LA
EdelsteinKeshet, L
BF Segel, LA
EdelsteinKeshet, L
TI XPP files for models in this book
SO PRIMER ON MATHEMATICAL MODELS IN BIOLOGY
LA English
DT Article; Book Chapter
C1 [Segel, Lee A.] Weizmann Inst Sci, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Weizmann Inst Sci, Sci Council, IL-76100 Rehovot, Israel.
[Segel, Lee A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Segel, Lee A.] Amer Assoc Advancement Sci, Washington, DC USA.
[Edelstein-Keshet, Leah] Univ British Columbia, Dept Math, Vancouver, BC, Canada.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SIAM
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
BN 978-1-611972-49-8
PY 2013
BP 385
EP 403
D2 10.1137/1.9781611972504
PG 19
WC Mathematics, Applied
SC Mathematics
GA BFG45
UT WOS:000319780100020
ER
PT J
AU Nikl, M
Yoshikawa, A
Kamada, K
Nejezchleb, K
Stanek, CR
Mares, JA
Blazek, K
AF Nikl, M.
Yoshikawa, A.
Kamada, K.
Nejezchleb, K.
Stanek, C. R.
Mares, J. A.
Blazek, K.
TI Development of LuAG-based scintillator crystals - A review
SO PROGRESS IN CRYSTAL GROWTH AND CHARACTERIZATION OF MATERIALS
LA English
DT Review
ID CHARGE-TRANSFER LUMINESCENCE; LU3AL5O12 SINGLE-CRYSTALS; EMISSION
MAMMOGRAPHY PEM; BAND-GAP SCINTILLATORS; GAMMA-RAY DETECTION;
PULLING-DOWN METHOD; GARNET CRYSTALS; YAG-CE; CZOCHRALSKI GROWTH;
ENERGY-TRANSFER
AB A review of research and development of Lu3Al5O12 (LuAG)-based single crystal scintillators is presented. Crystals of this type have been prepared by the micro-pulling down method at the initial stage of material screening and by Czochralski or Bridgman methods to obtain higher quality and larger size single crystals afterward. Several different activators, namely Ce3+, Pr3+, Yb3+ and Sc3+ have been reported in the literature and such doped LuAG single crystals have been extensively studied to understand a number of issues, including: the scintillation mechanism, underlying energy transfer and trapping processes including the nature and role of material defects involved in the scintillation process and their relation to manufacturing technology. Significant improvements in the understanding of aluminum garnet scintillators lead to the discovery of multicomponent garnet single crystal scintillators in 2011, which are described. These materials gave rise to new class of ultraefficient complex oxide scintillators, the light yield of which considerably exceeds the values achieved for the best Ce-doped orthosilicate scintillators. (C) 2013 Elsevier Ltd. All rights reserved.
C1 [Nikl, M.; Mares, J. A.] Inst Phys AS CR, Prague, Czech Republic.
[Yoshikawa, A.] Tohoku Univ, Inst Mat Res, Sendai, Miyagi, Japan.
[Kamada, K.] Furukawa Co Ltd, Mat Res Lab, Tsukuba, Ibaraki, Japan.
[Nejezchleb, K.; Blazek, K.] CRYTUR Spol Sro, Turnov, Czech Republic.
[Stanek, C. R.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
[Yoshikawa, A.; Kamada, K.] Tohoku Univ, New Ind Creat Hatchery Ctr, Sendai, Miyagi 980, Japan.
RP Yoshikawa, A (reprint author), Tohoku Univ, Inst Mat Res, Sendai, Miyagi, Japan.
EM yoshikawa@imr.tohoku.ac.jp
RI Yoshikawa, Akira/B-9986-2011
FU Czech Science Foundation [P204/12/0805]; Japan society for promotion of
science (JSPS); [GAAV KAN300100802]; [AV M100100910]
FX This research and article preparation was supported by Czech GAAV
KAN300100802, AV M100100910 and Czech Science Foundation P204/12/0805
projects. This work was partially supported by the funding program for
next generation world-leading researchers, Japan society for promotion
of science (JSPS). J. Tous is acknowledged for providing us photographs
for Figs. 2 and 22, W. Chewpraditkul for providing the data for Fig.
6(B).
NR 108
TC 69
Z9 73
U1 11
U2 135
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0960-8974
J9 PROG CRYST GROWTH CH
JI Prog. Cryst. Growth Charact. Mater.
PY 2013
VL 59
IS 2
BP 47
EP 72
DI 10.1016/j.pcrysgrow.2013.02.001
PG 26
WC Crystallography; Materials Science, Characterization & Testing
SC Crystallography; Materials Science
GA 160VF
UT WOS:000320147900001
ER
PT J
AU Kaya, Y
Piepel, GF
Caniyilmaz, E
AF Kaya, Yahya
Piepel, Greg F.
Caniyilmaz, Erdal
TI Development of a Rubber-Based Product Using a Mixture Experiment: A
Challenging Case Study
SO PROGRESS IN RUBBER PLASTICS AND RECYCLING TECHNOLOGY
LA English
DT Article
DE Rubber formulation; Product development; Experimental design; Mixture
experiment; Mixture models; Optimization
AB Many products used in daily life are made by blending two or more components. The properties of such products typically depend on the relative proportions of the components. Experimental design, modeling, and data analysis methods for mixture experiments provide for efficiently determining the component proportions that will yield a product with desired properties. This article presents a case study of the work performed to develop a new rubber formulation for an o-ring (a circular gasket) with requirements specified on 10 product properties. Each step of the study is discussed, including: 1) identifying the objective of the study and requirements for properties of the o-ring, 2) selecting the components to vary and specifying the component constraints, 3) constructing a mixture experiment design, 4) measuring the responses and assessing the data, 5) developing property-composition models, 6) selecting the new product formulation, and 7) confirming the selected formulation in manufacturing. The case study includes some challenging and new aspects, which are discussed in the article.
C1 [Kaya, Yahya] Erciyes Univ, Dept Mech Engn, TR-38039 Kayseri, Turkey.
[Piepel, Greg F.] Pacific NW Natl Lab, Richland, WA 99354 USA.
[Caniyilmaz, Erdal] Erciyes Univ, Dept Ind Engn, TR-38039 Kayseri, Turkey.
RP Kaya, Y (reprint author), Erciyes Univ, Dept Mech Engn, TR-38039 Kayseri, Turkey.
EM kayayahya@gmail.com
NR 17
TC 0
Z9 0
U1 1
U2 5
PU ISMITHERS-IRAPRA TECHNOLOGY LTD
PI SHREWSBURY
PA SHAWBURY, SHREWSBURY SY4 4NR, SHROPS, ENGLAND
SN 1477-7606
J9 PROG RUBBER PLAST RE
JI Prog. Rubber Plast. Recycl. Technol.
PY 2013
VL 29
IS 3
BP 123
EP 149
PG 27
WC Materials Science, Composites; Polymer Science
SC Materials Science; Polymer Science
GA 157JX
UT WOS:000319893500001
ER
PT S
AU Nguyen, BM
Liu, Y
Tang, W
Picraux, ST
Dayeh, SA
AF Binh-Minh Nguyen
Liu, Yang
Tang, Wei
Picraux, S. T.
Dayeh, Shadi A.
BE Razeghi, M
Tournie, E
Brown, GJ
TI Ultra-short channel field effect transistors based on Ge/Si core/shell
nanowires
SO QUANTUM SENSING AND NANOPHOTONIC DEVICES X
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Quantum Sensing and Nanophotonic Devices X
CY FEB 03-07, 2013
CL San Francisco, CA
SP SPIE
DE nanowires; Ge/Si core/shell; field effect transistor; ultra-short
channel
ID HETEROSTRUCTURES
AB In recent years, transistor technology has scaled down to sub-20 nm channel length with many performance-boosting techniques at the material and device levels in order to meet the increasing demand for higher performance electronics. The nanowire (NW) device architecture has proven itself as a viable candidate for the sub-20 nm generation transistors. Compared to Si NWs, the Ge/Si core/shell NW alternative can supply larger on-current due to the increased confined hole mobility and ohmic behavior at the Ni-alloyed drain/source contacts. It is thus important to understand transport mechanisms in this core/shell structure, and develop pathway to realize ultra-short channel core/shell NW field effect transistors (FETs).
In this paper, we report the growth of Ge/Si concentric NWs with precise control of Si shell thickness. Performance of FETs fabricated from core/shell NWs exhibited a clear dependence on NWs' diameters, with steeper sub-threshold slopes for smaller NWs. An 18 nm diameter Ge/Si heterostructure FET exhibited sub-threshold swing of 102 mV/decade, with a maximum transconductance of 3.4 mu S at V-DS =-100 mV. Finally, transmission electron microscopy was utilized to monitor and control the solid state reaction between Ni contacts and Ge/Si NWs, resulting in ultra-scaled channel lengths, as short as 5 nm.
C1 [Binh-Minh Nguyen; Picraux, S. T.; Dayeh, Shadi A.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
RP Nguyen, BM (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA.
EM minh@lanl.gov; sdayeh@ece.ucsd.edu
RI Tang, Wei/A-6917-2015
OI Tang, Wei/0000-0001-6113-7201
NR 9
TC 0
Z9 0
U1 0
U2 6
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9400-9
J9 PROC SPIE
PY 2013
VL 8631
AR UNSP 863118
DI 10.1117/12.2008676
PG 10
WC Nanoscience & Nanotechnology; Optics; Spectroscopy
SC Science & Technology - Other Topics; Optics; Spectroscopy
GA BFG30
UT WOS:000319759100024
ER
PT S
AU Craig, IM
Phillips, MC
Taubman, MS
Josberger, EE
Raschke, MB
AF Craig, Ian M.
Phillips, Mark C.
Taubman, Matthew S.
Josberger, Erik E.
Raschke, Markus B.
BE Razeghi, M
Tournie, E
Brown, GJ
TI Infrared scattering scanning near-field optical microscopy using an
external cavity quantum cascade laser for nanoscale chemical imaging and
spectroscopy of explosive residues
SO QUANTUM SENSING AND NANOPHOTONIC DEVICES X
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Quantum Sensing and Nanophotonic Devices X
CY FEB 03-07, 2013
CL San Francisco, CA
SP SPIE
DE s-SNOM; AFM; ECQCL; chemical imaging; infrared; nano-spectroscopy;
tetryl
ID ELASTIC LIGHT-SCATTERING; ABSORPTION-SPECTROSCOPY; TIP
AB Infrared scattering scanning near-field optical microscopy (s-SNOM) is an apertureless superfocusing technique that uses the antenna properties of a conducting atomic force microscope (AFM) tip to achieve infrared spatial resolution below the diffraction limit. The instrument can be used either in imaging mode, where a fixed wavelength light source is tuned to a molecular resonance and the AFM raster scans an image, or in spectroscopy mode where the AFM is held stationary over a feature of interest and the light frequency is varied to obtain a spectrum. In either case, a strong, stable, coherent infrared source is required. Here we demonstrate the integration of a broadly tunable external cavity quantum cascade laser (ECQCL) into an s-SNOM and use it to obtain infrared spectra of microcrystals of chemicals adsorbed onto gold substrates.
Residues of the explosive compound tetryl was deposited onto gold substrates. s-SNOM experiments were performed in the 1260-1400 cm(-1) tuning range of the ECQCL, corresponding to the NO2 symmetric stretch vibrational fingerprint region. Vibrational infrared spectra were collected on individual chemical domains with a collection area of similar to 500 nm(2) and compared to ensemble averaged far-field reflection-absorption infrared spectroscopy (RAIRS) results.
C1 [Craig, Ian M.; Phillips, Mark C.; Taubman, Matthew S.] Pacific NW Natl Lab, EMSL, Richland, WA 99352 USA.
RP Craig, IM (reprint author), Pacific NW Natl Lab, EMSL, 902 Battelle Blvd, Richland, WA 99352 USA.
RI Craig, Ian/C-3799-2009; Razeghi, Manijeh/B-7265-2009; Raschke,
Markus/F-8023-2013
OI Craig, Ian/0000-0003-4481-3700;
NR 26
TC 2
Z9 2
U1 0
U2 16
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9400-9
J9 PROC SPIE
PY 2013
VL 8631
AR UNSP 863110
DI 10.1117/12.2004954
PG 8
WC Nanoscience & Nanotechnology; Optics; Spectroscopy
SC Science & Technology - Other Topics; Optics; Spectroscopy
GA BFG30
UT WOS:000319759100019
ER
PT S
AU Phillips, MC
Craig, IM
Blake, TA
AF Phillips, Mark C.
Craig, Ian M.
Blake, Thomas A.
BE Razeghi, M
Tournie, E
Brown, GJ
TI Reflection-absorption infrared spectroscopy of thin films using an
external cavity quantum cascade laser
SO QUANTUM SENSING AND NANOPHOTONIC DEVICES X
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Quantum Sensing and Nanophotonic Devices X
CY FEB 03-07, 2013
CL San Francisco, CA
SP SPIE
DE Infrared spectroscopy; quantum cascade laser; tunable laser; explosives
detection; complex refractive index
ID METAL-SURFACES; MOLECULES
AB We present experimental demonstrations using a broadly tunable external cavity quantum cascade laser (ECQCL) to perform Reflection-Absorption InfraRed Spectroscopy (RAIRS) of thin layers and residues on surfaces. The ECQCL compliance voltage was used to measure fluctuations in the ECQCL output power and improve the performance of the RAIRS measurements. Absorption spectra from self-assembled monolayers of a fluorinated alkane thiol and a thiol carboxylic acid were measured and compared with FTIR measurements. RAIRS spectra of the explosive compounds PETN, RDX, and tetryl deposited on gold substrates were also measured. Rapid measurement times and low noise were demonstrated, with <1E-3 absorbance noise for a 10 second measurement time.
C1 [Phillips, Mark C.; Craig, Ian M.; Blake, Thomas A.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Phillips, MC (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA.
RI Craig, Ian/C-3799-2009; Razeghi, Manijeh/B-7265-2009
OI Craig, Ian/0000-0003-4481-3700;
NR 13
TC 2
Z9 2
U1 1
U2 8
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9400-9
J9 PROC SPIE
PY 2013
VL 8631
AR UNSP 86310C
DI 10.1117/12.2002849
PG 13
WC Nanoscience & Nanotechnology; Optics; Spectroscopy
SC Science & Technology - Other Topics; Optics; Spectroscopy
GA BFG30
UT WOS:000319759100005
ER
PT J
AU Li, C
Guo, XJ
He, YX
Jiang, Z
Wang, YX
Chen, SM
Fu, HY
Zou, Y
Dai, S
Wu, GZ
Xu, HJ
AF Li, Cheng
Guo, Xiaojing
He, Yaxing
Jiang, Zheng
Wang, Yaxing
Chen, Shimou
Fu, Haiying
Zou, Yang
Dai, Sheng
Wu, Guozhong
Xu, Hongjie
TI Compression of ionic liquid when confined in porous silica nanoparticles
SO RSC ADVANCES
LA English
DT Article
ID CARBON NANOTUBES; MELTING-POINT; MOLECULAR-DYNAMICS; SIMULATION;
REACTIVITY; EXAFS; WATER
AB [Emim]Br ionic liquid was confined in porous SiO2 nanoparticles. It is shown that the confinement in the nanopores leads to a compression of molecular size and an increase in the melting point. The pore size of SiO2 is a key factor in tuning the anion-cation distance and the melting point of the confined ionic liquids.
C1 [Li, Cheng; Guo, Xiaojing; He, Yaxing; Jiang, Zheng; Wang, Yaxing; Fu, Haiying; Zou, Yang; Wu, Guozhong; Xu, Hongjie] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
[Chen, Shimou] Chinese Acad Sci, Inst Proc Engn, Beijing 100190, Peoples R China.
[Dai, Sheng] Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN USA.
RP Li, C (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
EM wuguozhong@sinap.ac.cn
RI Chen, Shimou/G-4451-2010; Dai, Sheng/K-8411-2015
OI Dai, Sheng/0000-0002-8046-3931
FU National Natural Science Foundation of China [11079007, 11005148,
20973192, 10705046]; Basic Energy Sciences, U.S. Department of Energy
FX This work was supported by the National Natural Science Foundation of
China No. 11079007, 11005148, 20973192 and 10705046. XAFS analysis was
carried out at beamline BL14W1 (Shanghai Synchrotron Radiation
Facility). SD was supported by the Basic Energy Sciences, U.S.
Department of Energy.
NR 26
TC 11
Z9 11
U1 7
U2 79
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2013
VL 3
IS 25
BP 9618
EP 9621
DI 10.1039/c3ra40245b
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA 158BE
UT WOS:000319942700004
ER
PT J
AU Yang, X
Chang, ASP
Chen, B
Gu, C
Bond, TC
AF Yang, Xuan
Chang, Allan S. P.
Chen, Bin
Gu, Claire
Bond, Tiziana C.
TI High sensitivity gas sensing by Raman spectroscopy in photonic crystal
fiber
SO SENSORS AND ACTUATORS B-CHEMICAL
LA English
DT Article
DE Fiber sensor; Photonic crystal fiber; Raman spectroscopy; Gas sensing
ID SCATTERING; AIR
AB We report the highly sensitive Raman detection of various gases (ambient nitrogen, oxygen, and carbon dioxide) and vapors (toluene, acetone, and 1,1,1-trichloroethane) using a hollow core photonic crystal fiber probe. With a sensitivity enhancement of around 3 orders of magnitude over direct detection, the minimum instrumentation-limited detectable concentrations for toluene, acetone, 1,1,1-trichloroethane vapors are 0.04%, 0.01%, 1.2%, respectively, with a 30 cm-long fiber probe. Moreover, we demonstrate its multiplexed sensing capability quantitatively using a vapor mixture. This combination of Raman spectroscopy and photonic crystal fiber provides a promising platform for gas sensing in environmental control applications. (C) 2012 Elsevier B.V. All rights reserved.
C1 [Yang, Xuan; Chang, Allan S. P.; Bond, Tiziana C.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Yang, Xuan; Chen, Bin; Gu, Claire] Univ Calif Santa Cruz, Dept Elect Engn, Santa Cruz, CA 95064 USA.
[Chen, Bin] NASA, Ames Res Ctr, Adv Studies Labs, Moffett Field, CA 94035 USA.
RP Gu, C (reprint author), Univ Calif Santa Cruz, Dept Elect Engn, Santa Cruz, CA 95064 USA.
EM claire@soe.ucsc.edu; bond7@llnl.gov
FU National Science Foundation (NSF) [ECCS-0823921]; Lawrence Scholar
Program at LLNL; U.S. Department of Energy by LLNL [DE-AC52-07NA27344,
LLNL-JRNL-561331]
FX We acknowledge support from the National Science Foundation (NSF),
ECCS-0823921. X.Y. acknowledges financial support by the Lawrence
Scholar Program at LLNL. This work was performed under the auspices of
the U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344,
LLNL-JRNL-561331.
NR 19
TC 13
Z9 16
U1 1
U2 49
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0925-4005
J9 SENSOR ACTUAT B-CHEM
JI Sens. Actuator B-Chem.
PD JAN
PY 2013
VL 176
BP 64
EP 68
DI 10.1016/j.snb.2012.09.004
PG 5
WC Chemistry, Analytical; Electrochemistry; Instruments & Instrumentation
SC Chemistry; Electrochemistry; Instruments & Instrumentation
GA 157AM
UT WOS:000319867500010
ER
PT J
AU Shin, D
Besmann, TM
Armstrong, BL
AF Shin, Dongwon
Besmann, Theodore M.
Armstrong, Beth L.
TI Phase stability of noble metal loaded WO3 for SO2 sensor applications
SO SENSORS AND ACTUATORS B-CHEMICAL
LA English
DT Article
DE SO2; Semiconductor gas sensor; WO3; Ag/WO3; Thermodynamics; CALPHAD
ID GAS SENSORS; SENSING PROPERTIES; THIN-FILMS; TIO2
AB A thermodynamic phase stability investigation of semiconductor oxide materials for SO2 gas sensing applications has been performed to provide insight into understanding the working principles for SO2 sensing. Complex phase stabilities of noble metals (Au, Ag, Pd, and Pt) loaded WO3 semiconductor oxides for SO2 sensors have been investigated through the use of the CALPHAD (CALculation of PHAse Diagram) computational thermodynamics approach. Thermodynamic descriptions for the individual phases, i.e. SO2 gas, oxides, sulfides, and metal sulfates, are obtained from the Scientific Group Thermodata Europe (SGTE) Substance Database. Calculated isothermal sections of W-S-O show a significant phase transformation for WS2 at 400 degrees C. This phase transformation agrees with the previously reported experimental findings that the SO2 response of WO3 increases notably at that temperature. Ag-loaded WO3 in equilibrium with the SO2 gas exhibits very complex phase stabilities for the binary sulfide and ternary sulfate, while the other metals (Au, Pd and Pt) did not exhibit any notable phase transformations. The thermodynamic model predicts an allotropic phase transformation of the Ag2S phase near 500 degrees C in Ag/WO3-SO2 regardless of the Ag content, which differs from the reported experimental observation that 1.0 wt% Ag/WO3 exhibited SO2 sensor response at 450 degrees C. This discrepancy may be attributed to the fact that the solubility of Ag in the WO3 phase has not been considered in the thermodynamic model. Published by Elsevier B.V-.
C1 [Shin, Dongwon; Besmann, Theodore M.; Armstrong, Beth L.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RP Shin, D (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
EM shind@ornl.gov
RI Shin, Dongwon/C-6519-2008; Armstrong, Beth/E-6752-2017
OI Shin, Dongwon/0000-0002-5797-3423; Armstrong, Beth/0000-0001-7149-3576
FU US Department of Energy Office of Fossil Energy, National Energy
Technology Laboratory
FX The authors would like to thank the Oak Ridge National Laboratory (ORNL)
sensor research team, David West, Fred Montgomery, and Dane Wilson, for
their helpful discussions. This research was sponsored by the US
Department of Energy Office of Fossil Energy, National Energy Technology
Laboratory.
NR 23
TC 3
Z9 3
U1 6
U2 65
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0925-4005
J9 SENSOR ACTUAT B-CHEM
JI Sens. Actuator B-Chem.
PD JAN
PY 2013
VL 176
BP 75
EP 80
DI 10.1016/j.snb.2012.08.084
PG 6
WC Chemistry, Analytical; Electrochemistry; Instruments & Instrumentation
SC Chemistry; Electrochemistry; Instruments & Instrumentation
GA 157AM
UT WOS:000319867500012
ER
PT S
AU Torres, DA
De La Rosa, N
Cristancho, F
Tabor, SL
Kaye, RA
Solomon, GZ
Doring, J
Johns, GD
Devlin, M
Lerma, F
Sarantites, DG
Lee, IY
Macchiavelli, AO
Garzon, A
AF Torres, D. A.
De La Rosa, N.
Cristancho, F.
Tabor, S. L.
Kaye, R. A.
Solomon, G. Z.
Doering, J.
Johns, G. D.
Devlin, M.
Lerma, F.
Sarantites, D. G.
Lee, I. -Y.
Macchiavelli, A. O.
Garzon, A.
BE Melquiades, FL
Genezini, FA
Medina, NH
DosAnjos, RM
Avancini, SD
TI Band termination in normally deformed bands in Y-83
SO XXXV BRAZILIAN WORKSHOP ON NUCLEAR PHYSICS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 35th Brazilian Workshop on Nuclear Physics
CY SEP 02-06, 2012
CL Sao Sebastiao, BRAZIL
SP Brazilian Phys Soc (SBF), Fundacao Amparo Pesquisa Sao Paulo (FAPESP), Fundacao Amparo Pesquisa Rio de Janeiro (FAPERJ), Conselho Nacl Desenvolvimento Cientifico & Tecnologica, Coordenacao Aperfeicoamento Pessoal Nivel Super, Eletrobras Eletronuclear, SINC Brasil
DE Lifetimes; DSAM; Nuclear Deformation
AB Lifetimes in the negative parity favored signature have been studied up to the I-pi = 53/2(-) state in the Y-83(39) nucleus. The reaction Ni-58(S-32,alpha 3p) at E-lab - 135 MeV was utilized to populate high-spin states in Y-83. Lifetimes were measured using the Doppler shift attenuation method with the GAMMASPHERE and MICROBALL arrays. The evolution of the transitional quadrupole values are in agreement with a possible band termination.
C1 [Torres, D. A.; De La Rosa, N.; Cristancho, F.] Univ Nacl Colombia, Dept Fis, Bogota, Colombia.
[Tabor, S. L.; Kaye, R. A.; Solomon, G. Z.] Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA.
[Doering, J.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA.
[Johns, G. D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Devlin, M.; Sarantites, D. G.] Washington Univ, Dept Chem, St Louis, MO 63130 USA.
[Lee, I. -Y.; Macchiavelli, A. O.] Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA.
[Garzon, A.] Univ Sergio Arboleda, Sch Math, Bogota, Colombia.
RP Torres, DA (reprint author), Univ Nacl Colombia, Dept Fis, Bogota, Colombia.
RI Devlin, Matthew/B-5089-2013
OI Devlin, Matthew/0000-0002-6948-2154
NR 6
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1154-8
J9 AIP CONF PROC
PY 2013
VL 1529
BP 170
EP 173
DI 10.1063/1.4804112
PG 4
WC Physics, Nuclear
SC Physics
GA BFG29
UT WOS:000319754400039
ER
PT J
AU Crease, RP
AF Crease, Robert P.
TI Identity physics
SO PHYSICS WORLD
LA English
DT Editorial Material
C1 [Crease, Robert P.] SUNY Stony Brook, Dept Philosophy, Stony Brook, NY 11794 USA.
[Crease, Robert P.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Crease, RP (reprint author), SUNY Stony Brook, Dept Philosophy, Stony Brook, NY 11794 USA.
EM rcrease@notes.cc.sunysb.edu
NR 0
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0953-8585
J9 PHYS WORLD
JI Phys. World
PD JAN
PY 2013
VL 26
IS 1
BP 19
EP 19
PG 1
WC Physics, Multidisciplinary
SC Physics
GA 074UO
UT WOS:000313839700018
ER
PT J
AU Bowman, KW
Shindell, DT
Worden, HM
Lamarque, JF
Young, PJ
Stevenson, DS
Qu, Z
de la Torre, M
Bergmann, D
Cameron-Smith, PJ
Collins, WJ
Doherty, R
Dalsoren, SB
Faluvegi, G
Folberth, G
Horowitz, LW
Josse, BM
Lee, YH
MacKenzie, IA
Myhre, G
Nagashima, T
Naik, V
Plummer, DA
Rumbold, ST
Skeie, RB
Strode, SA
Sudo, K
Szopa, S
Voulgarakis, A
Zeng, G
Kulawik, SS
Aghedo, AM
Worden, JR
AF Bowman, K. W.
Shindell, D. T.
Worden, H. M.
Lamarque, J. F.
Young, P. J.
Stevenson, D. S.
Qu, Z.
de la Torre, M.
Bergmann, D.
Cameron-Smith, P. J.
Collins, W. J.
Doherty, R.
Dalsoren, S. B.
Faluvegi, G.
Folberth, G.
Horowitz, L. W.
Josse, B. M.
Lee, Y. H.
MacKenzie, I. A.
Myhre, G.
Nagashima, T.
Naik, V.
Plummer, D. A.
Rumbold, S. T.
Skeie, R. B.
Strode, S. A.
Sudo, K.
Szopa, S.
Voulgarakis, A.
Zeng, G.
Kulawik, S. S.
Aghedo, A. M.
Worden, J. R.
TI Evaluation of ACCMIP outgoing longwave radiation from tropospheric ozone
using TES satellite observations
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID INTERCOMPARISON PROJECT ACCMIP; BIOMASS BURNING EMISSIONS;
CHEMISTRY-CLIMATE MODELS; ATMOSPHERIC CHEMISTRY; TROPICAL TROPOSPHERE;
PREINDUSTRIAL TIMES; NADIR RETRIEVALS; SOUTHERN AFRICA; ZONAL STRUCTURE;
CARBON-DIOXIDE
AB We use simultaneous observations of tropospheric ozone and outgoing longwave radiation (OLR) sensitivity to tropospheric ozone from the Tropospheric Emission Spectrometer (TES) to evaluate model tropospheric ozone and its effect on OLR simulated by a suite of chemistry-climate models that participated in the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP). The ensemble mean of ACCMIP models show a persistent but modest tropospheric ozone low bias (5-20 ppb) in the Southern Hemisphere (SH) and modest high bias (5-10 ppb) in the Northern Hemisphere (NH) relative to TES ozone for 2005-2010. These ozone biases have a significant impact on the OLR. Using TES instantaneous radiative kernels (IRK), we show that the ACCMIP ensemble mean tropospheric ozone low bias leads up to 120 mW m(-2) OLR high bias locally but zonally compensating errors reduce the global OLR high bias to 39 +/- 41 mW m(-2) relative to TES data. We show that there is a correlation (R-2 = 0.59) between the magnitude of the ACCMIP OLR bias and the deviation of the ACCMIP preindustrial to present day (1750-2010) ozone radiative forcing (RF) from the ensemble ozone RF mean. However, this correlation is driven primarily by models whose absolute OLR bias from tropospheric ozone exceeds 100 mW m(-2). Removing these models leads to a mean ozone radiative forcing of 394 +/- 42 mW m(-2). The mean is about the same and the standard deviation is about 30% lower than an ensemble ozone RF of 384 +/- 60 mW m(-2) derived from 14 of the 16 ACCMIP models reported in a companion ACCMIP study. These results point towards a profitable direction of combining satellite observations and chemistry-climate model simulations to reduce uncertainty in ozone radiative forcing.
C1 [Bowman, K. W.; de la Torre, M.; Kulawik, S. S.; Worden, J. R.] CALTECH, Jet Prop Lab, Pasadena, CA 91125 USA.
[Shindell, D. T.; Faluvegi, G.; Lee, Y. H.] NASA, Goddard Inst Space Studies, New York, NY 10025 USA.
[Shindell, D. T.; Faluvegi, G.; Lee, Y. H.] Columbia Earth Inst, New York, NY USA.
[Worden, H. M.; Lamarque, J. F.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
[Young, P. J.] Univ Lancaster, Lancaster Environm Ctr, Lancaster, England.
[Stevenson, D. S.; Doherty, R.; MacKenzie, I. A.] Univ Edinburgh, Sch Geosci, Edinburgh, Midlothian, Scotland.
[Qu, Z.] Raytheon Intelligence & Informat Syst, Pasadena, CA USA.
[Bergmann, D.; Cameron-Smith, P. J.] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Collins, W. J.] Univ Reading, Dept Meteorol, Reading, Berks, England.
[Dalsoren, S. B.; Myhre, G.; Skeie, R. B.] Ctr Int Climate & Environm Res, Oslo, Norway.
[Folberth, G.; Rumbold, S. T.] Hadley Ctr, Met Off, Exeter, Devon, England.
[Horowitz, L. W.] NOAA, Geophys Fluid Dynam Lab, Princeton, NJ USA.
[Josse, B. M.] CNRS, GAME CNRM, Meteo France, Ctr Natl Rech Meteorol, Toulouse, France.
[Nagashima, T.] Natl Inst Environm Studies, Tsukuba, Ibaraki, Japan.
[Sudo, K.] Nagoya Univ, Grad Sch Environm Studies, Nagoya, Aichi 4648601, Japan.
[Naik, V.] NOAA, UCAR, Geophys Fluid Dynam Lab, Princeton, NJ USA.
[Plummer, D. A.] Environm Canada, Canadian Ctr Climate Modeling & Anal, Victoria, BC, Canada.
[Strode, S. A.] NASA, Goddard Space Flight Ctr, Columbia, MD USA.
[Strode, S. A.] Univ Space Res Assoc, Columbia, MD 90034 USA.
[Szopa, S.] Lab Sci Climat & Environm, Gif Sur Yvette, France.
[Zeng, G.] Natl Inst Water & Atmospher Res, Lauder, New Zealand.
[Voulgarakis, A.] Univ London Imperial Coll Sci Technol & Med, Dept Phys, London, England.
[Aghedo, A. M.] Rice Univ, Houston, TX USA.
RP Bowman, KW (reprint author), CALTECH, Jet Prop Lab, Pasadena, CA 91125 USA.
EM kevin.bowman@jpl.nasa.gov
RI Lee, Yunha/Q-7222-2016; Strode, Sarah/H-2248-2012; Manager, CSD
Publications/B-2789-2015; Young, Paul/E-8739-2010; Lamarque,
Jean-Francois/L-2313-2014; Myhre, Gunnar/A-3598-2008; Skeie,
Ragnhild/K-1173-2015; Collins, William/A-5895-2010; Stevenson,
David/C-8089-2012; Cameron-Smith, Philip/E-2468-2011; Szopa,
Sophie/F-8984-2010; Shindell, Drew/D-4636-2012; Horowitz,
Larry/D-8048-2014; Bergmann, Daniel/F-9801-2011; Naik,
Vaishali/A-4938-2013
OI Lee, Yunha/0000-0001-7478-2672; Strode, Sarah/0000-0002-8103-1663;
Young, Paul/0000-0002-5608-8887; Lamarque,
Jean-Francois/0000-0002-4225-5074; Myhre, Gunnar/0000-0002-4309-476X;
Skeie, Ragnhild/0000-0003-1246-4446; Collins,
William/0000-0002-7419-0850; Stevenson, David/0000-0002-4745-5673;
Cameron-Smith, Philip/0000-0002-8802-8627; Szopa,
Sophie/0000-0002-8641-1737; Horowitz, Larry/0000-0002-5886-3314;
Bergmann, Daniel/0000-0003-4357-6301; Naik, Vaishali/0000-0002-2254-1700
FU NASA; National Science Foundation; NASA Aura ROSES program;
International Global Atmospheric Chemistry (IGAC) and Stratospheric
Processes And their Role in Climate (SPARC) under the International
Geosphere-Biosphere Project (IGBP); World Climate Research Program
(WCRP); Office of Science (BER) of the US Department of Energy; New
Zealand Ministry of Science and Innovation; US Dept. of Energy (BER)
under LLNL [DE-AC52-07NA27344, DE-AC02-05CH11231]; US Department of
Energy Office of Science Decadal and Regional Climate Prediction using
Earth System Models (EaSM) program; DOE [DE-AC06-76RLO 1830]; DECC
[GA01101]; Defra Integrated Climate Programme [GA01101]; NASA Modeling,
Analysis and Prediction program; Environment Research and Technology
Development Fund of the Ministry of the Environment, Japan [S-7]; cross
UK research council [NE/I008063/1]; NASA MAP program; NASA ACMAP program
FX This research was carried out at the Jet Propulsion Laboratory,
California Institute of Technology, under a contract with NASA. The TES
monthly ozone and IRK dataset was developed using techniques from the
obs4MIP activity (http://obs4mips.llnl.gov:8080/wiki/); The National
Center for Atmospheric Research (NCAR) is sponsored by the National
Science Foundation.; KB and HW acknowledges the support of the NASA Aura
ROSES program. KB also acknowledges some useful codes from Adetutu
Aghedo and Rachel Hodos in the initial processing of TES data to netcdf
files.; ACCMIP is organized under the auspices of Atmospheric Chemistry
and Climate (AC&C), a project of International Global Atmospheric
Chemistry (IGAC) and Stratospheric Processes And their Role in Climate
(SPARC) under the International Geosphere-Biosphere Project (IGBP) and
World Climate Research Program (WCRP).; The CESM project is supported by
the National Science Foundation and the Office of Science (BER) of the
US Department of Energy.; GZ acknowledges NIWA HPCF facility and funding
from New Zealand Ministry of Science and Innovation.; The work of DB and
PC was funded by the US Dept. of Energy (BER), performed under the
auspices of LLNL under Contract DE-AC52-07NA27344, and used the
supercomputing resources of NERSC under contract No. DE-AC02-05CH11231.;
Ghan was supported by the US Department of Energy Office of Science
Decadal and Regional Climate Prediction using Earth System Models (EaSM)
program. The Pacific Northwest National Laboratory (PNNL) is operated
for the DOE by Battelle Memorial Institute under contract DE-AC06-76RLO
1830.; W. J. Collins, G. A. Folberth, F. O'Connor and S. T. Rumbold were
supported by the Joint DECC and Defra Integrated Climate Programme
(GA01101).; The GEOSCCM work was supported by the NASA Modeling,
Analysis and Prediction program, with computing resources provided by
NASA's High-End Computing Program through the NASA Advanced
Supercomputing Division.; The MIROC-CHEM calculations were performed on
the NIES supercomputer system (NEC SX-8R), and supported by the
Environment Research and Technology Development Fund (S-7) of the
Ministry of the Environment, Japan.; The STOC-HadAM3 work was supported
by cross UK research council grant NE/I008063/1 and used facilities
provided by the UK's national high-performance computing service,
HECToR, through Computational Modelling Services (CMS), part of the NERC
National Centre for Atmospheric Science (NCAS).; DS and Y. H. Lee
acknowledges support from the NASA MAP and ACMAP programs.
NR 86
TC 15
Z9 17
U1 2
U2 32
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2013
VL 13
IS 8
BP 4057
EP 4072
DI 10.5194/acp-13-4057-2013
PG 16
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 137IF
UT WOS:000318428300009
ER
PT J
AU Li, Z
Zang, Z
Li, QB
Chao, Y
Chen, D
Ye, Z
Liu, Y
Liou, KN
AF Li, Z.
Zang, Z.
Li, Q. B.
Chao, Y.
Chen, D.
Ye, Z.
Liu, Y.
Liou, K. N.
TI A three-dimensional variational data assimilation system for multiple
aerosol species with WRF/Chem and an application to PM2.5 prediction
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID STATISTICAL-INTERPOLATION; ERROR STATISTICS; MODELING SYSTEM;
RETRIEVALS; CHEMISTRY; SMOOTHER; DYNAMICS; MODULE; SCHEME; OZONE
AB A three-dimensional variational data assimilation (3-DVAR) algorithm for aerosols in a WRF/Chem model is presented. The WRF/Chem model uses the MOSAIC (Model for Simulating Aerosol Interactions and Chemistry) scheme, which explicitly treats eight major species (elemental/black carbon, organic carbon, nitrate, sulfate, chloride, ammonium, sodium and the sum of other inorganic, inert mineral and metal species) and represents size distributions using a sectional method with four size bins. The 3-DVAR scheme is formulated to take advantage of the MOSAIC scheme in providing comprehensive analyses of species concentrations and size distributions. To treat the large number of state variables associated with the MOSAIC scheme, this 3-DVAR algorithm first determines the analysis increments of the total mass concentrations of the eight species, defined as the sum of the mass concentrations across all size bins, and then distributes the analysis increments over four size bins according to the background error variances. The number concentrations for each size bin are adjusted based on the ratios between the mass and number concentrations of the background state. Additional flexibility is incorporated to further lump the eight mass concentrations, and five lumped species are used in the application presented. The system is evaluated using the analysis and prediction of PM2.5 in the Los Angeles basin during the CalNex 2010 field experiment, with assimilation of surface PM2.5 and speciated concentration observations. The results demonstrate that the data assimilation significantly reduces the errors in comparison with a simulation without data assimilation and improved forecasts of the concentrations of PM2.5 as well as individual species for up to 24 h. Some implementation difficulties and limitations of the system are discussed.
C1 [Li, Z.] CALTECH, Jet Prop Lab, Pasadena, CA 91125 USA.
[Li, Z.; Zang, Z.; Li, Q. B.; Chao, Y.; Chen, D.; Ye, Z.; Liou, K. N.] Univ Calif Los Angeles, Joint Inst Reg Earth Syst Sci & Engn, Los Angeles, CA USA.
[Li, Q. B.; Liou, K. N.] Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Los Angeles, CA USA.
[Liu, Y.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Chao, Y.] Remote Sensing Solut Inc, Pasadena, CA USA.
RP Li, Z (reprint author), CALTECH, Jet Prop Lab, Pasadena, CA 91125 USA.
EM zhijin.li@jpl.nasa.gov
RI Liu, Yangang/H-6154-2011; Chen, Dan/R-4486-2016
FU National Aeronautics and Space Administration (NASA); US Department of
Energy Earth System Modelling (ESM) programme via the FASTER project;
JPL Director's Research and Development Fund (DRDF); NASA from the
Atmospheric Chemistry Modelling and Analysis Programme (ACMAP)
[NNX09AF07G, NNX08AF64G]
FX The research described in this publication was carried out, in part, at
the Jet Propulsion Laboratory (JPL), California Institute of Technology,
under a contract with the National Aeronautics and Space Administration
(NASA). This research was supported in part by the US Department of
Energy Earth System Modelling (ESM) programme via the FASTER project
http://www.bnl.gov/faster/, the JPL Director's Research and Development
Fund (DRDF), and NASA grants NNX09AF07G and NNX08AF64G from the
Atmospheric Chemistry Modelling and Analysis Programme (ACMAP). The
careful and constructive reviews by two anonymous referees are highly
appreciated.
NR 45
TC 11
Z9 12
U1 5
U2 38
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2013
VL 13
IS 8
BP 4265
EP 4278
DI 10.5194/acp-13-4265-2013
PG 14
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 137IF
UT WOS:000318428300020
ER
PT J
AU Newman, S
Jeong, S
Fischer, ML
Xu, X
Haman, CL
Lefer, B
Alvarez, S
Rappenglueck, B
Kort, EA
Andrews, AE
Peischl, J
Gurney, KR
Miller, CE
Yung, YL
AF Newman, S.
Jeong, S.
Fischer, M. L.
Xu, X.
Haman, C. L.
Lefer, B.
Alvarez, S.
Rappenglueck, B.
Kort, E. A.
Andrews, A. E.
Peischl, J.
Gurney, K. R.
Miller, C. E.
Yung, Y. L.
TI Diurnal tracking of anthropogenic CO2 emissions in the Los Angeles basin
megacity during spring 2010
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID FOSSIL-FUEL CO2; ION-SOURCE DEVELOPMENT; CARBON-DIOXIDE; BOUNDARY-LAYER;
ATMOSPHERIC OBSERVATIONS; AIRBORNE MEASUREMENTS; AIR-POLLUTION; GAS
EMISSIONS; STILT MODEL; CEILOMETER
AB Attributing observed CO2 variations to human or natural cause is critical to deducing and tracking emissions from observations. We have used in situ CO2, CO, and planetary boundary layer height (PBLH) measurements recorded during the CalNex-LA (CARB et al., 2008) ground campaign of 15 May-15 June 2010, in Pasadena, CA, to deduce the diurnally varying anthropogenic component of observed CO2 in the megacity of Los Angeles (LA). This affordable and simple technique, validated by carbon isotope observations and WRF-STILT (Weather Research and Forecasting model - Stochastic Time-Inverted Lagrangian Transport model) predictions, is shown to robustly attribute observed CO2 variation to anthropogenic or biogenic origin over the entire diurnal cycle. During CalNex-LA, local fossil fuel combustion contributed up to similar to 50% of the observed CO2 enhancement overnight, and similar to 100% of the enhancement near midday. This suggests that sufficiently accurate total column CO2 observations recorded near midday, such as those from the GOSAT or OCO-2 satellites, can potentially be used to track anthropogenic emissions from the LA megacity.
C1 [Newman, S.; Yung, Y. L.] CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA.
[Jeong, S.; Fischer, M. L.] EO Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Xu, X.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA.
[Haman, C. L.; Lefer, B.; Alvarez, S.; Rappenglueck, B.] Univ Houston, Dept Earth & Atmospher Sci, Houston, TX 77004 USA.
[Kort, E. A.; Miller, C. E.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA.
[Andrews, A. E.] NOAA ESRL Global Monitoring Div, Boulder, CO 80305 USA.
[Peischl, J.] NOAA ESRL Chem Sci Div, Boulder, CO 80305 USA.
[Gurney, K. R.] Arizona State Univ, Sch Life Sci, Tempe, AZ 85287 USA.
RP Newman, S (reprint author), CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA.
EM sally@gps.caltech.edu
RI Peischl, Jeff/E-7454-2010; Kort, Eric/F-9942-2012; Andrews,
Arlyn/K-3427-2012; Manager, CSD Publications/B-2789-2015
OI Peischl, Jeff/0000-0002-9320-7101; Kort, Eric/0000-0003-4940-7541;
FU JPL's Director's Research and Development Fund; Office of Science, of
the US Department of Energy [DE-AC02-05CH11231]; Keck Institute for
Space Studies
FX We appreciate productive discussions with Paul Wennberg, Debra Wunch,
Michael Line, Xi Zhang, Run-Lie Shia, and Joshua Kammer. WRF winds for
the time-averaged footprints during the CalNex period were provided by
Wayne Angevine of NOAA (Earth System Research Laboratory; ESRL). We
thank Paul Novelli and Colm Sweeney of NOAA-ESRL for sharing their data
that went into the NOAA background curtain product from which we
calculated the time-varying background for CO. John S. Holloway (NOAA
ESRL) provided the measurements of CO from the P3 aircraft profiles. As
part of the CalNex-LA campaign, we gratefully acknowledge the support of
Caltech and the California Air Resources Board in making the campaign
successful. TCCON data (version GGG2012) were obtained from the TCCON
Data Archive, operated by the California Institute of Technology, from
the website at http://tccon.ipac.caltech.edu/. SN acknowledges financial
support from JPL's Director's Research and Development Fund. Analysis by
MLF and SJ was supported by the Director, Office of Science, of the US
Department of Energy under Contract No. DE-AC02-05CH11231. We
acknowledge the Keck Institute for Space Studies for financial support
of publication costs and contribution by EAK.
NR 64
TC 29
Z9 30
U1 2
U2 44
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2013
VL 13
IS 8
BP 4359
EP 4372
DI 10.5194/acp-13-4359-2013
PG 14
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 137IF
UT WOS:000318428300027
ER
PT J
AU Zhang, K
Liu, X
Wang, M
Comstock, JM
Mitchell, DL
Mishra, S
Mace, GG
AF Zhang, K.
Liu, X.
Wang, M.
Comstock, J. M.
Mitchell, D. L.
Mishra, S.
Mace, G. G.
TI Evaluating and constraining ice cloud parameterizations in CAM5 using
aircraft measurements from the SPARTICUS campaign
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID COMMUNITY ATMOSPHERE MODEL; CIRRUS MICROPHYSICAL PROPERTIES; HOMOGENEOUS
NUCLEATION RATE; UPPER-TROPOSPHERIC CLOUDS; GLOBAL CLIMATE MODEL; PART
I; NUMERICAL-SIMULATION; EFFECTIVE DIAMETER; RELATIVE-HUMIDITY;
VERSION-3 CAM3
AB This study uses aircraft measurements of relative humidity and ice crystal size distribution collected during the SPARTICUS (Small PARTicles In CirrUS) field campaign to evaluate and constrain ice cloud parameterizations in the Community Atmosphere Model version 5. About 200 h of data were collected during the campaign between January and June 2010, providing the longest aircraft measurements available so far for cirrus clouds in the midlatitudes. The probability density function (PDF) of ice crystal number concentration (N-i) derived from the high-frequency (1 Hz) measurements features a strong dependence on ambient temperature. As temperature decreases from -35 degrees C to -62 degrees C, the peak in the PDF shifts from 10-20 L-1 to 200-1000 L-1, while N-i shows a factor of 6-7 increase.
Model simulations are performed with two different ice nucleation schemes for pure ice-phase clouds. One of the schemes can reproduce a clear increase of N-i with decreasing temperature by using either an observation-based ice nuclei spectrum or a classical-theory-based spectrum with a relatively low (5-10 %) maximum freezing ratio for dust aerosols. The simulation with the other scheme, which assumes a high maximum freezing ratio (100 %), shows much weaker temperature dependence of N-i. Simulations are also performed to test empirical parameters related to water vapor deposition and the autoconversion of ice crystals to snow. Results show that a value between 0.05 and 0.1 for the water vapor deposition coefficient, and 250 mu m for the critical diameter that distinguishes ice crystals from snow, can produce good agreement between model simulation and the SPARTICUS measurements in terms of N-i and effective radius. The climate impact of perturbing these parameters is also discussed.
C1 [Zhang, K.; Liu, X.; Wang, M.; Comstock, J. M.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Mitchell, D. L.; Mishra, S.] Univ Nevada, Desert Res Inst, Reno, NV 89506 USA.
[Mishra, S.] CIMMS, Norman, OK USA.
[Mace, G. G.] Univ Utah, Dept Meteorol, Salt Lake City, UT 84112 USA.
RP Zhang, K (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM kai.zhang@pnnl.gov
RI Wang, Minghuai/E-5390-2011; Liu, Xiaohong/E-9304-2011; Zhang,
Kai/F-8415-2010
OI Wang, Minghuai/0000-0002-9179-228X; Liu, Xiaohong/0000-0002-3994-5955;
Zhang, Kai/0000-0003-0457-6368
FU NASA Modeling, Analysis and Prediction (MAP) Program; DOE Atmospheric
System Research (ASR) Program; DOE Atmospheric Radiation Measurement
(ARM) Program; DOE [DE-AC06-76RLO 1830]
FX We thank Paul Lawson (SPEC Inc.) for his help with the ice crystal
number concentration measured by the 2D-S probe and Glenn S. Diskin
(NASA Langley Research Center) for the DLH water vapor measurements. We
are also grateful to Xiangjun Shi (IAP/CAS), Eric Jensen (NASA Ames),
Donifan Barahona (NASA GSFC), Hugh Morrison (NCAR), and Phil Rasch for
helpful discussions. Comments and suggestions from Hui Wan provided
through the PNNL internal review are highly appreciated. We also thank
the two anonymous referees for their helpful reviews. Kai Zhang and
Xiaohong Liu acknowledge support from the NASA Modeling, Analysis and
Prediction (MAP) Program. Xiaohong Liu and Minghuai Wang acknowledge
support from the DOE Atmospheric System Research (ASR) Program. Jennifer
M. Comstock was supported by the DOE Atmospheric Radiation Measurement
(ARM) Program. The Pacific Northwest National Laboratory is operated for
DOE by Battelle Memorial Institute under contract DE-AC06-76RLO 1830.
NR 90
TC 20
Z9 20
U1 1
U2 27
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2013
VL 13
IS 9
BP 4963
EP 4982
DI 10.5194/acp-13-4963-2013
PG 20
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 144LR
UT WOS:000318941300031
ER
PT J
AU Lance, S
Raatikainen, T
Onasch, TB
Worsnop, DR
Yu, XY
Alexander, ML
Stolzenburg, MR
McMurry, PH
Smith, JN
Nenes, A
AF Lance, S.
Raatikainen, T.
Onasch, T. B.
Worsnop, D. R.
Yu, X. -Y.
Alexander, M. L.
Stolzenburg, M. R.
McMurry, P. H.
Smith, J. N.
Nenes, A.
TI Aerosol mixing state, hygroscopic growth and cloud activation efficiency
during MIRAGE 2006
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID AERODYNAMIC DIAMETER MEASUREMENTS; DIFFERENTIAL MOBILITY ANALYZER;
BIOMASS BURNING SMOKE; MEGA-CITY GUANGZHOU; MEXICO-CITY; CONDENSATION
NUCLEI; PART 1; CCN ACTIVATION; BOREAL FOREST; DENSITY CHARACTERIZATION
AB Observations of aerosol hygroscopic growth and CCN activation spectra for submicron particles are reported for the T1 ground site outside of Mexico City during the MIRAGE 2006 campaign. kappa-Kohler theory is used to evaluate the characteristic hygroscopicity parameter, kappa*, for the CCN active aerosol population using both size-resolved HTMDA and size-resolved CCNc measurements. Organic mass fractions (f(org)) are evaluated from size-resolved aerosol mass spectrometer (AMS) measurements, from which predictions of the hygroscopicity parameter are compared against kappa*. Strong diurnal changes in aerosol water uptake parameters and aerosol composition are observed. We find that new particle formation (NPF) events are correlated with an increased kappa* and CCN-active fraction during the daytime, with greater impact on smaller particles. During NPF events, the number concentration of 40 nm particles acting as CCN at 0.51%+/- 0.06% supersaturation can surpass by more than a factor of two the corresponding concentrations of 100 nm particles. We also find that at 06:00-08:00 LT throughout the campaign, fresh traffic emissions result in substantial changes to the chemical distribution of the aerosol, with on average 65% externally mixed fraction for 40 nm particles and 30% externally mixed fraction for 100 nm particles, whereas at midday nearly all particles of both sizes can be described as "internally mixed". Average activation spectra and growth factor distributions are analyzed for different time periods characterizing the daytime (with and without NPF events), the early morning "rush hour" and the entire campaign. We show that kappa* derived from CCNc measurements decreases as a function of size during all time periods, while the CCN-active fraction increases as a function of size. Size-resolved AMS measurements do not predict the observed trend for kappa* versus particle size, which can be attributed to unresolved mixing state and the presence of refractory material not measured by the AMS. Measured kappa* typically ranges from 0.2 to 0.35, and organics typically make up 60-85% of the aerosol mass in the size range studied. We show that kappa(AMS) is able to describe CCN concentrations reasonably well, provided mixing-state information is available, especially at the highest CCN concentrations. This is consistent with other CCN studies carried out in urban environments, and is partly due to the fact that the highest CCN concentrations occur during the daytime when the aerosol is internally mixed. During the early morning rush hour, however, failing to account for the aerosol mixing state results in systematic overestimation of CCN concentrations by as much as 50-100% on average.
C1 [Lance, S.; Raatikainen, T.; Nenes, A.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA.
[Lance, S.] NOAA, Earth Syst Res Lab, Boulder, CO USA.
[Lance, S.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA.
[Lance, S.; Smith, J. N.] Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80307 USA.
[Raatikainen, T.] Finnish Meteorol Inst, FIN-00101 Helsinki, Finland.
[Onasch, T. B.; Worsnop, D. R.] Aerodyne Res Inc, Billerica, MA 01821 USA.
[Yu, X. -Y.; Alexander, M. L.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Stolzenburg, M. R.; McMurry, P. H.] Univ Minnesota, Dept Mech Engn, Minneapolis, MN 55455 USA.
[Nenes, A.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA.
RP Nenes, A (reprint author), Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA.
EM athanasios.nenes@gatech.edu
RI Worsnop, Douglas/D-2817-2009; Smith, James/C-5614-2008; Raatikainen,
Tomi/C-5410-2014; Yu, Xiao-Ying/L-9385-2013; McMurry, Peter/A-8245-2008;
Manager, CSD Publications/B-2789-2015
OI Worsnop, Douglas/0000-0002-8928-8017; Smith, James/0000-0003-4677-8224;
Yu, Xiao-Ying/0000-0002-9861-3109; McMurry, Peter/0000-0003-1609-5131;
FU Georgia Tech Presidential Fellowship; NCAR ASP Fellowship; NSF CAREER
grant; Finnish Cultural Foundation; DOE [DE-FG-02-05ER63997,
DE-FG02-05ER63982]; NSF [ATM-0528170]; DOE Biological and Environmental
(BER) Atmospheric System Research (ASR) grant
[DE-AC05-76RLO1830/KP1701000/57131]; NOAA
FX S. Lance was supported by a Georgia Tech Presidential Fellowship and
NCAR ASP Fellowship. A. Nenes acknowledges support from an NSF CAREER
grant. T. Raatikainen acknowledges funding support from the Finnish
Cultural Foundation. University of Minnesota researchers were supported
by DOE grant DE-FG-02-05ER63997. T. Onasch and D. Worsnop acknowledge
DOE grant DE-FG02-05ER63982 and NSF grant ATM-0528170. Thanks to Jeff
Gaffney and Nancy Marley at the University of Arkansas at Little Rock
for meteorological and ultraviolet solar insolation data at the T1 site
during MIRAGE 2006. X.-Y. Yu acknowledges the support from the DOE
Biological and Environmental (BER) Atmospheric System Research (ASR)
grant under contract DE-AC05-76RLO1830/KP1701000/57131. PNNL is operated
by the US DOE by Battelle Memorial Institute. This work was also
supported by NOAA climate and air quality programs.
NR 42
TC 17
Z9 18
U1 1
U2 54
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2013
VL 13
IS 9
BP 5049
EP 5062
DI 10.5194/acp-13-5049-2013
PG 14
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 144LR
UT WOS:000318941300036
ER
PT J
AU Kasimatis, G
Fitz-Gibbon, S
Tomida, S
Wong, M
Li, HY
AF Kasimatis, Gabriela
Fitz-Gibbon, Sorel
Tomida, Shuta
Wong, Marthew
Li, Huiying
TI Analysis of Complete Genomes of Propionibacterium acnes Reveals a Novel
Plasmid and Increased Pseudogenes in an Acne Associated Strain
SO BIOMED RESEARCH INTERNATIONAL
LA English
DT Article
ID LINEAR PLASMIDS; BORRELIA-BURGDORFERI; IMPROVE OUTCOMES; SKIN
MICROBIOME; GLOBAL ALLIANCE; SEQUENCE; VIRULENCE; BACTERIA; WIDESPREAD;
MANAGEMENT
AB The human skin harbors a diverse community of bacteria, including the Gram-positive, anaerobic bacterium Propionibacterium acnes. P. acnes has historically been linked to the pathogenesis of acne vulgaris, a common skin disease affecting over 80% of all adolescents in the US. To gain insight into potential P. acnes pathogenic mechanisms, we previously sequenced the complete genome of a P. acnes strain HL096PA1 that is highly associated with acne. In this study, we compared its genome to the first published complete genome KPA171202. HL096PA1 harbors a linear plasmid, pIMPLE-HL096PA1. This is the first described P. acnes plasmid. We also observed a five-fold increase of pseudogenes in HL096PA1, several of which encode proteins in carbohydrate transport and metabolism. In addition, our analysis revealed a few island-like genomic regions that are unique to HL096PA1 and a large genomic inversion spanning the ribosomal operons. Together, these findings offer a basis for understanding P. acnes virulent properties, host adaptation mechanisms, and its potential role in acne pathogenesis at the strain level. Furthermore, the plasmid identified in HL096PA1 may potentially provide a new opportunity for P. acnes genetic manipulation and targeted therapy against specific disease-associated strains.
C1 [Kasimatis, Gabriela; Fitz-Gibbon, Sorel; Tomida, Shuta; Wong, Marthew; Li, Huiying] Univ Calif Los Angeles, Crump Inst Mol Imaging, Dept Mol & Med Pharmacol, Los Angeles, CA 90095 USA.
[Li, Huiying] Univ Calif Los Angeles, DOE Inst Genom & Prote, Los Angeles, CA 90095 USA.
RP Li, HY (reprint author), Univ Calif Los Angeles, Crump Inst Mol Imaging, Dept Mol & Med Pharmacol, Los Angeles, CA 90095 USA.
EM huiying@mednet.ucla.edu
FU NIH Human Microbiome Project from NIAMS [UH2AR057503]
FX The authors thank Lin Lin for her technical support in finishing the
HL096PA1 genome. They also thank Anya Loncaric and Dr. Robert Modlin at
UCLA for providing HL096PA1 strain. This research was partly funded by
one of the demonstration projects by the NIH Human Microbiome Project
under Grant no. UH2AR057503 from NIAMS.
NR 46
TC 13
Z9 13
U1 0
U2 20
PU HINDAWI PUBLISHING CORPORATION
PI NEW YORK
PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA
SN 2314-6133
J9 BIOMED RES INT
JI Biomed Res. Int.
PY 2013
AR 918320
DI 10.1155/2013/918320
PG 11
WC Biotechnology & Applied Microbiology; Medicine, Research & Experimental
SC Biotechnology & Applied Microbiology; Research & Experimental Medicine
GA 153JC
UT WOS:000319596700001
ER
PT J
AU Wong-Ng, W
Culp, JT
Chen, YS
Zavalij, P
Espinal, L
Siderius, DW
Allen, AJ
Scheins, S
Matranga, C
AF Wong-Ng, W.
Culp, J. T.
Chen, Y. S.
Zavalij, P.
Espinal, L.
Siderius, D. W.
Allen, A. J.
Scheins, S.
Matranga, C.
TI Improved synthesis and crystal structure of the flexible pillared layer
porous coordination polymer: Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)(4)]
SO CRYSTENGCOMM
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; SPIN-CROSSOVER; SURFACE-AREAS; NICKEL CYANIDE;
PORE-SIZE; ADSORPTION; NI; CONSTRUCTION; ASSEMBLIES; NETWORKS
AB This paper reports our synthesis of flexible coordination polymer, Ni(L)[ Ni(CN)(4)], (L = 1,2-bis(4-pyridyl)ethylene (nicknamed bpene)), and its structural characterization using synchrotron single crystal X-ray diffraction. The structure of the purplish crystals has been determined to be monoclinic, space group P2(1)/m, a = 13.5941(12) angstrom, b = 14.3621(12) angstrom, c = 14.2561(12) angstrom, beta = 96.141(2)degrees, V = 2767.4(4) angstrom(3), Z = 4, D-c = 1.46 g cm(-1). Ni(bpene)[ Ni(CN)(4)] assumes a pillared layer structure with layers defined by Ni[ Ni(CN)(4)](n) nets and bpene ligands acting as pillars. With the present crystallization technique which involves the use of concentrated ammonium hydroxide solution and dimethyl sulfoxide (DMSO), disordered free bpene ligands and solvents of crystallization (DMSO and water molecules) occupy the pores, resulting in a formula of Ni(bpene)[ Ni(CN)(4)]center dot 1/2 bpene center dot DMSO center dot 2H(2)O, or Ni2N7C24H25SO3. Without the inclusion of free bpene ligands and solvent molecules, the free volume is approximately 61% of the total volume; this free volume fraction is reduced to 50% with the free ligands present. Pores without the free ligands were found to have a local diameter of 5.7 angstrom and a main aperture of 3.5 angstrom. Based on the successful crystal synthesis, we also devised a new bulk synthetic technique which yielded a polycrystalline material with a significantly improved CO2 uptake as compared to the originally reported powder material. The improved synthetic technique yielded a polycrystalline material with 40% higher CO2 uptake compared to the previously reported powder material. An estimated 14.4 molecules of CO2 per unit cell was obtained.
C1 [Wong-Ng, W.; Espinal, L.; Siderius, D. W.; Allen, A. J.] NIST, Mat Measurement Lab, Gaithersburg, MD 20899 USA.
[Culp, J. T.; Matranga, C.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[Culp, J. T.] URS Corp, South Park, PA 15219 USA.
[Chen, Y. S.; Scheins, S.] Univ Chicago, ChemMatCARS, Argonne, IL 60439 USA.
[Zavalij, P.] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA.
RP Wong-Ng, W (reprint author), NIST, Mat Measurement Lab, Gaithersburg, MD 20899 USA.
RI Zavalij, Peter/H-3817-2012; Matranga, Christopher/E-4741-2015
OI Zavalij, Peter/0000-0001-5762-3469; Matranga,
Christopher/0000-0001-7082-5938
FU RES [DE-FE0004000]; National Science Foundation/Department of Energy
[NSF/CHE-0822838]; U. S. Department of Energy, Office of Science, Office
of Basic Energy Sciences [DE-AC02-06CH11357]
FX This technical effort was performed in support of the National Energy
Technology's ongoing research in CO2 capture under the RES
contract DE-FE0004000. The authors gratefully acknowledge ChemMatCARS
Sector 15 which is principally supported by the National Science
Foundation/Department of Energy under grant number NSF/CHE-0822838. Use
of the Advanced Photon Source was supported by the U. S. Department of
Energy, Office of Science, Office of Basic Energy Sciences, under
Contract No. DE-AC02-06CH11357.
NR 44
TC 7
Z9 7
U1 0
U2 29
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1466-8033
J9 CRYSTENGCOMM
JI Crystengcomm
PY 2013
VL 15
IS 23
BP 4684
EP 4693
DI 10.1039/c3ce00017f
PG 10
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA 148FF
UT WOS:000319227900014
ER
PT J
AU Sun, XQ
Luo, HM
Dai, S
AF Sun, Xiaoqi
Luo, Huimin
Dai, Sheng
TI Mechanistic investigation of solvent extraction based on
anion-functionalized ionic liquids for selective separation of
rare-earth ions
SO DALTON TRANSACTIONS
LA English
DT Article
ID NITRIC-ACID MEDIUM; CROWN-ETHERS; TEMPERATURE; AMERICIUM(III);
COORDINATION; GREENNESS; EXCHANGE; BEHAVIOR; DILUENT; MEDIA
AB In this study, solvation has been found to be a dominant mechanism in an ionic liquid (IL)-based extraction system for rare earth elements (REEs). Trioctylmethylammonium di(2-ethylhexyl)phosphate ([TOMA][DEHP]), an anion-functionalized IL extractant, was used in 1-alkyl-3-methylimidizolium bis[(trifluoromethylsulfonyl)]imide ([C(n)mim][NTf2], n = 4, 6, 8, 10) and 1-alkyl-3-methylimidizolium bis(perfluoroethane-sulfonyl)imide ([C(n)mim][BETI], n = 4, 6, 8, 10) for the separation of REEs. Surprisingly, a very similar extraction behavior was observed even as the carbon chain length on the IL cation increased from butyl (C4) to decyl (C10). This behavior is in sharp contrast to that exhibited by the conventional molecular extractants, whose extraction efficiencies are strongly dependent on the hydrophobicity of IL cations. Furthermore, the addition of IL cations ([C(n)mim](+)) in [C(n)mim]Cl form or IL anions ([NTf2](-) or [BETI](-)) in Li[NTf2] or Li[BETI] form to the aqueous phase had a minor effect on the extraction behavior of the above extraction system, ruling out the strong involvement of the ion-exchange mechanism associated with traditional IL-based extraction systems. Results showed that the extractabilities and selectivities of REEs using [TOMA][DEHP] in [C(10)mim][NTf2]/[BETI] are several orders of magnitude better than those achieved using a conventional organic solvent, diisopropylbenzene (DIPB). This study highlights the potential of developing a comprehensive IL-based extraction strategy for REEs separations via ionic extractants.
C1 [Sun, Xiaoqi; Dai, Sheng] Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA.
[Sun, Xiaoqi] Chinese Acad Sci, Inst Appl Chem, State Key Lab Rare Earth Resource Utilizat, Changchun 130022, Peoples R China.
[Luo, Huimin] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA.
[Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37916 USA.
RP Luo, HM (reprint author), Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA.
EM luoh@ornl.gov; dais@ornl.gov
RI Dai, Sheng/K-8411-2015
OI Dai, Sheng/0000-0002-8046-3931
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences, and Biosciences [DE-AC05-0096OR22725];
Oak Ridge National Laboratory; Oak Ridge Associated Universities (ORAU)
FX This research was supported by the U.S. Department of Energy, Office of
Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and
Biosciences under Contract DE-AC05-0096OR22725 with Oak Ridge National
Laboratory, managed by UT-Battelle, LLC. XQS acknowledge the Oak Ridge
Associated Universities (ORAU) for postdoctoral fellowships. The authors
would like to thank the referees for their useful comments.
NR 28
TC 22
Z9 22
U1 2
U2 101
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2013
VL 42
IS 23
BP 8270
EP 8275
DI 10.1039/c3dt50148e
PG 6
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 148YY
UT WOS:000319286300017
PM 23595558
ER
PT J
AU Shea-Rohwer, LE
Martin, JE
Cai, XC
Kelley, DF
AF Shea-Rohwer, Lauren E.
Martin, James E.
Cai, Xichen
Kelley, David F.
TI Red-Emitting Quantum Dots for Solid-State Lighting
SO ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY
LA English
DT Article
ID TEMPERATURE-DEPENDENT PHOTOLUMINESCENCE; BROAD-BAND EMISSION;
RECOMBINATION DYNAMICS; NANOCRYSTALS; DIODES; COLOR; CDSE; YIELD; CDTE
AB Red emitters that can be excited with blue InGaN LEDs are essential for warm white LEDs for solid-state lighting (SSL). Current red phosphors do not satisfy all of the criteria for SSL. Red-emitting CdTe-based quantum dot (QD) heterostructures meet several of these criteria, such as narrowband emission, broad blue absorption, high quantum yield (QY), and high luminous efficacy of radiation. This paper describes the synthesis of CdTe, CdTe/2CdSe, CdTe/2CdSe/CdS, and CdTe/2CdSe/CdS/5ZnS QDs and their photoluminescence. The growth of two CdSe shells on the CdTe core increases the QY to 95.5%. The shells reduce the thermal quenching above room temperature. CdTe cores that were aged for one year, exhibited thermal quenching of 73% at 100 degrees C, whereas the aged CdTe/2CdSe and CdTe/2CdSe/CdS QDs had thermal quenching of 39% and 38%, respectively at 100 degrees C. After cooling to room temperature, the QDs retained similar to 92% of their initial QYs. CdTe-based QDs have substantially less thermal quenching than CdSe/ZnSe QDs, which exhibit an 87% reduction in the QY and thermal degradation at 100 degrees C. Aging the various QDs for one year resulted in blue-shifts of the absorbance and PL emission by similar to 5-11 nm; broadening of the FWHM by similar to 0.7-4 nm; and an increase in the PL lifetimes. (C) 2012 The Electrochemical Society.
C1 [Shea-Rohwer, Lauren E.; Martin, James E.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Cai, Xichen; Kelley, David F.] Univ Calif Merced, Merced, CA 95343 USA.
RP Shea-Rohwer, LE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM leshea@sandia.gov
FU Sandia's Solid-State Lighting Science Energy Frontiers Research Center;
U.S. Department of Energy, Office of Basic Energy Sciences; U.S.
Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX This work was funded by Sandia's Solid-State Lighting Science Energy
Frontiers Research Center, funded by the U.S. Department of Energy,
Office of Basic Energy Sciences. 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 25
TC 10
Z9 10
U1 2
U2 25
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 2162-8769
J9 ECS J SOLID STATE SC
JI ECS J. Solid State Sci. Technol.
PY 2013
VL 2
IS 2
SI SI
BP R3112
EP R3118
DI 10.1149/2.015302jss
PG 7
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA 151IZ
UT WOS:000319455200015
ER
PT J
AU Zhang, CQ
Xia, Y
Chen, RQ
Huh, S
Johnston, PA
Kessler, MR
AF Zhang, Chaoqun
Xia, Ying
Chen, Ruqi
Huh, Seungmoo
Johnston, Patrick A.
Kessler, Michael R.
TI Soy-castor oil based polyols prepared using a solvent-free and
catalyst-free method and polyurethanes therefrom
SO GREEN CHEMISTRY
LA English
DT Article
ID VEGETABLE-OILS; SOYBEAN OIL; PHYSICAL-PROPERTIES; CYCLOHEXENE OXIDE;
CANOLA OIL; PALM OIL; OLIGOMERIZATION; POLYMERIZATION; MECHANISM;
NETWORKS
AB Bio-based polyols from epoxidized soybean oil and castor oil fatty acid were developed using an environmentally friendly, solvent-free/catalyst-free method. The effects of the molar ratios of the carboxyl to the epoxy groups, reaction time, and reaction temperature on the polyols' structures were systematically studied. Subsequently, polyurethane films were prepared from these green polyols. Properties of the new, soy-castor oil based polyurethane films were compared with two other polyurethane films prepared from castor oil and methoxylated soybean oil polyol, respectively. Thermal and mechanical tests showed that the polyurethane films prepared from the new polyols exhibited higher glass transition temperatures, tensile strength, Young's modulus, and thermal stability because of the higher degree of cross-linking in the new polyols. Moreover, the novel polyols, prepared using the solvent-free and catalyst-free synthetic route, were 100% bio-based and facilitate a more environmentally friendly and economical process than conventional soy-based polyols used for polyurethane production.
C1 [Zhang, Chaoqun; Xia, Ying; Chen, Ruqi; Kessler, Michael R.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
[Huh, Seungmoo] Kumho Petrochem R&BD Ctr, Taejon, South Korea.
[Johnston, Patrick A.] Iowa State Univ, Ctr Sustainable Environm Technol, Ames, IA USA.
[Kessler, Michael R.] Iowa State Univ, Dept Mech Engn, Ames, IA USA.
[Kessler, Michael R.] US DOE, Ames Lab, Ames, IA 50011 USA.
RP Zhang, CQ (reprint author), Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
EM mkessler@iastate.edu
RI Kessler, Michael/C-3153-2008; Xia, Ying/G-9533-2012
OI Kessler, Michael/0000-0001-8436-3447;
FU Kumho Petrochemical Co.
FX This work was sponsored by Kumho Petrochemical Co.
NR 29
TC 52
Z9 54
U1 9
U2 79
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9262
J9 GREEN CHEM
JI Green Chem.
PY 2013
VL 15
IS 6
BP 1477
EP 1484
DI 10.1039/c3gc40531a
PG 8
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA 150QM
UT WOS:000319405900005
ER
PT J
AU Li, Z
Sun, YG
AF Li, Zheng
Sun, Yugang
TI Silver chlorobromide nanoparticles with highly pure phases: synthesis
and characterization
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID VISIBLE-LIGHT; PHOTOCATALYTIC DEGRADATION; AQUEOUS SUSPENSION; WATER
OXIDATION; METHYLENE-BLUE; GOLD NANORODS; AGCL; SURFACE; ABSORPTION;
MICROSCOPY
AB Ternary silver chlorobromide (AgClxBr1-x) nanoparticles with finely tuned compositions have been successfully synthesized through a co-precipitation approach in which silver nitrate reacts with hexadecyltrimethylammonium chloride (CTAC) and hexadecyltrimethylammonium bromide (CTAB) in aqueous solutions at room temperature. The synthesized AgClxBr1-x nanoparticles exhibit highly pure crystalline phases with face-centred cubic symmetries and compositional purity without contamination of optically active silver clusters and silver nanodomains. Such high purity enables the determination of indirect bandgap energies of the AgClxBr1-x nanoparticles for the first time. Tuning the composition from chloride-to bromide-rich leads to a decrease in size and the indirect bandgap of the nanoparticles. In addition, preliminary evaluations indicate that the ternary AgClxBr1-x nanoparticles are better in the photocatalytic decomposition of methylene blue molecules with visible light in comparison with the counterpart binary AgCl and AgBr nanoparticles.
C1 [Li, Zheng; Sun, Yugang] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
RP Li, Z (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM ygsun@anl.gov
RI Sun, Yugang /A-3683-2010; Li, Zheng/L-1355-2016
OI Sun, Yugang /0000-0001-6351-6977; Li, Zheng/0000-0001-5281-8101
FU Center for Nanoscale Materials, a US Department of Energy, Office of
Science, Office of Basic Energy Sciences User Facility
[DE-AC02-06CH11357]; Electron Microscopy Center at Argonne National
Laboratory, a US Department of Energy Office of Science Laboratory by
UChicago Argonne, LLC. [DE-AC02-06CH11357]
FX This work was performed at the Center for Nanoscale Materials, a US
Department of Energy, Office of Science, Office of Basic Energy Sciences
User Facility under Contract no. DE-AC02-06CH11357. The electron
microscopy and EDX was partially accomplished at the Electron Microscopy
Center at Argonne National Laboratory, a US Department of Energy Office
of Science Laboratory operated under Contract no. DE-AC02-06CH11357 by
UChicago Argonne, LLC. The authors gratefully appreciate helpful
discussions with Dr Ian McNulty and Dr Yang Ren.
NR 51
TC 4
Z9 4
U1 0
U2 30
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 23
BP 6786
EP 6793
DI 10.1039/c3ta00020f
PG 8
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 148UJ
UT WOS:000319272800012
ER
PT J
AU Cai, L
Liu, ZC
An, K
Liang, CD
AF Cai, Lu
Liu, Zengcai
An, Ke
Liang, Chengdu
TI Unraveling structural evolution of LiNi0.5Mn1.5O4 by in situ neutron
diffraction
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID LITHIUM-ION BATTERY; ELECTROCHEMICAL PROPERTIES; CRYSTAL-STRUCTURE;
SPINEL; ELECTRODE; CATHODE; OXYGEN; PERFORMANCE; TRANSITION; P4(3)32
AB The electrochemical properties of the spinel LiNi0.5Mn1.5O4 cathode material are influenced by the synthesis processes, which determines the impurity phase and the distribution of Ni and Mn in the spinel structure. Taking advantage of neutron's high sensitivity to Ni and Mn, in situ neutron diffraction has been employed to quantify the phase formation/structural evolution process under continuous heating/cooling and isothermal annealing conditions. The results show that the subtle Ni and Mn ordering process occurs slowly at 700 degrees C and the degree of ordering can be controlled by the annealing time. At temperatures above 750 degrees C, the LiNi0.5Mn1.5O4 spinel phase starts to decompose into the rock-salt impurity phase accompanied by the release of O-2. The rock-salt phase reverts back to the spinel phase upon cooling along with the oxygen uptake. The dynamic process of structural evolution of LiNi0.5Mn1.5O4 that was unraveled by in situ neutron diffraction is valuable for guiding the synthesis of cathode materials with desirable properties.
C1 [Cai, Lu; An, Ke] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN USA.
[Liu, Zengcai; Liang, Chengdu] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Cai, L (reprint author), Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN USA.
EM kean@ornl.gov
RI An, Ke/G-5226-2011
OI An, Ke/0000-0002-6093-429X
FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and
Engineering Division; Scientific User Facilities Division, Office of
Basic Energy Sciences, U.S. Department of Energy
FX This research is supported by the U.S. Department of Energy, Basic
Energy Sciences, Materials Sciences and Engineering Division and
performed at Spallation Neutron Source and Center for Nanophase
Materials Sciences, DOE user facilities at Oak Ridge National
Laboratory, which are sponsored by the Scientific User Facilities
Division, Office of Basic Energy Sciences, U.S. Department of Energy. LC
and KA thank Ms R. Mills and Mr H. Skorpenske from SNS for their
technical support for the neutron experiments.
NR 32
TC 18
Z9 18
U1 4
U2 57
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 23
BP 6908
EP 6914
DI 10.1039/c3ta00145h
PG 7
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 148UJ
UT WOS:000319272800027
ER
PT J
AU Ryan, KR
Trahey, L
Okasinski, JS
Burrell, AK
Ingram, BJ
AF Ryan, Kate R.
Trahey, Lynn
Okasinski, John S.
Burrell, Anthony K.
Ingram, Brian J.
TI In situ synchrotron X-ray diffraction studies of lithium oxygen
batteries
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID LI-AIR BATTERIES; LI-O-2 BATTERIES; ION BATTERIES; ETHER; ELECTROLYTES;
SOLVENTS; XRD; ELECTROCHEMISTRY; STABILITY; EVOLUTION
AB Lithium oxygen batteries were studied in situ by synchrotron X-ray diffraction. Crystalline Li2O2 was shown to form reversibly on a plain carbon cathode under normal cycling conditions. However, if the cell was polarized to induce electrolyte decomposition before the oxygen reduction reaction was initiated, LiOH was found to cycle reversibly on the cathode instead. A mechanism linking the LiOH production to the electrolyte decomposition was proposed.
C1 [Ryan, Kate R.; Trahey, Lynn; Burrell, Anthony K.; Ingram, Brian J.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Okasinski, John S.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
RP Ryan, KR (reprint author), Univ Oxford, Dept Chem, Oxford OX1 2JD, England.
EM ingram@anl.gov
FU U.S. Department of Energy; U.S. DOE [DE-AC02-06CH11357]
FX The authors are particularly indebted to Dr Yan Ren sector 11 of the APS
for the loan of the in situ coin cell chamber. Financial support from
the U.S. Department of Energy is gratefully acknowledged. Use of the
Advanced Photon Source, an Office of Science User Facility operated for
the U.S. Department of Energy (DOE) Office of Science by Argonne
National Laboratory, was supported by the U.S. DOE under Contract no.
DE-AC02-06CH11357. The submitted manuscript has been created by UChicago
Argonne, LLC, Operator of Argonne National Laboratory ("Argonne").
Argonne, a U.S. Department of Energy Office of Science laboratory, is
operated under Contract no. DE-AC02-06CH11357. The U.S. Government
retains for itself, and others acting on its behalf, a paid-up,
nonexclusive, irrevocable worldwide license in said article to
reproduce, prepare derivative works, distribute copies to the public,
and perform publicly and display publicly, by or on behalf of the
Government. Argonne National Laboratory assisted in meeting the
publication costs of this article.
NR 26
TC 14
Z9 15
U1 5
U2 89
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 23
BP 6915
EP 6919
DI 10.1039/c3ta10361g
PG 5
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 148UJ
UT WOS:000319272800028
ER
PT J
AU Seredych, M
Idrobo, JC
Bandosz, TJ
AF Seredych, Mykola
Idrobo, Juan-Carlos
Bandosz, Teresa J.
TI Effect of confined space reduction of graphite oxide followed by sulfur
doping on oxygen reduction reaction in neutral electrolyte
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID DENSITY-FUNCTIONAL THEORY; METAL-FREE ELECTROCATALYST;
CATALYTIC-ACTIVITY; ACTIVATED CARBONS; DOPED GRAPHENE; SOLAR-ENERGY;
NITROGEN; ADSORPTION; PYROLYSIS; OXIDATION
AB Graphite oxide was thermally reduced within the confined space of commercial silica gel, and then the matrix was removed. The modified graphite oxide was treated with hydrogen sulfide at 800 degrees C. The treatment applied results in a specific porous texture and high hydrophobicity of the surface. 3 at.% sulfur was introduced, mainly as thiophenic groups and sulfur in aromatic rings. The reduced GO and sulfur doped was evaluated as oxygen reduction catalysts in neutral electrolytes. Even though both materials show the strong catalytic activity, the results indicate that more electrons take part in oxygen reduction reaction on reduced GO than on its sulfur modified counterpart. The high activity of our materials is linked to oxygen and surface functional groups incorporated to the graphene structure, to the high degree of surface hydrophobicity and to the specific texture consisting of micro and mesopores (replicate of silica porosity).
C1 [Seredych, Mykola; Bandosz, Teresa J.] CUNY City Coll, Dept Chem, CUNY Energy Inst, New York, NY 10031 USA.
[Idrobo, Juan-Carlos] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RP Seredych, M (reprint author), CUNY City Coll, Dept Chem, CUNY Energy Inst, 160 Convent Ave, New York, NY 10031 USA.
EM tbandosz@ccny.cuny.edu
RI Idrobo, Juan/H-4896-2015
OI Idrobo, Juan/0000-0001-7483-9034
FU Oak Ridge National Laboratory' ShaRE User Facility; Scientific User
Facility Division, Office of Basic Energy Sciences, U.S. Department of
Energy
FX The authors are grateful to Mr Jeffrey Shallenberger of Evans Analytical
Group for his involvement in XPS analysis. This research was supported
in part by Oak Ridge National Laboratory' ShaRE User Facility, which is
sponsored by the Scientific User Facility Division, Office of Basic
Energy Sciences, U.S. Department of Energy.
NR 54
TC 28
Z9 28
U1 2
U2 52
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2013
VL 1
IS 24
BP 7059
EP 7067
DI 10.1039/c3ta10995j
PG 9
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA 152IS
UT WOS:000319525900012
ER
PT J
AU Haines, BM
Grinstein, FF
Schwarzkopf, JD
AF Haines, Brian M.
Grinstein, Fernando F.
Schwarzkopf, John D.
TI Reynolds-averaged Navier-Stokes initialization and benchmarking in
shock-driven turbulent mixing
SO JOURNAL OF TURBULENCE
LA English
DT Article
DE large eddy simulation; Reynolds-averaged Navier-Stokes; turbulence
modeling: Reynolds averaged; turbulent mixing; compressible turbulence
ID RICHTMYER-MESHKOV INSTABILITY; LARGE-EDDY SIMULATION; TAYLOR-GREEN
VORTEX; FLOWS; CLOSURE
AB We investigate a strategy for benchmarking Reynolds-averaged Navier-Stokes (RANS) models by comparing moments extracted from averaged large eddy simulation (LES) data and those predicted directly by RANS. We consider the Besnard-Harlow-Rauenzahn (BHR) RANS approach designed for variable-density compressible flows, which has been previously applied to a wide variety of turbulence problems of interest. We focus on the model's ability to predict moments relevant to shock-driven material mixing. A prototypical inverse chevron shock tube configuration is considered, for which laboratory and previous LES studies are available for comparison and validation. We show that when appropriately initialized, BHR is capable of accurately capturing various characteristic integral measures of the flow; strategies for initialization are demonstrated while addressing sensitivity of BHR predictions to closure and initialization specifics, initial material interface conditions, and grid resolution. The reference simulations are performed using implicit LES based on the Los Alamos National Laboratory RAGE hydrodynamics code.
C1 [Haines, Brian M.; Grinstein, Fernando F.; Schwarzkopf, John D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Grinstein, FF (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM fgrinstein@lanl.gov
OI Haines, Brian/0000-0002-3889-7074
FU U.S. Department of Energy, NNSA [DE-AC52-06NA25396]
FX Los Alamos National Laboratory is operated by the Los Alamos National
Security, LLC for the U.S. Department of Energy, NNSA under Contract No.
DE-AC52-06NA25396.
NR 43
TC 9
Z9 9
U1 1
U2 11
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 1468-5248
J9 J TURBUL
JI J. Turbul.
PY 2013
VL 14
IS 2
BP 46
EP 70
DI 10.1080/14685248.2013.779380
PG 25
WC Mechanics; Physics, Fluids & Plasmas
SC Mechanics; Physics
GA 152WZ
UT WOS:000319563800004
ER
PT J
AU Rubinstein, R
Clark, TT
AF Rubinstein, Robert
Clark, Timothy T.
TI Reassessment of the classical closures for scalar turbulence
SO JOURNAL OF TURBULENCE
LA English
DT Article
DE isotropic turbulence; homogeneous turbulence; passive scalar turbulence;
solvable or simplified models; turbulent mixing
ID QUANTITIES LIKE TEMPERATURE; ISOTROPIC TURBULENCE; DIFFUSION
APPROXIMATION; ENERGY-TRANSFER; MODEL; FLUID; CONDUCTIVITY; DYNAMICS;
FIELDS
AB In deducing the consequences of the Direct Interaction Approximation, Kraichnan was sometimes led to consider the properties of special classes of nonlinear interactions in degenerate triads in which one wavevector is very small. Such interactions can be described by simplified models closely related to elementary closures for homogeneous isotropic turbulence such as the Heisenberg and Leith models. These connections can be exploited to derive considerably improved versions of the Heisenberg and Leith models that are only slightly more complicated analytically. This paper applies this approach to derive some new simplified closure models for passive scalar advection and investigates the consistency of these models with fundamental properties of scalar turbulence. Whereas some properties, such as the existence of the Kolmogorov-Obukhov range and the existence of thermal equilibrium ensembles, follow the velocity case closely, phenomena special to the scalar case arise when the diffusive and viscous effects become important at different scales of motion. These include the Batchelor and Batchelor-Howells-Townsend ranges pertaining, respectively, to high and low molecular Schmidt number. We also consider the spectrum in the diffusive range that follows the Batchelor range. We conclude that improved elementary models can be made consistent with many nontrivial properties of scalar turbulence, but that such models have unavoidable limitations.
C1 [Rubinstein, Robert] NASA, Langley Res Ctr, Computat AeroSci Branch, Hampton, VA 23665 USA.
[Clark, Timothy T.] Los Alamos Natl Lab, X Div Grp XCP 2, Los Alamos, NM USA.
RP Clark, TT (reprint author), Los Alamos Natl Lab, X Div Grp XCP 2, Los Alamos, NM USA.
EM ttc@lanl.gov
NR 22
TC 2
Z9 2
U1 1
U2 1
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 1468-5248
J9 J TURBUL
JI J. Turbul.
PY 2013
VL 14
IS 2
BP 71
EP 98
DI 10.1080/14685248.2013.769685
PG 28
WC Mechanics; Physics, Fluids & Plasmas
SC Mechanics; Physics
GA 152WZ
UT WOS:000319563800005
ER
PT J
AU Niklas, J
Mardis, KL
Banks, BP
Grooms, GM
Sperlich, A
Dyakonov, V
Beaupre, S
Leclerc, M
Xu, T
Yu, LP
Poluektov, OG
AF Niklas, Jens
Mardis, Kristy L.
Banks, Brian P.
Grooms, Gregory M.
Sperlich, Andreas
Dyakonov, Vladimir
Beaupre, Serge
Leclerc, Mario
Xu, Tao
Yu, Luping
Poluektov, Oleg G.
TI Highly-efficient charge separation and polaron delocalization in
polymer-fullerene bulk-heterojunctions: a comparative multi-frequency
EPR and DFT study
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID PERFORMANCE SOLAR-CELLS; ZETA VALENCE QUALITY; GAUSSIAN-BASIS SETS;
PHOTOVOLTAIC APPLICATIONS; CONDUCTING POLYMERS; ATOMS LI; DENSITY;
ENERGY; POLY(3-HEXYLTHIOPHENE); POLY(3-ALKYLTHIOPHENES)
AB The ongoing depletion of fossil fuels has led to an intensive search for additional renewable energy sources. Solar-based technologies could provide sufficient energy to satisfy the global economic demands in the near future. Photovoltaic (PV) cells are the most promising man-made devices for direct solar energy utilization. Understanding the charge separation and charge transport in PV materials at a molecular level is crucial for improving the efficiency of the solar cells. Here, we use light-induced EPR spectroscopy combined with DFT calculations to study the electronic structure of charge separated states in blends of polymers (P3HT, PCDTBT, and PTB7) and fullerene derivatives (C-60-PCBM and C-70-PCBM). Solar cells made with the same composites as active layers show power conversion efficiencies of 3.3% (P3HT), 6.1% (PCDTBT), and 7.3% (PTB7), respectively. Upon illumination of these composites, two paramagnetic species are formed due to photo-induced electron transfer between the conjugated polymer and the fullerene. They are the positive, P+, and negative, P-, polarons on the polymer backbone and fullerene cage, respectively, and correspond to radical cations and radical anions. Using the high spectral resolution of high-frequency EPR (130 GHz), the EPR spectra of these species were resolved and principal components of the g-tensors were assigned. Light-induced pulsed ENDOR spectroscopy allowed the determination of H-1 hyperfine coupling constants of photogenerated positive and negative polarons. The experimental results obtained for the different polymer-fullerene composites have been compared with DFT calculations, revealing that in all three systems the positive polaron is distributed over distances of 40-60 angstrom on the polymer chain. This corresponds to about 15 thiophene units for P3HT, approximately three units for PCDTBT, and about three to four units for PTB7. No spin density delocalization between neighboring fullerene molecules was detected by EPR. Strong delocalization of the positive polaron on the polymer donor is an important reason for the efficient charge separation in bulk heterojunction systems as it minimizes the wasteful process of charge recombination. The combination of advanced EPR spectroscopy and DFT is a powerful approach for investigation of light-induced charge dynamics in organic photovoltaic materials.
C1 [Niklas, Jens; Poluektov, Oleg G.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Mardis, Kristy L.; Banks, Brian P.; Grooms, Gregory M.] Chicago State Univ, Dept Chem & Phys, Chicago, IL 60628 USA.
[Sperlich, Andreas; Dyakonov, Vladimir] Univ Wurzburg, D-97074 Wurzburg, Germany.
[Sperlich, Andreas; Dyakonov, Vladimir] Bavarian Ctr Appl Energy Res, D-97074 Wurzburg, Germany.
[Beaupre, Serge; Leclerc, Mario] Univ Laval, Dept Chem, Quebec City, PQ G1V 0A6, Canada.
[Xu, Tao; Yu, Luping] Univ Chicago, Dept Chem, Chicago, IL 60637 USA.
[Xu, Tao; Yu, Luping] Univ Chicago, James Franck Inst, Chicago, IL 60637 USA.
RP Poluektov, OG (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM Oleg@anl.gov
RI Dyakonov, Vladimir/F-6862-2013; Niklas, Jens/I-8598-2016;
OI Dyakonov, Vladimir/0000-0001-8725-9573; Niklas,
Jens/0000-0002-6462-2680; Sperlich, Andreas/0000-0002-0850-6757; Mardis,
Kristy/0000-0003-2633-9304
FU Argonne-Northwestern Solar Energy Research (ANSER) Center, an Energy
Frontier Research Center; U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences [DE-SC0001059]; DFG SPP "Elementary
processes in organic photovoltaics" [DY18/6-1]; ANSER; Department of
Defense Army Research Lab [W911NF-0820039]; National Institutes of
Health [1SC2GM083717]; National Science Foundation IL-LSAMP
[HRD-0413000]; GMG by the NIH/NIGMS [R25 GM059218]; Natural Sciences and
Engineering Research Council (NSERC) of Canada
FX This material is based upon work supported as part of the
Argonne-Northwestern Solar Energy Research (ANSER) Center, an Energy
Frontier Research Center funded by the U.S. Department of Energy, Office
of Science, Office of Basic Energy Sciences under Award Number
DE-SC0001059 (JN, LU, and OGP) and by the DFG SPP "Elementary processes
in organic photovoltaics", under contract DY18/6-1 (AS and VD). VD
acknowledges financial support from ANSER during his research visit at
ANL in 2012. KLM was supported by the Department of Defense Army
Research Lab (W911NF-0820039) and the National Institutes of Health
(Grant 1SC2GM083717). BPB was supported by the National Science
Foundation IL-LSAMP (Grant HRD-0413000) and GMG by the NIH/NIGMS (R25
GM059218). We thank Alexander Fortig and Carsten Deibel (both U of
Wurzburg) for solar cell fabrication and evaluation as well as for
fruitful discussions. The synthesis of PCDTBT (M.L. and S.B.) was
supported by the Natural Sciences and Engineering Research Council
(NSERC) of Canada.
NR 57
TC 56
Z9 56
U1 15
U2 216
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 24
BP 9562
EP 9574
DI 10.1039/c3cp51477c
PG 13
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 153BP
UT WOS:000319576500014
PM 23670645
ER
PT J
AU Harmon, CW
Ruehl, CR
Cappa, CD
Wilson, KR
AF Harmon, Christopher W.
Ruehl, Christopher R.
Cappa, Christopher D.
Wilson, Kevin R.
TI A statistical description of the evolution of cloud condensation nuclei
activity during the heterogeneous oxidation of squalane and
bis(2-ethylhexyl) sebacate aerosol by hydroxyl radicals
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID SECONDARY ORGANIC AEROSOL; SINGLE-PARAMETER REPRESENTATION; HYGROSCOPIC
GROWTH; SURFACE-TENSION; CHEMICAL-COMPOSITION; INORGANIC PARTICLES;
MASS-SPECTROMETER; ACTIVATION; PRODUCTS; CCN
AB The heterogeneous reaction of hydroxyl radicals with chemically reduced organic aerosol comprised of either squalane or bis(2-ethylhexyl) sebacate are used as model systems to examine how cloud condensation nuclei (CCN) activity evolves with photochemical oxidation. Over the course of the reaction, the critical super-saturation evolves both by the formation of new oxygen functional groups and by changes in aerosol size through the formation of gas phase reaction products. A statistical model of the heterogeneous reaction reveals that it is the formation, volatilization, solubility, and surface activity of many generations of oxidation products that together control the average changes in aerosol hygroscopicity. The experimental observations and model demonstrate the importance of considering the underlying population or subpopulation of species within a particle and how they each uniquely contribute to the average hygroscopicity of a multi-component aerosol. To accurately predict changes in CCN activity upon oxidation requires a reduction in the surface tension of the activating droplet by a subpopulation of squalane reaction products. These results provide additional evidence that surface tension-concentration parameterizations based on macroscopic data should be modified for microscopic droplets.
C1 [Harmon, Christopher W.; Ruehl, Christopher R.; Wilson, Kevin R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Cappa, Christopher D.] Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA.
RP Wilson, KR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
EM krwilson@lbl.gov
FU Office of Energy Research, Office of Basic Energy Sciences, Chemical
Sciences Division of the U.S. Department of Energy [DE-AC02-05CH11231];
Department of Energy, Office of Science Early Career Research Program;
National Science Foundation [ATM-0837913]
FX This work is supported by the Director, Office of Energy Research,
Office of Basic Energy Sciences, Chemical Sciences Division of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231. C.R.R. and
K.R.W are supported by the Department of Energy, Office of Science Early
Career Research Program. CDC was also supported by the National Science
Foundation (ATM-0837913).
NR 60
TC 10
Z9 10
U1 1
U2 34
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 24
BP 9679
EP 9693
DI 10.1039/c3cp50347j
PG 15
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 153BP
UT WOS:000319576500028
PM 23670352
ER
PT J
AU Duan, YH
AF Duan, Yuhua
TI Structural and electronic properties of Li8ZrO6 and its CO2 capture
capabilities: an ab initio thermodynamic approach
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID CARBON-DIOXIDE SORPTION; LITHIUM ZIRCONATE; SOLID SORBENTS; TEMPERATURE;
LI6ZR2O7; DIFFRACTION; ABSORPTION; SEPARATION; DYNAMICS; LI2ZRO3
AB The structural, electronic, and phonon properties of Li8ZrO6 are investigated with the application of density functional theory and lattice phonon dynamics. Based on the calculated data, the thermodynamics of CO2 absorption-desorption for Li8ZrO6 is analyzed and compared with those of Li2ZrO3 and Li6Zr2O7. The band gap of Li8ZrO6 is indirect along Gamma-L with a value of 4.74 eV. From the calculated thermodynamic properties of Li8ZrO6 reacting with CO2, we found that Li8ZrO6 could be regenerated at high temperatures (>1100 K). Our results indicated that the lithium zirconate with a lower Li2O/ZrO2 ratio has a lower turnover temperature. Hence, by mixing or doping two or more materials to form a new material, it is possible to find or synthesize CO2 sorbents that can fit the industrial needs for optimal performance. Although the CO2 capture capacity of Li8ZrO6 is much higher than that of Li2ZrO3, the high energy required for regeneration, the capacity loss during long absorption-desorption cycles, solid sintering at high temperature, and the material cost may affect its overall capture performance. Our results also provided some general guidelines for designing new CO2 sorbents.
C1 US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
RP Duan, YH (reprint author), US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
EM yuhua.duan@netl.doe.gov
RI Duan, Yuhua/D-6072-2011
OI Duan, Yuhua/0000-0001-7447-0142
NR 52
TC 16
Z9 16
U1 2
U2 38
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 24
BP 9752
EP 9760
DI 10.1039/c3cp51101d
PG 9
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 153BP
UT WOS:000319576500036
PM 23674075
ER
PT J
AU Delegard, CH
AF Delegard, C. H.
TI Effects of aging on PuO2 center dot xH(2)O particle size in alkaline
solution
SO RADIOCHIMICA ACTA
LA English
DT Article
DE Hydrated plutonium oxide; Plutonium oxide; Particle size; Solubility;
Hanford high-level waste; Aging
ID PLUTONIUM DIOXIDE; SOLUBILITY
AB Between 1944 and 1989, 54.5 metric tons of the United States' weapons-grade plutonium and an additional 12.9 metric tons of fuels-grade plutonium were produced in and separated from irradiated uranium metal fuel at the Hanford Site. Acidic high-activity wastes containing around 600 kg of plutonium were made alkaline and discharged to underground storage tanks from separations, isolation, and recycle processes to yield average plutonium concentration of about 0.003 g/L (or similar to 0.0002 wt. %) in the similar to 200 million liter tank waste volume. The plutonium is largely associated with low-solubility metal hydroxide/oxide sludges where its low concentration and intimate mixture with neutron-absorbing elements (e.g., iron) are credited in nuclear criticality safety. However, concerns have been expressed that plutonium, in the form of hydrated plutonium oxide, PuO2 center dot xH(2)O, could undergo sufficient crystal growth through dissolution and re-precipitation in the alkaline tank waste to potentially become separable from neutron absorbing constituents by settling or sedimentation. Thermodynamic considerations and laboratory studies of systems chemically analogous to tank waste show that the plutonium, precipitated in the alkaline tank waste by neutralization from acid solution, probably entered as 2-5-nm PuO2 center dot xH(2)O crystallite particles that, because of the low concentration of the neutral Pu(IV) dissolved species and opposition from radiolytic processes, grow from that point at exceedingly slow rates.
C1 Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Delegard, CH (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA.
EM calvin.delegard@pnnl.gov
OI Delegard, Calvin/0000-0001-6503-9502
NR 30
TC 5
Z9 5
U1 0
U2 12
PU OLDENBOURG VERLAG
PI MUNICH
PA LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY
SN 0033-8230
J9 RADIOCHIM ACTA
JI Radiochim. Acta
PY 2013
VL 101
IS 5
BP 313
EP 322
DI 10.1524/ract.2013.2034
PG 10
WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology
SC Chemistry; Nuclear Science & Technology
GA 154ZS
UT WOS:000319715800006
ER
PT J
AU Fassbender, ME
Ballard, B
Birnbaum, ER
Engle, JW
John, KD
Maassen, JR
Nortier, FM
Lenz, JW
Cutler, CS
Ketring, AR
Jurisson, SS
Wilbur, DS
AF Fassbender, M. E.
Ballard, B.
Birnbaum, E. R.
Engle, J. W.
John, K. D.
Maassen, J. R.
Nortier, F. M.
Lenz, J. W.
Cutler, C. S.
Ketring, A. R.
Jurisson, S. S.
Wilbur, D. S.
TI Proton irradiation parameters and chemical separation procedure for the
bulk production of high-specific-activity Re-186g using WO3 targets
SO RADIOCHIMICA ACTA
LA English
DT Article
DE Rhenium-186; WO3 target; Proton induced reaction; High specific activity
ID CARRIER-ADDED RE-186; EXCITATION-FUNCTIONS; NUCLEAR-REACTIONS; NATURAL
TUNGSTEN; CYCLOTRON; RELEVANT; YIELDS
AB Rhenium-186g (T-1/2 = 89.2 h) is a beta(-) emitter suitable for therapeutic applications. Current production methods rely on reactor production via Re-185 (n, gamma) which results in low specific activities, thereby limiting its use. Production by p, d activation of enriched W-186 results in a Re-186g product with a higher specific activity, allowing it to be used for targeted therapy with limited receptors. A test target consisting of pressed, sintered (WO3)-W-nat was proton irradiated at Los Alamos (LANL-IPF) to evaluate product yield and impurities, irradiation parameters and wet chemical Re recovery for proof-of-concept for bulk production of Re-186g. We demonstrated isolation of Re-186g in 97% yield from irradiated (WO3)-W-nat targets within 12 h of end of bombardment (BOB) via an alkaline dissolution followed by anion exchange. The recovery process has potential for automation, and WO3 can be easily recycled for recurrent irradiations. A Re-186g batch yield of 42.7 +/- 2.2 mu Ci/mu Ah or 439 +/- 23 MBq/C was obtained after 24 h in an 18.5 mu A proton beam. The target entrance energy was determined to be 15.6 MeV. The specific activity of Re-186g at BOB was measured to be 1.9 kCi (70.3 TBq) mmol(-1), which agrees well with the result of a previous Re-185,Re-186m coproduction EMPIRE and TALYS modeling study assuming similar conditions. Utilizing enriched (WO3)-W-186, we anticipate that a proton beam of 250 mu A for 24 h will provide batch yields of 256 mCi (9.5 GBq) of Re-186g at BOB with specific activities even higher than 1.9 kCi (70.3 TBq)mmol(-1), suitable for therapy applications.
C1 [Fassbender, M. E.; Ballard, B.; Birnbaum, E. R.; Engle, J. W.; John, K. D.; Maassen, J. R.; Nortier, F. M.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA.
[Lenz, J. W.] John Lenz & Associates, E Lansing, MI 48823 USA.
[Cutler, C. S.; Ketring, A. R.] Univ Missouri, Res Reactor Ctr, Columbia, MO 65211 USA.
[Jurisson, S. S.] Univ Missouri, Dept Chem, Columbia, MO 65211 USA.
[Wilbur, D. S.] Univ Washington, Radiochem Div, Seattle, WA 98105 USA.
RP Fassbender, ME (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA.
EM mifa@lanl.gov
RI Engle, Jonathan/D-7734-2012; Ballard, Beau/E-2925-2017
OI Ballard, Beau/0000-0003-1206-9358
FU United States Department of Energy, Office of Science via the Isotope
Development and Production for Research and Applications subprogram in
the Office of Nuclear Physics [DE-FOA-0000048]
FX The authors would like to acknowledge the efforts of the LANL Isotope
Production Facility and Hot Cell Facility personnel for their support in
conducting target irradiations, target transportation, and for their
general operational support. The study described in this paper was
funded by the United States Department of Energy, Office of Science via
an award from the Isotope Development and Production for Research and
Applications subprogram in the Office of Nuclear Physics (Funding
opportunity DE-FOA-0000048).
NR 24
TC 15
Z9 15
U1 4
U2 15
PU OLDENBOURG VERLAG
PI MUNICH
PA LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY
SN 0033-8230
J9 RADIOCHIM ACTA
JI Radiochim. Acta
PY 2013
VL 101
IS 5
BP 339
EP 346
DI 10.1524/ract.2013.2031
PG 8
WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology
SC Chemistry; Nuclear Science & Technology
GA 154ZS
UT WOS:000319715800009
ER
PT J
AU Simpson, MF
AF Simpson, Michael F.
TI Projected Salt Waste Production from a Commercial Pyroprocessing
Facility
SO SCIENCE AND TECHNOLOGY OF NUCLEAR INSTALLATIONS
LA English
DT Article
ID LIQUID CADMIUM CATHODE; MOLTEN-SALT; SPENT FUEL; ELECTROMETALLURGICAL
TREATMENT; FORM; ACTINIDES; PRECIPITATION; REDUCTION; CHLORIDES;
ELEMENTS
AB Pyroprocessing of used nuclear fuel inevitably produces salt waste from electrorefining and/or oxide reduction unit operations. Various process design characteristics can affect the actual mass of such waste produced. This paper examines both oxide and metal fuel treatment, estimates the amount of salt waste generated, and assesses potential benefit of process options to mitigate the generation of salt waste. For reference purposes, a facility is considered in which 100 MT/year of fuel is processed. Salt waste estimates range from 8 to 20 MT/year from considering numerous scenarios. It appears that some benefit may be derived from advanced processes for separating fission products from molten salt waste, but the degree of improvement is limited. Waste form production is also considered but appears to be economically unfavorable. Direct disposal of salt into a salt basin type repository is found to be the most promising with respect to minimizing the impact of waste generation on the economic feasibility and sustainability of pyroprocessing.
C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Simpson, MF (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA.
EM michael.simpson@inl.gov
NR 17
TC 4
Z9 4
U1 1
U2 7
PU HINDAWI PUBLISHING CORPORATION
PI NEW YORK
PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA
SN 1687-6075
J9 SCI TECHNOL NUCL INS
JI Sci. Technol. Nucl. Install.
PY 2013
AR 945858
DI 10.1155/2013/945858
PG 8
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA 153IZ
UT WOS:000319596400001
ER
PT J
AU Connors, JM
Banks, JW
Hittinger, JA
Woodward, CS
AF Connors, Jeffrey M.
Banks, Jeffrey W.
Hittinger, Jeffrey A.
Woodward, Carol S.
TI A METHOD TO CALCULATE NUMERICAL ERRORS USING ADJOINT ERROR ESTIMATION
FOR LINEAR ADVECTION
SO SIAM JOURNAL ON NUMERICAL ANALYSIS
LA English
DT Article
DE a posteriori error; adjoint error; error estimation; hyperbolic
conservation law
ID FINITE-ELEMENT METHODS; ESSENTIALLY NONOSCILLATORY SCHEMES; HYPERBOLIC
CONSERVATION-LAWS; MESH REFINEMENT; ADAPTIVITY; SIMULATIONS; EQUATIONS;
SYSTEMS; VOLUME
AB This paper is concerned with the computation of numerical discretization error for uncertainty quantification. An a posteriori error formula is described for a functional measurement of the solution to a scalar advection equation that is estimated by finite volume approximations. An exact error formula and computable error estimate are derived based on an abstractly defined approximation of the adjoint solution. The adjoint problem is divorced from the finite volume method used to approximate the forward solution variables and may be approximated using a low-order finite volume method. The accuracy of the computable error estimate provably satisfies an a priori error bound for sufficiently smooth solutions of the forward and adjoint problems. Computational examples are provided that show support of the theory for smooth solutions. The application to problems with discontinuities is also investigated computationally.
C1 [Connors, Jeffrey M.; Banks, Jeffrey W.; Hittinger, Jeffrey A.; Woodward, Carol S.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA.
RP Connors, JM (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA.
EM connors4@llnl.gov; banks20@llnl.gov; hittinger1@llnl.gov;
woodward6@llnl.gov
RI Banks, Jeffrey/A-9718-2012; Woodward, Carol/M-4008-2014
FU U.S. Department of Energy; Lawrence Livermore National Laboratory (LLNL)
[DE-AC52-07NA27344]; Uncertainty Quantification Strategic Initiative
Laboratory Directed Research and Development Project at LLNL [10-SI-013,
LLNL-JRNL-484291]
FX This work was supported by the U.S. Department of Energy, by Lawrence
Livermore National Laboratory (LLNL) under contract DE-AC52-07NA27344,
and was funded by the Uncertainty Quantification Strategic Initiative
Laboratory Directed Research and Development Project at LLNL under
project tracking code 10-SI-013, LLNL-JRNL-484291.
NR 33
TC 2
Z9 2
U1 0
U2 7
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 0036-1429
EI 1095-7170
J9 SIAM J NUMER ANAL
JI SIAM J. Numer. Anal.
PY 2013
VL 51
IS 2
BP 894
EP 926
DI 10.1137/110845100
PG 33
WC Mathematics, Applied
SC Mathematics
GA 136ZZ
UT WOS:000318405100007
ER
PT J
AU Hu, XZ
Vassilevski, PS
Xu, JC
AF Hu, Xiaozhe
Vassilevski, Panayot S.
Xu, Jinchao
TI COMPARATIVE CONVERGENCE ANALYSIS OF NONLINEAR AMLI-CYCLE MULTIGRID
SO SIAM JOURNAL ON NUMERICAL ANALYSIS
LA English
DT Article
DE multigrid; nonlinear AMLI-cycle multigrid; nonlinear preconditioned
conjugate gradient method
ID MULTILEVEL PRECONDITIONING METHODS; SMOOTHED AGGREGATION;
VARIATIONAL-PROBLEMS; V-CYCLE; AMGE; ITERATION; SPACE
AB The main purpose of this paper is to provide a comprehensive convergence analysis of the nonlinear algebraic multilevel iteration (AMLI)-cycle multigrid (MG) method for symmetric positive definite problems. Based on classical assumptions for approximation and smoothing properties, we show that the nonlinear AMLI-cycle MG method is uniformly convergent. Furthermore, under only the assumption that the smoother is convergent, we show that the nonlinear AMLI-cycle method is always better (or not worse) than the respective V-cycle MG method. Finally, numerical experiments are presented to illustrate the theoretical results.
C1 [Hu, Xiaozhe; Xu, Jinchao] Penn State Univ, Dept Math, University Pk, PA 16802 USA.
[Vassilevski, Panayot S.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA.
RP Hu, XZ (reprint author), Penn State Univ, Dept Math, University Pk, PA 16802 USA.
EM hu_x@math.psu.edu; panayot@llnl.gov; xu@math.psu.edu
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; NSF [DMS-0749202, DMS-0915153]; DOE [DE-SC0006903,
B574178, B591217]; NSFC [91130011/A0117]
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.; The research of the third author was supported in
part by NSF grants DMS-0749202 and DMS-0915153, DOE grant DE-SC0006903,
DOE subcontracts B574178 and B591217, and NSFC grant 91130011/A0117.
NR 33
TC 7
Z9 7
U1 0
U2 0
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 0036-1429
J9 SIAM J NUMER ANAL
JI SIAM J. Numer. Anal.
PY 2013
VL 51
IS 2
BP 1349
EP 1369
DI 10.1137/110850049
PG 21
WC Mathematics, Applied
SC Mathematics
GA 136ZZ
UT WOS:000318405100026
ER
PT J
AU Mitrica, B
Goodman, M
Szabelski, J
AF Mitrica, Bogdan
Goodman, Maury
Szabelski, Jacek
TI High Energy Physics in Underground Labs
SO ADVANCES IN HIGH ENERGY PHYSICS
LA English
DT Editorial Material
C1 [Mitrica, Bogdan] Horia Hulubei Natl Inst Phys & Nucl Engn, Magurele 077125, Romania.
[Goodman, Maury] Argonne Natl Lab, Argonne, IL 60439 USA.
[Szabelski, Jacek] Natl Ctr Nucl Res, PL-90137 Lodz, Poland.
RP Mitrica, B (reprint author), Horia Hulubei Natl Inst Phys & Nucl Engn, Magurele 077125, Romania.
EM mitrica@nipne.ro
NR 0
TC 0
Z9 0
U1 1
U2 3
PU HINDAWI PUBLISHING CORPORATION
PI NEW YORK
PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA
SN 1687-7357
J9 ADV HIGH ENERGY PHYS
JI Adv. High. Energy Phys.
PY 2013
AR 180610
DI 10.1155/2013/180610
PG 2
WC Physics, Particles & Fields
SC Physics
GA 157SG
UT WOS:000319918800001
ER
PT J
AU Kashif, MK
Nippe, M
Duffy, NW
Forsyth, CM
Chang, CJ
Long, JR
Spiccia, L
Bach, U
AF Kashif, Muhammad K.
Nippe, Michael
Duffy, Noel. W.
Forsyth, Craig M.
Chang, Christopher J.
Long, Jeffrey R.
Spiccia, Leone
Bach, Udo
TI Stable Dye-Sensitized Solar Cell Electrolytes Based on Cobalt(II)/(III)
Complexes of a Hexadentate Pyridyl Ligand
SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
LA English
DT Article
DE cobalt electrolytes; dye-sensitized solar cells; energy conversion;
ligand engineering
ID CHARGE RECOMBINATION; REDOX COUPLES; GENERATING HYDROGEN; ORGANIC-DYES;
TIO2; EFFICIENCY; REGENERATION; PERFORMANCE; MEDIATORS; SHUTTLE
C1 [Kashif, Muhammad K.; Bach, Udo] Monash Univ, Dept Mat Engn, Clayton, Vic 3800, Australia.
[Nippe, Michael; Chang, Christopher J.; Long, Jeffrey R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Chang, Christopher J.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA.
[Chang, Christopher J.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA.
[Nippe, Michael; Chang, Christopher J.; Long, Jeffrey R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mat Chem Sci Div, Berkeley, CA 94720 USA.
[Forsyth, Craig M.; Spiccia, Leone] Monash Univ, Dept Chem, Clayton, Vic 3800, Australia.
[Bach, Udo] Melbourne Ctr Nanofabricat, Clayton, Vic 3168, Australia.
[Bach, Udo] CSIRO, Mat Sci & Engn, Clayton, Vic 3169, Australia.
[Duffy, Noel. W.] CSIRO, Energy Technol, Clayton, Vic 3169, Australia.
RP Chang, CJ (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM chrischang@berkeley.edu; jrlong@berkeley.edu; leone.spiccia@monash.edu;
udo.bach@monash.edu
RI Duffy, Noel/G-5590-2010; Bach, Udo/F-3880-2012; Spiccia,
Leone/I-8085-2013; Nippe, Michael/A-6222-2015
OI Duffy, Noel/0000-0001-9390-8402; Spiccia, Leone/0000-0003-2258-8506;
Nippe, Michael/0000-0003-1091-4677
FU Australian Research Council; Australian Solar Institute, the Victorian
State Government (DBI-VSA and DPI-ETIS); CSIRO; Office of Science of the
U.S. Department of Energy [DE-SC0004993]
FX The authors acknowledge the Australian Research Council for providing
equipment and fellowship support and the Australian Solar Institute, the
Victorian State Government (DBI-VSA and DPI-ETIS) for financial support.
The CSIRO is acknowledged for providing support through an OCE Science
Leader position (UB). Part of the synthetic work was carried out at the
Joint Center for Artificial Photosynthesis supported by the Office of
Science of the U.S. Department of Energy under award number
DE-SC0004993.
NR 49
TC 33
Z9 33
U1 12
U2 126
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY
SN 1433-7851
J9 ANGEW CHEM INT EDIT
JI Angew. Chem.-Int. Edit.
PY 2013
VL 52
IS 21
BP 5527
EP 5531
DI 10.1002/anie.201300070
PG 5
WC Chemistry, Multidisciplinary
SC Chemistry
GA 144HB
UT WOS:000318929200015
PM 23606377
ER
PT J
AU Kundu, S
Pfaff, FF
Miceli, E
Zaharieva, I
Herwig, C
Yao, SL
Farquhar, ER
Kuhlmann, U
Bill, E
Hildebrandt, P
Dau, H
Driess, M
Limberg, C
Ray, K
AF Kundu, Subrata
Pfaff, Florian Felix
Miceli, Enrico
Zaharieva, Ivelina
Herwig, Christian
Yao, Shenglai
Farquhar, Erik R.
Kuhlmann, Uwe
Bill, Eckhard
Hildebrandt, Peter
Dau, Holger
Driess, Matthias
Limberg, Christian
Ray, Kallol
TI A High-Valent Heterobimetallic [Cu-III(mu-O)(2)Ni-III](2+) Core with
Nucleophilic Oxo Groups
SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
LA English
DT Article
DE bridging oxo ligands; copper; diamond core; nickel; nucleophilicity
ID BIS(MU-OXO) COMPLEXES; DIOXYGEN ACTIVATION; ELECTRON-TRANSFER; COPPER
PROTEINS; REACTIVITY; CONVERSION; NICKEL; SPECTROSCOPY; CHEMISTRY; SITES
C1 [Kundu, Subrata; Pfaff, Florian Felix; Miceli, Enrico; Herwig, Christian; Limberg, Christian; Ray, Kallol] Humboldt Univ, Inst Chem, D-12489 Berlin, Germany.
[Zaharieva, Ivelina; Dau, Holger] Free Univ Berlin, FB Phys, Berlin, Germany.
[Yao, Shenglai; Kuhlmann, Uwe; Hildebrandt, Peter; Driess, Matthias] Tech Univ Berlin, Inst Chem, D-10623 Berlin, Germany.
[Farquhar, Erik R.] Case Western Reserve Univ, Ctr Synchrotron Biosci, Cleveland, OH 44106 USA.
[Farquhar, Erik R.] Brookhaven Natl Lab, Ctr Prote & Bioinformat, Upton, NY 11973 USA.
[Bill, Eckhard] Max Plank Inst Chem Energiekonvers, Mulheim, Germany.
RP Driess, M (reprint author), Tech Univ Berlin, Inst Chem, Str 17 Juni 135, D-10623 Berlin, Germany.
EM matthias.driess@tu-berlin.de; christian.limberg@chemie.hu-berlin.de;
kallol.ray@chemie.hu-berlin.de
RI Zaharieva, Ivelina/H-6119-2012; Hildebrandt, Peter/J-5658-2014; Herwig,
Christian/O-5946-2016;
OI Zaharieva, Ivelina/0000-0002-4745-5307; Hildebrandt,
Peter/0000-0003-1030-5900; Kundu, Subrata/0000-0002-3533-3206
FU Cluster of Excellence "Unifying Concepts in Catalysis", Berlin [EXC
314/1]; NIH [P30-EB-009998]; United States Department of Energy, Office
of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]
FX We gratefully acknowledge financial support of this work from the
Cluster of Excellence "Unifying Concepts in Catalysis" (EXC 314/1),
Berlin. XAS data were obtained on beamline X3B of the National
Synchrotron Light Source (Brookhaven National Laboratory) and beamline
KMC-1 of BESSY, Berlin (Germany). Beamline X3B is operated by the Case
Western Reserve University Center for Synchrotron Biosciences, supported
by NIH Grant P30-EB-009998. NSLS is supported by the United States
Department of Energy, Office of Science, Office of Basic Energy
Sciences, under Contract DE-AC02-98CH10886. We also thank Prof. William
B. Tolman for helpful suggestions.
NR 37
TC 17
Z9 17
U1 3
U2 49
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY
SN 1433-7851
J9 ANGEW CHEM INT EDIT
JI Angew. Chem.-Int. Edit.
PY 2013
VL 52
IS 21
BP 5622
EP 5626
DI 10.1002/anie.201300861
PG 5
WC Chemistry, Multidisciplinary
SC Chemistry
GA 144HB
UT WOS:000318929200036
PM 23589478
ER
PT J
AU Yang, X
Post, WM
Thornton, PE
Jain, A
AF Yang, X.
Post, W. M.
Thornton, P. E.
Jain, A.
TI The distribution of soil phosphorus for global biogeochemical modeling
SO BIOGEOSCIENCES
LA English
DT Article
ID HEDLEY FRACTIONATION; NEW-ZEALAND; NUTRIENT LIMITATION; TROPICAL
FORESTS; IRON REDUCTION; MASS-BALANCE; RAIN-FOREST; CHRONOSEQUENCE;
PEDOGENESIS; CARBON
AB Phosphorus (P) is a major element required for biological activity in terrestrial ecosystems. Although the total P content in most soils can be large, only a small fraction is available or in an organic form for biological utilization because it is bound either in incompletely weathered mineral particles, adsorbed on mineral surfaces, or, over the time of soil formation, made unavailable by secondary mineral formation (occluded). In order to adequately represent phosphorus availability in global biogeochemistry-climate models, a representation of the amount and form of P in soils globally is required. We develop an approach that builds on existing knowledge of soil P processes and databases of parent material and soil P measurements to provide spatially explicit estimates of different forms of naturally occurring soil P on the global scale. We assembled data on the various forms of phosphorus in soils globally, chronosequence information, and several global spatial databases to develop a map of total soil P and the distribution among mineral bound, labile, organic, occluded, and secondary P forms in soils globally. The amount of P, to 50cm soil depth, in soil labile, organic, occluded, and secondary pools is 3.6 +/- 3, 8.6 +/- 6, 12.2 +/- 8, and 3.2 +/- 2 Pg P (Petagrams of P, 1 Pg = 1x10(15)g) respectively. The amount in soil mineral particles to the same depth is estimated at 13.0 +/- 8 Pg P for a global soil total of 40.6 +/- 18 Pg P. The large uncertainty in our estimates reflects our limited understanding of the processes controlling soil P transformations during pedogenesis and a deficiency in the number of soil P measurements. In spite of the large uncertainty, the estimated global spatial variation and distribution of different soil P forms presented in this study will be useful for global biogeochemistry models that include P as a limiting element in biological production by providing initial estimates of the available soil P for plant uptake and microbial utilization.
C1 [Yang, X.; Post, W. M.; Thornton, P. E.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Jain, A.] Univ Illinois, Urbana, IL 61801 USA.
RP Yang, X (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM yangx2@ornl.gov
RI Thornton, Peter/B-9145-2012; Yang, Xiaojuan/I-3643-2016; Jain,
Atul/D-2851-2016
OI Thornton, Peter/0000-0002-4759-5158; Yang, Xiaojuan/0000-0002-2686-745X;
Jain, Atul/0000-0002-4051-3228
FU US Department of Energy, Office of Science, Biological and Environmental
Research (BER); US Department of Energy [DE-AC05-00OR22725]; NASA
[NNX08AK75G]; Office of Science (BER), US Department of Energy
[DOE-DE-SC0006706]
FX This research was sponsored by the US Department of Energy, Office of
Science, Biological and Environmental Research (BER) programs and
performed at Oak Ridge National Laboratory (ORNL). ORNL is managed by
UT-Battelle, LLC, for the US Department of Energy under Contract No.
DE-AC05-00OR22725. We are grateful to Hans H. Durr for providing us the
lithology data. We would like to thank Beto Quesada for his comments to
improve the total P spatial pattern in Amazonia. AKJ is funded by the
NASA LCLUC Program (No. NNX08AK75G) and the Office of Science (BER), US
Department of Energy (DOE-DE-SC0006706).
NR 51
TC 24
Z9 24
U1 8
U2 80
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2013
VL 10
IS 4
BP 2525
EP 2537
DI 10.5194/bg-10-2525-2013
PG 13
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA 137KH
UT WOS:000318434200024
ER
PT J
AU Bailey, DH
Borwein, JM
AF Bailey, David H.
Borwein, Jonathan M.
TI Compressed lattice sums arising from the Poisson equation
SO BOUNDARY VALUE PROBLEMS
LA English
DT Article
DE lattice sums; Poisson equation; experimental mathematics; high-precision
computation
ID INFINITE SERIES; PRODUCTS
AB Purpose: In recent years attention has been directed to the problem of solving the Poisson equation, either in engineering scenarios (computational) or in regard to crystal structure (theoretical).
Methods: In (Bailey et al. in J. Phys. A, Math. Theor. 46:115201, 2013, doi:10.1088/1751-8113/46/11/115201) we studied a class of lattice sums that amount to solutions of Poisson's equation, utilizing some striking connections between these sums and Jacobi I-function values, together with high-precision numerical computations and the PSLQ algorithm to find certain polynomials associated with these sums. We take a similar approach in this study.
Results: We were able to develop new closed forms for certain solutions and to extend such analysis to related lattice sums. We also alluded to results for the compressed sum
phi(2)(x,y,d) :=1/pi(2) Sigma(m,n is an element of O) cos(pi mx)cos(pi n root dy)/m(2) + dn(2) , (1)
where , x, y are real numbers and denotes the odd integers. In this paper we first survey the earlier work and then discuss the sum (1) more completely.
Conclusions: As in the previous study, we find some surprisingly simple closed-form evaluations of these sums. In particular, we find that in some cases these sums are given by , where A is an algebraic number. These evaluations suggest that a deep theory interconnects all such summations. :
C1 [Bailey, David H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Borwein, Jonathan M.] Univ Newcastle, Ctr Comp Assisted Res Math & Its Applicat CARMA, Callaghan, NSW 2308, Australia.
RP Borwein, JM (reprint author), Univ Newcastle, Ctr Comp Assisted Res Math & Its Applicat CARMA, Callaghan, NSW 2308, Australia.
EM jonathan.borwein@newcastle.edu.au
FU Office of Computational and Technology Research, Division of
Mathematical, Information, and Computational Sciences of the U.S.
Department of Energy [DE-AC02-05CH11231]; Australian Research Council
FX The authors thank many colleagues and the referees for fruitful
discussions about lattice sums and theta functions. The first author
supported in part by the Director, Office of Computational and
Technology Research, Division of Mathematical, Information, and
Computational Sciences of the U.S. Department of Energy, under contract
number DE-AC02-05CH11231. The second author is supported in part by the
Australian Research Council.
NR 22
TC 0
Z9 0
U1 1
U2 5
PU SPRINGER INTERNATIONAL PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
SN 1687-2770
J9 BOUND VALUE PROBL
JI Bound. Value Probl.
PY 2013
AR 75
DI 10.1186/1687-2770-2013-75
PG 18
WC Mathematics, Applied; Mathematics
SC Mathematics
GA 149BP
UT WOS:000319293300001
ER
PT J
AU Chandrasekaran, A
Deng, K
Koh, CY
Takasuka, T
Bergeman, LF
Fox, BG
Adams, PD
Singh, AK
AF Chandrasekaran, Aarthi
Deng, Kai
Koh, Chung-Yan
Takasuka, Taichi
Bergeman, Lai F.
Fox, Brian G.
Adams, Paul D.
Singh, Anup K.
TI A universal flow cytometry assay for screening carbohydrate-active
enzymes using glycan microspheres
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID GLYCOSYLTRANSFERASES; LIGATION; BIOSYNTHESIS
AB We describe a simple, multiplexed assay that integrates glycan synthesis, bioconjugation to microspheres, fluorescent chemical/biochemical detection and multiparameter flow cytometric analysis to screen activities of different families of carbohydrate-active enzymes.
C1 [Chandrasekaran, Aarthi; Deng, Kai; Adams, Paul D.; Singh, Anup K.] Joint BioEnergy Inst, Div Technol, Emeryville, CA USA.
[Chandrasekaran, Aarthi; Deng, Kai; Koh, Chung-Yan; Singh, Anup K.] Sandia Natl Labs, Biotechnol & Bioengn Dept, Livermore, CA USA.
[Takasuka, Taichi; Bergeman, Lai F.; Fox, Brian G.] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Madison, WI USA.
[Adams, Paul D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
RP Chandrasekaran, A (reprint author), Joint BioEnergy Inst, Div Technol, Emeryville, CA USA.
EM achandrasekaran@lbl.gov; aksingh@sandia.gov
RI Adams, Paul/A-1977-2013
OI Adams, Paul/0000-0001-9333-8219
FU US DOE, Office of Science, Office of Biological and Environmental
Research [DE-AC02-05 CH11231, DE-FC02-07ER64494]; US DOE's Nuclear
Security Administration [DE-AC04-94AL85000]
FX The authors thank Dr. Rajiv Bharadwaj for insightful scientific
discussions and Prof. Richmond Sarpong of UC Berkeley for using the
instruments in his group. Work at the DOE Joint BioEnergy Institute and
DOE Great Lakes Bioenergy Research Center (GLBRC) is supported by the US
DOE, Office of Science, Office of Biological and Environmental Research,
through contracts DE-AC02-05 CH11231 (LBNL) and DE-FC02-07ER64494
(GLBRC). Sandia is a multiprogram laboratory operated by Sandia
Corporation, a Lockheed Martin Company, for US DOE's Nuclear Security
Administration under contract DE-AC04-94AL85000.
NR 20
TC 0
Z9 0
U1 1
U2 14
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2013
VL 49
IS 48
BP 5441
EP 5443
DI 10.1039/c3cc39155h
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 148EU
UT WOS:000319226700001
PM 23536035
ER
PT J
AU Mathew, KJ
O'Connor, G
Hasozbek, A
Kraiem, M
AF Mathew, K. J.
O'Connor, G.
Hasozbek, A.
Kraiem, M.
TI Total evaporation method for uranium isotope-amount ratio measurements
SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY
LA English
DT Article
ID IONIZATION MASS-SPECTROMETRY; PLUTONIUM; SAMPLES; UNCERTAINTY; TIMS
AB Total evaporation (TE) is an analysis technique for the measurement of uranium isotopic abundance ratios using thermal ionization mass spectrometry (TIMS). A small mass dependent bias observed in this analytical technique is determined by an external correction factor using well characterized standards (most often certified reference materials, CRMs). The technique had been demonstrated to be highly precise and accurate for major isotope-amount ratio measurements of uranium and plutonium. We compare the performance of the TE analytical technique for uranium isotope ratio measurements on two TIMS instruments (TRITON and MAT261) using well characterized CRMs from NBL and investigate the dependence of the instrumental mass bias on the amount of sample analyzed. It is concluded that the mass bias during a TIMS uranium isotopic analysis by TE is independent of the amount of material analyzed. Unlike the major ratio, minor isotope ratio measurements by TE are biased high due to peak-tailing from the major isotopes. The biases in the minor isotope ratio data using TE are evaluated using well characterized NBL CRMs.
C1 [Mathew, K. J.; O'Connor, G.; Hasozbek, A.; Kraiem, M.] US DOE, New Brunswick Lab, Argonne, IL 60439 USA.
RP Mathew, KJ (reprint author), US DOE, New Brunswick Lab, 9800 South Cass Ave,Bldg 350, Argonne, IL 60439 USA.
EM kattathu.mathew@ch.doe.gov
RI Hasozbek, Altug/A-8788-2010
OI Hasozbek, Altug/0000-0001-8846-0412
NR 23
TC 12
Z9 12
U1 3
U2 19
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0267-9477
J9 J ANAL ATOM SPECTROM
JI J. Anal. At. Spectrom.
PY 2013
VL 28
IS 6
BP 866
EP 876
DI 10.1039/c2ja30321c
PG 11
WC Chemistry, Analytical; Spectroscopy
SC Chemistry; Spectroscopy
GA 144MR
UT WOS:000318944300008
ER
PT J
AU Eguchi, H
Hirata, K
Kurotani, R
Fukumura, H
Singh, D
Yamamoto, M
Sato, I
Umemura, M
Yamamoto, M
Sato, M
Ishikawa, Y
AF Eguchi, Haruki
Hirata, Kunio
Kurotani, Reiko
Fukumura, Hidenobu
Singh, David
Yamamoto, Masahiro
Sato, Itaru
Umemura, Masanori
Yamamoto, Masaki
Sato, Mamoru
Ishikawa, Yoshihiro
TI Controlled drug delivery and magnetic resonance imaging with intrinsic
ferromagnetic nano-particle compound
SO JOURNAL OF PHARMACOLOGICAL SCIENCES
LA English
DT Meeting Abstract
CT 86th Annual Meeting of the Japanese-Pharmacological-Society
CY MAR 21-23, 2013
CL Fukuoka, JAPAN
SP Japanese Pharmacol Soc
C1 [Eguchi, Haruki] Res Lab IHI, Isogo Ku, Yokohama, Kanagawa 2358501, Japan.
[Hirata, Kunio; Yamamoto, Masaki] RIKEN SPring8, Hyogo 6795184, Japan.
[Kurotani, Reiko] Yamagata Univ, Fac Engn, Yonezawa, Yamagata 992, Japan.
[Fukumura, Hidenobu; Sato, Itaru; Umemura, Masanori; Ishikawa, Yoshihiro] Yokohama City Univ, Grad Sch Med, Yokohama, Kanagawa 232, Japan.
[Singh, David] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Yamamoto, Masaki] Fac Sci & Engn, Kobe, Hyogo, Japan.
[Sato, Mamoru] Int Grad Sch Arts & Sci, Yokohama, Kanagawa, Japan.
RI Yamamoto, Masaki/B-7844-2015
OI Yamamoto, Masaki/0000-0002-1311-1768
NR 0
TC 0
Z9 0
U1 0
U2 3
PU JAPANESE PHARMACOLOGICAL SOC
PI KYOTO
PA EDITORIAL OFF, KANTOHYA BLDG GOKOMACHI-EBISUGAWA NAKAGYO-KU, KYOTO, 604,
JAPAN
SN 1347-8613
J9 J PHARMACOL SCI
JI J. Pharmacol. Sci.
PY 2013
VL 121
SU 1
BP 125P
EP 125P
PG 1
WC Pharmacology & Pharmacy
SC Pharmacology & Pharmacy
GA 151WL
UT WOS:000319491000419
ER
PT J
AU Weed, AMK
Dvornik, J
Stefancin, JJ
Gyapong, AA
Svec, F
Zajickova, Z
AF Weed, Anna-Marie Karen
Dvornik, Jill
Stefancin, John Jacob
Gyapong, Afua Asantewaa
Svec, Frantisek
Zajickova, Zuzana
TI Photopolymerized organo-silica hybrid monolithic columns:
Characterization of their performance in capillary liquid chromatography
SO JOURNAL OF SEPARATION SCIENCE
LA English
DT Article
DE Hybrid; Monolith; Organo-silica; Photopolymerization; Sol-gel
ID SOL-GEL MONOLITHS; MASS-SPECTROMETRY; SURFACE MODIFICATION;
HIGH-EFFICIENCY; ELECTROCHROMATOGRAPHY; SEPARATION; HPLC; PHASE;
METHACRYLATE; BEHAVIOR
AB Porous hybrid organo-silica monoliths have been prepared inside pretreated 100 mu m id UV transparent fused-silica capillaries using simultaneous sol-gel transition and polymerization of 3-(methacryloyloxy) propyl trimethoxysilane in the presence of toluene as a porogen. The sol-gel reaction was catalyzed by hydrochloric acid while various photoinitiators including azobisisobutyronitrile, 2,2-dimethoxy-2-phenylacetophenone, and Irgacure 819 were used for the photopolymerization carried out under irradiation with UV light at a wavelength of 254 or 365 nm. The chromatographic performance of photopolymerized monolithic columns in RP liquid chromatographic mode was assessed with respect to the following metrics: column efficiency, methylene and steric selectivity, effect of silanol groups, van Deemter plot, permeability, and pore size distribution. Columns with an efficiency of up to 77 000 plates/m for benzene has been achieved at a flow velocity of 0.47 mm/s. The performance of photopolymerized hybrid monolithic column was compared to the performance of columns prepared via thermally initiated polymerization.
C1 [Weed, Anna-Marie Karen; Dvornik, Jill; Stefancin, John Jacob; Gyapong, Afua Asantewaa; Zajickova, Zuzana] Barry Univ, Dept Phys Sci, Miami Shores, FL 33161 USA.
[Svec, Frantisek] EO Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA USA.
RP Zajickova, Z (reprint author), Barry Univ, Dept Phys Sci, 11300 NE 2nd Ave, Miami Shores, FL 33161 USA.
EM ZZajickova@mail.barry.edu
RI Foundry, Molecular/G-9968-2014
FU Office of Science, Office of Basic Energy Sciences of the U.S.
Department of Energy [DE-AC02-05CH11231]; Department of Energy
(DOE)/National Science Foundation (NSF) Faculty and Student Team (FaST)
Program; National Science Foundation [CBET-1066113]
FX Experimental work carried out at the Molecular Foundry, Lawrence
Berkeley National Laboratory and F. S. were supported by the Office of
Science, Office of Basic Energy Sciences of the U.S. Department of
Energy under Contract No. DE-AC02-05CH11231. J.S. and Z.Z. were
supported by the Department of Energy (DOE)/National Science Foundation
(NSF) Faculty and Student Team (FaST) Program. A-M. W., J.D., A. G., and
Z.Z. were also supported by the National Science Foundation
CBET-1066113. Jiri Urban and Jana Krenkova are kindly acknowledged for
their valuable suggestions helping implementation of this project.
NR 33
TC 15
Z9 15
U1 2
U2 50
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1615-9306
EI 1615-9314
J9 J SEP SCI
JI J. Sep. Sci.
PD JAN
PY 2013
VL 36
IS 2
BP 270
EP 278
DI 10.1002/jssc.201200760
PG 9
WC Chemistry, Analytical
SC Chemistry
GA 156YE
UT WOS:000319859500007
PM 23212714
ER
PT J
AU Bonner, IJ
Kenney, KL
AF Bonner, Ian J.
Kenney, Kevin L.
TI Moisture sorption characteristics and modeling of energy sorghum
(Sorghum bicolor (L.) Moench)
SO JOURNAL OF STORED PRODUCTS RESEARCH
LA English
DT Article
DE Sorghum bicolor; Aerobic storage; Dynamic dew-point isotherm;
Equilibrium moisture content; Monolayer moisture; Heat of sorption
ID SWEET SORGHUM; THERMODYNAMIC PROPERTIES; ISOSTERIC HEATS; WATER
ACTIVITY; ADSORPTION; STORAGE; DESORPTION; BIOETHANOL; FEEDSTOCK;
SYSTEMS
AB Long-term low cost storage of whole-stalk lignocellulosic energy sorghum biomass (specialized forage varieties of Sorghum bicolor (L) Moench) is essential for the feedstock's successful role as a dedicated energy crop for ethanol production. As an alternative to expensive ensiling methods, aerobic storage of S. bicolor (L) Moench biomass in traditional rectangular bale formats could alleviate feedstock supply costs if material deterioration in storage could be minimized. Moisture desorption and adsorption isotherms for S. bicolor (L) Moench were created at 15 degrees C, 20 degrees C, 30 degrees C, and 40 degrees C with water activities from 0.1 to 0.9 using the dynamic dew-point method. Sorption isotherms were modeled using four temperature dependent and three temperature independent equations. The relationship between equilibrium moisture content and water activity was found to decrease with increasing temperatures. GAB (Guggenheim-Anderson-de Boer) monolayer moisture content and the moisture content at which microbial activity becomes limited were found to range from 5.6% db to 10.4% dry basis (db) and 12.0% db to 18.4% db, respectively. The net isosteric heat of sorption was calculated using the Clausius-Clapeyron equation and determined to be higher for desorption than adsorption with both trends decreasing exponentially at increasing levels of moisture content. The differential entropy of S. bicolor (L) Moench was shown to exhibit a log normal relationship with moisture; peaking near the monolayer moisture content. The results of the study indicate that aerobic storage of energy sorghum biomass may be similar to other herbaceous feedstocks should extensive drying occur before entering storage. (c) 2012 Elsevier Ltd. All rights reserved.
C1 [Bonner, Ian J.; Kenney, Kevin L.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Bonner, IJ (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA.
EM ian.bonner@inl.gov
FU U.S. Department of Energy, under DOE Idaho Operations Office
[DE-AC07-05ID14517]; U.S. Government
FX This work is supported by the U.S. Department of Energy, under DOE Idaho
Operations Office Contract DE-AC07-05ID14517. Accordingly, the U.S.
Government retains a nonexclusive, royalty-free license to publish or
reproduce the published form of U.S. Government purposes.; This
information was prepared as an account of work sponsored by an agency of
the U.S. Government. Neither the U.S. 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 is use would not infringe
privately owned rights. References herein to any specific commercial
product, process, or service by trade name, trademark, manufacturer, or
otherwise, does not or favoring by the U.S. Government or any agency
thereof. The views and opinions of authors expressed herein do not
necessarily state or reflect those of the U.S. Government or any agency
thereof.
NR 44
TC 9
Z9 9
U1 0
U2 15
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0022-474X
J9 J STORED PROD RES
JI J. Stored Prod. Res.
PD JAN
PY 2013
VL 52
BP 128
EP 136
DI 10.1016/j.jspr.2012.11.002
PG 9
WC Entomology
SC Entomology
GA 150BU
UT WOS:000319366000021
ER
PT J
AU Borkiewicz, OJ
Chapman, KW
Chupas, PJ
AF Borkiewicz, Olaf J.
Chapman, Karena W.
Chupas, Peter J.
TI Mapping spatially inhomogeneous electrochemical reactions in battery
electrodes using high energy X-rays
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID LITHIUM-ION BATTERIES; CONVERSION REACTION
AB The spatial distribution of a reaction through a lithium-ion battery electrode has been resolved using micro-beam high-energy X-ray scattering measurements coupled with Pair Distribution Function (PDF) analysis. The electrochemical reaction was most advanced at the interface between the electrode and electrolyte-soaked separator, with linear variation in reaction progress with distance from this interface.
C1 [Borkiewicz, Olaf J.; Chapman, Karena W.; Chupas, Peter J.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
RP Chapman, KW (reprint author), Argonne Natl Lab, Adv Photon Source, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM chapmank@aps.anl.gov; chupas@aps.anl.gov
FU Northeastern Center for Chemical Energy Storage, an Energy Frontier
Research Center; U.S. DOE, BES [DE-SC0001294]; U.S. DOE
[DE-AC02-06CH11357]
FX This work was supported by the Northeastern Center for Chemical Energy
Storage, an Energy Frontier Research Center funded by the U.S. DOE, BES
under award No. DE-SC0001294. Work done at Argonne and use of the
Advanced Photon Source, an Office of Science User Facility operated for
the U.S. DOE Office of Science by Argonne National Laboratory, were
supported by the U.S. DOE under Contract No. DE-AC02-06CH11357.
NR 16
TC 4
Z9 4
U1 0
U2 52
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 22
BP 8466
EP 8469
DI 10.1039/c3cp50590a
PG 4
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 145HN
UT WOS:000319006100003
PM 23598687
ER
PT J
AU Yang, XH
Masadeh, AS
McBride, JR
Bozin, ES
Rosenthal, SJ
Billinge, SJL
AF Yang, Xiaohao
Masadeh, Ahmad S.
McBride, James R.
Bozin, Emil S.
Rosenthal, Sandra J.
Billinge, Simon J. L.
TI Confirmation of disordered structure of ultrasmall CdSe nanoparticles
from X-ray atomic pair distribution function analysis
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID CADMIUM SELENIDE NANOCRYSTALS; WHITE-LIGHT EMISSION; DIFFRACTION DATA;
TRANSFORMATION
AB The atomic pair distribution function (PDF) analysis of X-ray powder diffraction data has been used to study the structure of small and ultra-small CdSe nanoparticles. A method is described that uses a wurtzite and zinc-blende mixed phase model to account for stacking faults in CdSe particles. The mixed-phase model successfully describes the structure of nanoparticles larger than 2 nm yielding a stacking fault density of about 30%. However, for ultrasmall nanoparticles smaller than 2 nm, the models cannot fit the experimental PDF showing that the structure is significantly modified from that of larger particles and the bulk. The observation of a significant change in the average structure at ultra-small size is likely to explain the unusual properties of the ultrasmall particles such as their white light emitting ability.
C1 [Yang, Xiaohao; Billinge, Simon J. L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
[Masadeh, Ahmad S.] Univ Jordan, Dept Phys, Amman 11942, Jordan.
[McBride, James R.; Rosenthal, Sandra J.] Vanderbilt Univ, Dept Chem, Nashville, TN 37235 USA.
[Bozin, Emil S.; Billinge, Simon J. L.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
RP Billinge, SJL (reprint author), Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
EM sb2896@columbia.edu
RI Yang, Xiaohao/H-3977-2013; McBride, James/D-2934-2012
OI Yang, Xiaohao/0000-0001-6136-3575; McBride, James/0000-0003-0161-7283
FU Center for Re-Defining Photovoltaic Efficiency Through Molecule Scale
Control, an Energy Frontier Research Center; U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences [DE-SC0001085]; U.S.
DOE, Office of Science, Office of Basic Energy Sciences
[W-31-109-Eng-38]
FX We would like to acknowledge help from Pavol Juhas, Mouath Shatnawi,
HyunJeong Kim and Christos Malliakas for help in collecting data. The
X-ray data collection and analysis were supported as part of the Center
for Re-Defining Photovoltaic Efficiency Through Molecule Scale Control,
an Energy Frontier Research Center funded by the U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences under Award
Number DE-SC0001085. Data were collected at the 6IDD beamline of the
MUCAT sector at the Advanced Photon Source (APS). Use of the APS is
supported by the U.S. DOE, Office of Science, Office of Basic Energy
Sciences, under Contract No. W-31-109-Eng-38.
NR 36
TC 19
Z9 19
U1 2
U2 41
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 22
BP 8480
EP 8486
DI 10.1039/c3cp00111c
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 145HN
UT WOS:000319006100005
PM 23525376
ER
PT J
AU Bytchkov, A
Cuello, GJ
Kohara, S
Benmore, CJ
Price, DL
Bychkov, E
AF Bytchkov, Aleksei
Cuello, Gabriel J.
Kohara, Shinji
Benmore, Chris J.
Price, David L.
Bychkov, Eugene
TI Unraveling the atomic structure of Ge-rich sulfide glasses
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID NEUTRON-DIFFRACTION; RANGE ORDER; AMORPHOUS SOLIDS; BINARY GLASSES; S
GLASSES; X-RAY; CHALCOGENIDE; SCATTERING; SYSTEMS; ALLOYS
AB In contrast to the well-established structure of glassy GeS2, consisting of corner- and edge-sharing GeS4/2 tetrahedra, the structural features of Ge-rich sulfide alloys remain essentially unknown. Two contrasting points of view: (1) a tetrahedral model, and (2) a distorted NaCl approach were neither confirmed nor excluded mostly because of missing advanced structural studies. Using high-energy X-ray scattering and neutron diffraction, we show the complexity of the short and intermediate range order in GexS1-x glasses, 1/3 <= x <= 0.47, formed by corner- and edge-sharing tetrahedra with two-fold coordinated sulfur species and a variable number of Ge-Ge bonds, and Ge-S units with three-fold coordinated sulfur at x >= 0.36.
C1 [Bytchkov, Aleksei; Bychkov, Eugene] Univ Littoral, F-59140 Dunkerque, France.
[Bytchkov, Aleksei; Cuello, Gabriel J.] Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France.
[Kohara, Shinji] Japan Synchrotron Radiat Res Inst, Sayo, Hyogo 6795198, Japan.
[Benmore, Chris J.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Price, David L.] Univ Orleans, F-45071 Orleans 2, France.
RP Bytchkov, A (reprint author), Univ Littoral, F-59140 Dunkerque, France.
EM bytchkov@ill.fr
RI Cuello, Gabriel/C-5831-2009; bytchkov, aleksei/F-2609-2012;
OI Cuello, Gabriel/0000-0003-3844-0602; Benmore, Chris/0000-0001-7007-7749
FU Centre for Advanced Science and Technology (Japan); U.S. Department of
Energy, Office of Science [DE-AC02-06CH11357]; European Commission
FX The authors are grateful to M. Fourmentin, V. Tsegelnik and M. Bokova
for glass synthesis, M. Milochova for DSC measurements, and D. Bowron
for help with neutron diffraction measurements. The experiments at the
SPring-8 were approved by the Japan Synchrotron Radiation Research
Institute and supported by the Centre for Advanced Science and
Technology (Japan). The work at Argonne was supported by the U.S.
Department of Energy, Office of Science, under Contract No.
DE-AC02-06CH11357. The work at the Universite du Littoral (France) was
supported by the European Commission within the Interreg IIIA and IVA
programs (CTMM and CleanTech projects).
NR 51
TC 11
Z9 11
U1 0
U2 23
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 22
BP 8487
EP 8494
DI 10.1039/c3cp50536g
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 145HN
UT WOS:000319006100006
PM 23615750
ER
PT J
AU Petkov, V
Ren, Y
Kabekkodu, S
Murphy, D
AF Petkov, V.
Ren, Y.
Kabekkodu, S.
Murphy, D.
TI Atomic pair distribution functions analysis of disordered low-Z
materials
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID X-RAY-DIFFRACTION; CRYSTAL-STRUCTURE; SCATTERING; FILMS; WATER
AB Results of high-energy X-ray diffraction experiments coupled to atomic pair distribution function analysis of disordered low-Z materials are presented. Several scientifically and technologically important classes of disordered low-Z materials such as small and large organic molecules, graphitic powders, polymers and liquids are intentionally explored to certify the technique's performance. Results clearly show that disordered low-Z materials can be well characterized in terms of material's phase identity, relative abundance in mixtures and atomic-scale structure. The demonstrated efficiency of the technique provides the scientific community with much needed confidence to apply it more often than now.
C1 [Petkov, V.] Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48859 USA.
[Ren, Y.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
[Kabekkodu, S.] Int Ctr Diffract Data, Newtown Sq, PA 19073 USA.
[Murphy, D.] Bristol Myers Squibb Co, Drug Prod Sci & Technol, New Brunswick, NJ 08903 USA.
RP Petkov, V (reprint author), Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48859 USA.
EM petko1vg@cmich.edu
FU DOE [DE-AC02-06CH11357]
FX VP acknowledges help from DOE via DE-SC0006877, NSF and ARL. Work at APS
has been supported by DOE under Contract DE-AC02-06CH11357.
NR 28
TC 9
Z9 9
U1 0
U2 25
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 22
BP 8544
EP 8554
DI 10.1039/c2cp43378h
PG 11
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 145HN
UT WOS:000319006100011
PM 23318354
ER
PT J
AU Skinner, LB
Benmore, CJ
Weber, JKR
Wilding, MC
Tumber, SK
Parise, JB
AF Skinner, L. B.
Benmore, C. J.
Weber, J. K. R.
Wilding, M. C.
Tumber, S. K.
Parise, J. B.
TI A time resolved high energy X-ray diffraction study of cooling liquid
SiO2
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID VITREOUS SILICA; SCATTERING FACTORS; TEMPERATURE; GLASSES; NEUTRON
AB The evolution of the X-ray structure factor and corresponding pair distribution function of SiO2 has been measured upon cooling from the melt using high energy X-ray diffraction combined with aerodynamic levitation. Small changes in the position of the average Si-O bond distance and peak width are found to occur at similar to 1500(100) K in the region of the calorimetric glass transition temperature, T-g and the observed density minima. At higher temperatures deviations from linear behavior are seen in the first sharp diffraction peak width, height and area at around 1750(50) K, which coincides with the reported density maximum around 1.2T(g).
C1 [Skinner, L. B.; Benmore, C. J.; Weber, J. K. R.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
[Skinner, L. B.; Parise, J. B.] SUNY Stony Brook, Inst Mineral Phys, Stony Brook, NY 11794 USA.
[Weber, J. K. R.; Tumber, S. K.] Mat Dev Inc, Arlington Hts, IL 60004 USA.
[Wilding, M. C.] Univ Wales, Inst Math & Phys Sci, Aberystwyth SY23 3BZ, Cerdigion, Wales.
[Parise, J. B.] SUNY Stony Brook, Dept Geosci, New York, NY 11794 USA.
[Parise, J. B.] Brookhaven Natl Lab, Photon Sci Div, Upton, NY 11973 USA.
RP Benmore, CJ (reprint author), Argonne Natl Lab, Adv Photon Source, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM benmore@aps.anl.gov
RI Skinner, Lawrie/I-2603-2012
OI Benmore, Chris/0000-0001-7007-7749; Skinner, Lawrie/0000-0001-7317-1642
FU US DOE Argonne National Laboratory [DE-AC02-06CH11357]; [DE-SC0004684];
[DE-SC0007564]
FX Rick Spence is thanked for help with setting up the levitation equipment
on beamline 11-ID-C at the APS. This work was supported by the US DOE
Argonne National Laboratory under contract number DE-AC02-06CH11357.
Grants DE-SC0004684, DE-SC0007564 supported JBP and LS, and
DE-FG02-09ER46650 supported data collection and analysis.
NR 25
TC 5
Z9 5
U1 1
U2 39
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 22
BP 8566
EP 8572
DI 10.1039/c3cp44347g
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 145HN
UT WOS:000319006100013
PM 23588490
ER
PT J
AU White, CE
Provis, JL
Bloomer, B
Henson, NJ
Page, K
AF White, Claire E.
Provis, John L.
Bloomer, Breaunnah
Henson, Neil J.
Page, Katharine
TI In situ X-ray pair distribution function analysis of geopolymer gel
nanostructure formation kinetics
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID MONTE-CARLO-SIMULATION; C-S-H; LOCAL-STRUCTURE; ZEOLITE SYNTHESIS;
METAKAOLIN; EVOLUTION; CONCRETE; BLENDS; BINDER; MICROSTRUCTURE
AB With the ever-increasing environmentally-driven demand for technologically advanced structural materials, geopolymer cement is fast becoming a viable alternative to traditional cements due to its proven engineering characteristics and the reduction in CO2 emitted during manufacturing (as much as 80% less CO2 emitted in manufacture, compared to ordinary Portland cement). Nevertheless, much remains unknown regarding the kinetics of reaction responsible for nanostructural evolution during the geopolymerisation process. Here, in situ X-ray total scattering measurements and pair distribution function (PDF) analysis are used to quantify the extent of reaction as a function of time for alkali-activated metakaolin/slag geopolymer binders, including the impact of various activators (alkali hydroxide/silicate) on the kinetics of the geopolymerisation reaction. Quantifying the reaction process in situ from X-ray PDF data collected during the initial ten hours can provide an estimate of the total reaction extent, but when combined with data obtained at longer times (128 days here) enables more accurate determination of the overall rate of reaction. To further assess the initial stages of the geopolymerisation reaction process, a pseudo-single step first order rate equation is fitted to the extent of reaction data, which reveals important mechanistic information regarding the role of free silica in the activators in the evolution of the binder systems. Hence, it is shown that in situ X-ray PDF analysis is an ideal experimental local structure tool to probe the reaction kinetics of complex reacting systems involving transitions between disordered/amorphous phases, of which geopolymerisation is an important example.
C1 [White, Claire E.; Bloomer, Breaunnah; Page, Katharine] Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA.
[White, Claire E.; Henson, Neil J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[White, Claire E.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
[Provis, John L.] Univ Sheffield, Dept Mat Sci & Engn, Sheffield, S Yorkshire, England.
RP White, CE (reprint author), Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Mailstop H805, Los Alamos, NM 87545 USA.
EM whitece@lanl.gov
RI Page, Katharine/C-9726-2009; Provis, John/A-7631-2008; White,
Claire/A-1722-2011;
OI Page, Katharine/0000-0002-9071-3383; Provis, John/0000-0003-3372-8922;
White, Claire/0000-0002-4800-7960; Henson, Neil/0000-0002-1842-7884
FU Los Alamos National Laboratory; Los Alamos National Security LLC under
DOE [DE-AC52-06NA25396]; Faculty of Engineering, University of
Sheffield; U.S. Department of Energy through the LANL/LDRD Program; U.S.
DOE Office of Science by Argonne National Laboratory, under U.S. DOE
[DE-AC02-06CH11357]
FX The authors thank Dr Karena Chapman and Kevin Beyer, ANL, for assistance
with sample loading, data acquisition and data reduction on 11-ID-B at
the APS, and Dr Dingwu Feng and Prof. Jannie van Deventer, University of
Melbourne, for assistance in synthesis of slags and for valuable
discussions. The participation of CEW, KP and NJH in this work was
supported by Los Alamos National Laboratory, which is operated by Los
Alamos National Security LLC under DOE Contract DE-AC52-06NA25396, and
the participation of JLP was made possible by funding from the Faculty
of Engineering, University of Sheffield. Furthermore, CEW gratefully
acknowledges the support of the U.S. Department of Energy through the
LANL/LDRD Program. The 11-ID-B beam line is located at the Advanced
Photon Source, an Office of Science User Facility operated for the U.S.
DOE Office of Science by Argonne National Laboratory, under U.S. DOE
Contract No. DE-AC02-06CH11357.
NR 56
TC 14
Z9 15
U1 2
U2 51
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 22
BP 8573
EP 8582
DI 10.1039/c3cp44342f
PG 10
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 145HN
UT WOS:000319006100014
PM 23450172
ER
PT J
AU Wilding, MC
Wilson, M
Benmore, CJ
Weber, JKR
McMillan, PF
AF Wilding, Martin C.
Wilson, Mark
Benmore, Chris J.
Weber, J. K. R.
McMillan, Paul F.
TI Structural changes in supercooled Al2O3-Y2O3 liquids
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID PRESSURE MOLECULAR-DYNAMICS; PHASE-TRANSITIONS; NEUTRON-DIFFRACTION;
AB-INITIO; GLASS-TRANSITION; ALUMINUM-OXIDE; IONIC SYSTEMS;
BOND-LATTICE; X-RAY; MODEL
AB Structural changes in liquids between Al2O3 and Y2O3 are investigated as a function of the composition and during supercooling using high energy X-ray diffraction (HEXRD) techniques combined with containerless aerodynamic levitation. Many-body molecular dynamics simulation techniques utilizing potential models that incorporate anion polarization effects are applied to study the same liquid systems. The X-ray scattering experiments indicate a change in liquid structure during supercooling around a composition 20% Y2O3 (AlY20) that occurs over a narrow temperature interval. We have associated this change in structure with the onset of a liquid-liquid phase transformation. Analysis of the MD simulated structures has allowed the structure changes to be interpreted in terms of Al3+ and Y3+ coordination environments and particularly the Y3+-Y3+ structural correlations. We show that the incipient liquid-liquid phase transition behaviour is correlated with local density fluctuations that represent different coordination polyhedra surrounding oxygen ions. The difference in energy and volume associated with this sampling of high and low density basins in the underlying energy landscape is consistent with independent verifications of the volume and enthalpy differences between different amorphous forms. The differences in the high- and low-density configurations match the difference in diffraction patterns observed experimentally.
C1 [Wilding, Martin C.] Aberystwyth Univ, Inst Math & Phys Sci, Aberystwyth SY23 3BZ, Dyfed, Wales.
[Wilson, Mark] Univ Oxford, Phys & Theoret Chem Lab, Dept Chem, Oxford OX1 3QZ, England.
[Benmore, Chris J.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA.
[Weber, J. K. R.] Mat Dev Inc, Arlington Hts, IL 60004 USA.
[McMillan, Paul F.] UCL, Dept Chem, London WC1H 0AJ, England.
RP Wilding, MC (reprint author), Aberystwyth Univ, Inst Math & Phys Sci, Aberystwyth SY23 3BZ, Dyfed, Wales.
OI Benmore, Chris/0000-0001-7007-7749
FU U.S. DOE, at the Advanced Photon Source, Argonne National Laboratory
[DE-AC02-06CH11357]
FX This work was supported by the U.S. DOE, at the Advanced Photon Source,
Argonne National Laboratory under contract number DE-AC02-06CH11357. The
authors thank Guy Jennings for technical help with the fast X-ray data
acquisition. We would also like to thank Dr Stuart Kearns of the
Department of Earth Sciences Department, University of Bristol for help
with electron microprobe analysis.
NR 74
TC 8
Z9 8
U1 1
U2 38
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2013
VL 15
IS 22
BP 8589
EP 8605
DI 10.1039/c3cp51209f
PG 17
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA 145HN
UT WOS:000319006100016
PM 23620162
ER
EF