FN Thomson Reuters Web of Science™
VR 1.0
PT J
AU Cai, S
Schaffer, JE
Ren, Y
AF Cai, S.
Schaffer, J. E.
Ren, Y.
TI Stress-induced phase transformation and room temperature aging in
Ti-Nb-Fe alloys
SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES
MICROSTRUCTURE AND PROCESSING
LA English
DT Article
DE Beta Ti alloy; Synchrotron X-ray; Stress-induced phase transformation;
Room temperature aging; Super-elasticity; Omega phase
ID ELASTIC-DEFORMATION-BEHAVIOR; SHAPE-MEMORY BEHAVIOR; SUPERELASTIC
ALLOYS; TEXTURE; STENTS
AB Room temperature deformation behavior of Ti-17Nb-1Fe and Ti-17Nb-2Fe alloys was studied by synchrotron X-ray diffraction and tensile testing. It was found that, after proper heat treatment, both alloys were able to recover a deformation strain of above 3.5% due to the Stress-induced Martensite (SIM) phase transformation. Higher Fe content increased the beta phase stability and onset stress for SIM transformation. A strong {110}(beta) texture was produced in Ti-17Nb-2Fe compared to the {210}(beta) texture that was observed in Ti-17Nb-1Fe. Room temperature aging was observed in both alloys, where the formation of the omega phase increased the yield strength (also SIM onset stress), and decreased the ductility and strain recovery. Other metastable beta Ti alloys may show a similar aging response and this should draw the attention of materials design engineers.
C1 [Cai, S.; Schaffer, J. E.] Ft Wayne Met Res Prod Corp, 9609 Ardmore Ave, Ft Wayne, IN 46809 USA.
[Ren, Y.] Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Cai, S (reprint author), Ft Wayne Met Res Prod Corp, 9609 Ardmore Ave, Ft Wayne, IN 46809 USA.
FU Fort Wayne Metals Research Products Corp.; U.S. Department of Energy,
USA Office of Science [DEAC02-06CH11357]
FX This study was funded by Fort Wayne Metals Research Products Corp. Use
of the synchrotron X-ray at APS was granted by the U.S. Department of
Energy, USA Office of Science, under Contract No. DEAC02-06CH11357. Data
were analyzed by using FIT2D, Maud and GSAS software.
NR 23
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PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0921-5093
EI 1873-4936
J9 MAT SCI ENG A-STRUCT
JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process.
PD JAN 5
PY 2017
VL 680
BP 13
EP 20
DI 10.1016/j.msea.2016.10.060
PG 8
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Metallurgy & Metallurgical Engineering
SC Science & Technology - Other Topics; Materials Science; Metallurgy &
Metallurgical Engineering
GA EF7FN
UT WOS:000390495600002
ER
PT J
AU Yang, H
Yu, D
Chen, Y
Mu, J
Wang, YD
An, K
AF Yang, H.
Yu, D.
Chen, Y.
Mu, J.
Wang, Y. D.
An, K.
TI In-situ TOF neutron diffraction studies of cyclic softening in
superelasticity of a NiFeGaCo shape memory alloy
SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES
MICROSTRUCTURE AND PROCESSING
LA English
DT Article
DE Ferromagnetic shape memory alloy; Ni-Fe-Ga-Co; Superelasticity; Neutron
diffraction; Stress-induced martensitic transformation
ID INDUCED MARTENSITIC-TRANSFORMATION; SINGLE-CRYSTALS; MAGNETIC-FIELD;
STRESS; NITI; DEFORMATION; COMPRESSION; STRAINS; TENSION; SIZE
AB Real-time in-situ neutron diffraction was conducted during uniaxial cycling compression of a Ni(49.)3Fe(13)Ga(27)C(05.7) shape memory alloy to explore the mechanism on its superelasticity at room temperature, which was manifested by the almost recoverable large strains and the apparent cyclic softening. Based on the Rietveld refinements, the real-time evolution of volume fraction of martensite was in-situ monitored, indicating the incremental amount of residual martensite with increasing load cycles. Real-time changes in intensities and lattice strains of {hkl} reflections for individual phase were obtained through fitting individual peaks, which reveal the quantitative information on phase transformation kinetics as a function of grain orientation and stress/strain partitioning. Moreover, a large compressive residual stress was evidenced in the parent phase, which should be balanced by the residual martensite after the second unloading cycle. The large compressive residual stress found in the parent austenite phase may account for the cyclic effect on critical stress required for triggering the martensitic transformation in the subsequent loading.
C1 [Yang, H.; Mu, J.; Wang, Y. D.] Northeastern Univ, Key Lab Anisotropy & Texture Mat, Shenyang 110819, Peoples R China.
[Yang, H.; Yu, D.; Chen, Y.; An, K.] Oak Ridge Natl Lab, Chem Engn Mat Div, Oak Ridge, TN 37831 USA.
[Yang, H.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Yu, D.] Tianjin Univ, Sch Chem Engn & Technol, Tianjin 300072, Peoples R China.
[Wang, Y. D.] Univ Sci & Technol Beijing, State Key Lab Adv Met & Mat, Beijing 100083, Peoples R China.
RP Wang, YD (reprint author), Northeastern Univ, Key Lab Anisotropy & Texture Mat, Shenyang 110819, Peoples R China.; An, K (reprint author), Oak Ridge Natl Lab, Chem Engn Mat Div, Oak Ridge, TN 37831 USA.; Wang, YD (reprint author), Univ Sci & Technol Beijing, State Key Lab Adv Met & Mat, Beijing 100083, Peoples R China.
EM ydwang@mail.neu.edu.cn; kean@ornl.gov
RI An, Ke/G-5226-2011; wang, yandong/G-9404-2013
OI An, Ke/0000-0002-6093-429X;
FU National Science Foundation of China (NSFC) [51471032, 51527801];
National Basic Research Program of China (973 Program) [2012CB619405];
China Scholarship Council; Scientific User Facilities Division, Office
of Basic Energy Sciences (BES), U.S. Department of Energy
FX This work was supported by National Science Foundation of China (NSFC)
(Grant No.s 51471032 and 51527801), the National Basic Research Program
of China (973 Program) under Contract No. 2012CB619405. H. Y. would like
to thank the China Scholarship Council for the financial support during
the visit to University of Tennessee, TN and SNS, ORNL. Neutron
scattering experiment was carried out at Spallation Neutron Source (SNS)
which is national user facilities sponsored by the Scientific User
Facilities Division, Office of Basic Energy Sciences (BES), U.S.
Department of Energy.
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PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0921-5093
EI 1873-4936
J9 MAT SCI ENG A-STRUCT
JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process.
PD JAN 5
PY 2017
VL 680
BP 324
EP 328
DI 10.1016/j.msea.2016.10.078
PG 5
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Metallurgy & Metallurgical Engineering
SC Science & Technology - Other Topics; Materials Science; Metallurgy &
Metallurgical Engineering
GA EF7FN
UT WOS:000390495600038
ER
PT J
AU Kirka, MM
Medina, F
Dehoff, R
Okello, A
AF Kirka, Michael M.
Medina, Frank
Dehoff, Ryan
Okello, Alfred
TI Mechanical behavior of post-processed Inconel 718 manufactured through
the electron beam melting process
SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES
MICROSTRUCTURE AND PROCESSING
LA English
DT Article
DE Ni-base superalloy; Electron beam melting; Post-processing; Hot
isostatic pressing; Additive manufacuring
ID HEAT-TREATMENT; CAST ALLOY-718; DELTA-PHASE; MICROSTRUCTURE; SUPERALLOY;
PRECIPITATION; HETEROGENEITY
AB The electron beam melting (EBM) process was used to fabricate Inconel 718. The microstructure and tensile properties were characterized in both the as-fabricated and post-processed state transverse (T-orientation) and longitudinal (L-orientation) to the build direction. Post-processing involved both a hot isostatic pressing (HIP) and solution treatment and aging (STA) to homogenize the microstructure. In the as-fabricated state, EBM Inconel 718 exhibits a spatially dependent microstructure that is a function of build height. Spanning the last few layers is a cored dendritic structure comprised of the products (carbides and Laves phase) predicted under equilibrium solidification conditions. With increasing distance from the build's top surface, the cored dendritic structure becomes increasingly homogeneous with complete dissolution of the secondary dendrite arms. Further, temporal phase kinetics are observed to lead to the dissolution of the strengthening gamma '' and precipitation of networks of fine delta needles that span the grains. Microstructurally, post-processing resulted in dissolution of the delta networks and homogeneous precipitation of gamma '' throughout the height of the build. In the as-fabricated state, the monotonic tensile behavior exhibits a height sensitivity within the T-orientation at both 20 and 650 degrees C. Along the L-orientation, the tensile behavior exhibits strength values comparable to the reference wrought material in the fully heat-treated state. After post-processing, the yield strength, ultimate strength, and elongation at failure for the EBM Inconel 718 were observed to have beneficially increased compared to the as fabricated material. Further, as a result of post-processing the spatial variance of the ultimate yield strength and elongation at failure within the transverse direction decreased by 4 and 3x respectively.
C1 [Kirka, Michael M.; Dehoff, Ryan; Okello, Alfred] Oak Ridge Natl Lab, Mfg Demonstrat Facil, Knoxville, TN 37831 USA.
[Kirka, Michael M.; Dehoff, Ryan; Okello, Alfred] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN USA.
[Medina, Frank] Arcam AB, Molndal, Sweden.
RP Kirka, MM (reprint author), Oak Ridge Natl Lab, Mfg Demonstrat Facil, Knoxville, TN 37831 USA.
EM kirkamm@ornl.gov
RI Dehoff, Ryan/I-6735-2016; Okello, Alfred/E-8367-2017
OI Dehoff, Ryan/0000-0001-9456-9633; Okello, Alfred/0000-0002-2085-0905
FU US Department of Energy, Office of Energy Efficiency and Renewable
Energy, Advanced Manufacturing Office under UT-Battelle, LLC
[DE-AC05-00OR22725]
FX This research sponsored by the US Department of Energy, Office of Energy
Efficiency and Renewable Energy, Advanced Manufacturing Office, under
contract DE-AC05-00OR22725 with UT-Battelle, LLC.
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PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0921-5093
EI 1873-4936
J9 MAT SCI ENG A-STRUCT
JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process.
PD JAN 5
PY 2017
VL 680
BP 338
EP 346
DI 10.1016/j.msea.2016.10.069
PG 9
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Metallurgy & Metallurgical Engineering
SC Science & Technology - Other Topics; Materials Science; Metallurgy &
Metallurgical Engineering
GA EF7FN
UT WOS:000390495600040
ER
PT J
AU Schwarm, SC
Kolli, RP
Aydogan, E
Mburu, S
Ankem, S
AF Schwarm, Samuel C.
Kolli, R. Prakash
Aydogan, Eda
Mburu, Sarah
Ankem, Sreeramamurthy
TI Characterization of phase properties and deformation in
ferritic-austenitic duplex stainless steels by nanoindentation and
finite element method
SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES
MICROSTRUCTURE AND PROCESSING
LA English
DT Article
DE Steel; Micromechanics; EBSD; Nanoindentation; Finite element method
ID MICROPILLAR COMPRESSION; MECHANICAL-PROPERTIES; PLASTIC PROPERTIES;
FAILURE MODES; INDENTATION; PREDICTION; BEHAVIOR; EVOLUTION; DUCTILITY;
HARDNESS
AB The phase properties and deformation behavior of the delta-ferrite and gamma-austenite phases of CF-3 and CF-8 cast duplex stainless steels were characterized by nanoindentation and microstructure-based finite element method (FEM) models. The elastic modulus of each phase was evaluated and the results indicate that the mean elastic modulus of the delta-ferrite phase is greater than that of the gamma-austenite phase, and the mean nanoindentation hardness values of each phase are approximately the same. The elastic FEM model results illustrate that greater von Mises stresses are located within the delta-ferrite phase, while greater von Mises strains are located in the gamma-austenite phase in response to elastic deformation. The elastic moduli calculated by FEM agree closely with those measured by tensile testing. The plastically deformed specimens exhibit an increase in misorientation, deformed grains, and subgrain structure formation as measured by electron backscatter diffraction (EBSD).
C1 [Schwarm, Samuel C.; Kolli, R. Prakash; Mburu, Sarah; Ankem, Sreeramamurthy] Univ Maryland, Dept Mat Sci & Engn, 2144 Chem & Nucl Engn Bldg,090, College Pk, MD 20742 USA.
[Aydogan, Eda] Los Alamos Natl Lab, Div Mat Sci, MST 8, Los Alamos, NM 87545 USA.
RP Schwarm, SC (reprint author), Univ Maryland, Dept Mat Sci & Engn, 2144 Chem & Nucl Engn Bldg,090, College Pk, MD 20742 USA.
EM sschwarm@umd.edu
OI Kolli, Prakash/0000-0003-1345-1735
FU U.S. Department of Energy Nuclear Energy University Program (DOE-NEUP);
Department of Energy: Office of Nuclear Energy (DOE-NE) Integrated
University Program (IUP) fellowship program; National Science Foundation
(NSF) Louis Stokes Alliances for Minority Participation (LSAMP)
[0833018]
FX This work is funded by the U.S. Department of Energy Nuclear Energy
University Program (DOE-NEUP); technical monitor Dr. Jeremy T. Busby,
Oak Ridge National Laboratory; contract number DOE-NE0000724. Mr.
Schwarm would like to acknowledge the Department of Energy: Office of
Nuclear Energy (DOE-NE) Integrated University Program (IUP) fellowship
program for support. Ms. Sarah Mburu is partially supported by the
National Science Foundation (NSF) Louis Stokes Alliances for Minority
Participation (LSAMP) under Grant No. 0833018. The authors would like to
thank Dr. Daniel E. Perea at Pacific Northwest National Laboratory
(PNNL) and Dr. Stuart A. Maloy at Los Alamos National Laboratory (LANL)
for assistance and discussions. We would also like to thank Dr. Robert
Bonenberger and Dr. Aldo Ponce of the Modern Engineering Materials
Instructional Laboratory (MEMIL) at the University of Maryland for
access and assistance with the nanoindenter instrument and sample
preparation equipment.
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PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0921-5093
EI 1873-4936
J9 MAT SCI ENG A-STRUCT
JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process.
PD JAN 5
PY 2017
VL 680
BP 359
EP 367
DI 10.1016/j.msea.2016.10.116
PG 9
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Metallurgy & Metallurgical Engineering
SC Science & Technology - Other Topics; Materials Science; Metallurgy &
Metallurgical Engineering
GA EF7FN
UT WOS:000390495600043
ER
PT J
AU Paul, TC
Morshed, AKMM
Fox, EB
Khan, JA
AF Paul, Titan C.
Morshed, A. K. M. M.
Fox, Elise B.
Khan, Jamil A.
TI Enhanced thermophysical properties of NEILs as heat transfer fluids for
solar thermal applications
SO APPLIED THERMAL ENGINEERING
LA English
DT Article
DE Ionic liquids; Nanoparticle enhanced ionic liquids (NEILs); Rheological
behavior; Thermal conductivity; Heat capacity; Heat transfer fluid
ID IONIC LIQUIDS NEILS; NANOFLUIDS; CONDUCTIVITY; VISCOSITY; IMIDAZOLIUM;
SUSPENSIONS; COLLECTOR; CAPACITY; BEHAVIOR; DRIVEN
AB Thermophysical properties of base ionic liquids (ILs) and nanoparticle enhanced ionic liquids (NEILs) were measured experimentally. NEILs are formed by dispersing different wt% (0.5, 1.0, and 2.5) of Al2O3 nanoparticles in four base ILs. NEILs show enhanced thermal conductivity, viscosity, and heat capacity compared to the base ILs. NEILs show shear thinning behavior at all the measured temperatures and the enhancement of viscosity was predicted by the aggregation model with high aggregation factor. Maximum thermal conductivity enhancement was observed by similar to 11% for 2.5 wt% NEILs. The experimental effective thermal conductivity could not predicted by the aggregation model with the same aggregation factor. However, the theoretical model considering interfacial layer of the particle/liquid interface (with interfacial layer thickness 2 nm and interfacial layer thermal conductivity, k(lr) = 3k(BL)) could predict the effective thermal conductivity of NEILs. Heat capacity of NEILs shows much higher value compared to the base ILs and the theoretical model could not predict that enhancement. The strong interaction between the nanoparticles surface to ions of the ionic liquids was considered as the potential factor for those enhancements of thermophysical properties. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Paul, Titan C.; Khan, Jamil A.] Univ South Carolina, Dept Mech Engn, Columbia, SC 29208 USA.
[Morshed, A. K. M. M.] Bangladesh Univ Engn & Technol, Dept Mech Engn, Dhaka, Bangladesh.
[Fox, Elise B.] Savannah River Natl Lab, Aiken, SC USA.
RP Khan, JA (reprint author), Univ South Carolina, Dept Mech Engn, Columbia, SC 29208 USA.
EM khan@cec.sc.edu
FU Department of Energy (DOE) Solar Energy Technology Program; U.S.
Department of Energy [DEAC09-08SR22470]
FX The financial support for this research is from the Department of Energy
(DOE) Solar Energy Technology Program. The Savannah River National
Laboratory is operated by Savannah River Nuclear Solutions. This
document was prepared in conjunction with work accomplished under
Contract No. DEAC09-08SR22470 with the U.S. Department of Energy. The
author would like to thank Dr. Nirupam Aich of Dr. Navid Saleh group for
helping in DLS measurements and Dr. Fang Yang from Dr. Guiren Wang group
for helping in optical image.
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1359-4311
J9 APPL THERM ENG
JI Appl. Therm. Eng.
PD JAN 5
PY 2017
VL 110
BP 1
EP 9
DI 10.1016/j.applthermaleng.2016.08.004
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Mechanical; Mechanics
SC Thermodynamics; Energy & Fuels; Engineering; Mechanics
GA ED3VC
UT WOS:000388775600001
ER
PT J
AU Wang, ZQ
Denlinger, E
Michaleris, P
Stoica, AD
Ma, D
Beese, AM
AF Wang, Zhuqing
Denlinger, Erik
Michaleris, Panagiotis
Stoica, Alexandru D.
Ma, Dong
Beese, Allison M.
TI Residual stress mapping in Inconel 625 fabricated through additive
manufacturing: Method for neutron diffraction measurements to validate
thermomechanical model predictions
SO MATERIALS & DESIGN
LA English
DT Article
DE Additive manufacturing; Inconel 625; Residual stress; Neutron
diffraction; Thermomechanical modeling
ID STAINLESS-STEEL; MECHANICAL-PROPERTIES; TI-6AL-4V COMPONENTS;
METAL-DEPOSITION; CONTOUR METHOD; TRANSFORMATION; TEMPERATURE;
PARAMETERS; EVOLUTION; BEHAVIOR
AB The rapid solidification and subsequent thermal cycles that material is subjected to during additive manufacturing (AM) of a component result in a buildup of residual stresses, which lead to part distortion, and negatively impact the component's mechanical properties. We present a method for using neutron diffraction to validate thermomechanical models developed to predict the residual stresses in Inconel 625 walls fabricated by laserbased directed energy deposition. Residual stress calculations from neutron diffraction measurements depend strongly on the determination of stress-free lattice spacings. After measurement of stressed lattice spacings in Inconel 625 walls, reference samples were obtained by extracting thin slices from the walls and cutting combtype slits into these slices. Reference lattice spacings were measured in these slices, as well as equivalent slices that were also subjected to stress-relieving heat treatment. These heat treatments changed the reference lattice spacings, and therefore affected residual strain measurements. Further, this study shows the importance of using location-dependent reference lattice spacing, as during AM, the thermal history, and therefore elemental composition and stress-free lattice spacing, vary with position. Residual stresses measured by neutron diffraction along the build direction using comb-type reference samples without heat treatment were in good agreement with thermomechanical modeling predictions. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Wang, Zhuqing; Beese, Allison M.] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA.
[Denlinger, Erik; Michaleris, Panagiotis] Autodesk Inc, State Coll, PA 16803 USA.
[Stoica, Alexandru D.; Ma, Dong] Oak Ridge Natl Lab, Neutron Sci Directorate, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA.
RP Beese, AM (reprint author), Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA.
EM beese@matse.psu.edu
RI Ma, Dong/G-5198-2011
OI Ma, Dong/0000-0003-3154-2454
FU National Science Foundation [CMMI-1402978]; Oak Ridge Associated
Universities Ralph E. Powe Junior Faculty Enhancement Award; Scientific
User Facilities Division, Office of Basic Energy Sciences, U.S.
Department of Energy
FX The authors gratefully acknowledge the financial support of the National
Science Foundation through award number CMMI-1402978. Any opinions,
findings, and conclusions or recommendations expressed in this material
are those of the authors and do not necessarily reflect the views of the
National Science Foundation. In addition, AMB acknowledges funding from
the Oak Ridge Associated Universities Ralph E. Powe Junior Faculty
Enhancement Award. The IN625 samples made by AM were fabricated at the
Center for Innovative Materials Processing through Direct Digital
Deposition (CIMP-3D). A portion of this research at ORNL's Spallation
Neutron Source was sponsored by the Scientific User Facilities Division,
Office of Basic Energy Sciences, U.S. Department of Energy. We thank
Matthew Frost and Harley Skorpenske of ORNL for their technical support
at the VULCAN beamline.
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0264-1275
EI 1873-4197
J9 MATER DESIGN
JI Mater. Des.
PD JAN 5
PY 2017
VL 113
BP 169
EP 177
DI 10.1016/j.matdes.2016.10.003
PG 9
WC Materials Science, Multidisciplinary
SC Materials Science
GA ED8TC
UT WOS:000389142800020
ER
PT J
AU Bertoli, US
Wolfer, AJ
Matthews, MJ
Delplanque, JPR
Schoenung, JM
AF Bertoli, Umberto Scipioni
Wolfer, Alexander J.
Matthews, Manyalibo J.
Delplanque, Jean-Pierre R.
Schoenung, Julie M.
TI On the limitations of Volumetric Energy Density as a design parameter
for Selective Laser Melting
SO MATERIALS & DESIGN
LA English
DT Article
DE 316L stainless steel; Powder-bed fusion; Selective Laser Melting; Energy
density; Keyhole-mode laser melting
ID POWDER-BED FUSION; STAINLESS-STEEL PARTS; MECHANICAL-PROPERTIES;
SINGLE-TRACK; DENUDATION; QUALITY
AB Energy density is often used as a metric to compare components manufactured with Selective Laser Melting (SLM) under different sets of deposition parameters (e.g., laser power, scan speed, layer thickness, etc.). We present a brief review of the current literature on additive manufacturing of 316L stainless steel (SS) related to input parameter scaling relations. From previously published work we identified a range of Volumetric Energy Density (VED) values that should lead to deposition of fully dense parts. In order to corroborate these data, we designed a series of experiments to investigate the reliability of VED as a design parameter by comparing single tracks of 316L SS deposited with variable deposition parameters. Our results show the suitability of VED as a design parameter to describe SLM to be limited to a narrow band of applicability, which is attributed to the inability of this parameter to capture the complex physics of the melt pool. Caution should be exercised when using VED as a design parameter for SLM. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Bertoli, Umberto Scipioni; Schoenung, Julie M.] Univ Calif Irvine, Dept Chem Engn & Mat Sci, Irvine, CA 92697 USA.
[Wolfer, Alexander J.; Delplanque, Jean-Pierre R.] Univ Calif Davis, Dept Mech & Aerosp Engn, Davis, CA 95616 USA.
[Matthews, Manyalibo J.] Lawrence Livermore Natl Lab, Div Mat Sci, 7000 East Ave, Livermore, CA 94550 USA.
RP Schoenung, JM (reprint author), Univ Calif Irvine, Dept Chem Engn & Mat Sci, Irvine, CA 92697 USA.
EM Julie.Schoenung@UCI.edu
OI Delplanque, Jean-Pierre/0000-0003-1774-1641
FU Early Stage Innovations grant from NASA's Space Technology Research
Grants Program; LLNL LDRD [15-ERD-037]; U.S. Department of Energy by
Lawrence Livermore National Laboratory [DE-AC52-07NA27344]
FX This work is supported by an Early Stage Innovations grant from NASA's
Space Technology Research Grants Program and by LLNL LDRD grant
15-ERD-037, and performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under contract
DE-AC52-07NA27344.
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0264-1275
EI 1873-4197
J9 MATER DESIGN
JI Mater. Des.
PD JAN 5
PY 2017
VL 113
BP 331
EP 340
DI 10.1016/j.matdes.2016.10.037
PG 10
WC Materials Science, Multidisciplinary
SC Materials Science
GA ED8TC
UT WOS:000389142800039
ER
PT J
AU Gonis, A
AF Gonis, A.
TI Generalization of the variational principle and the Hohenberg and Kohn
theorems for excited states of Fermion systems
SO PHYSICS LETTERS A
LA English
DT Article
DE Excited states; Density functional theory; Variational theorem;
Hohenberg and Kohn theorems
ID DENSITY-FUNCTIONAL THEORY; FRACTIONALLY OCCUPIED STATES;
V-REPRESENTABILITY PROBLEM; POTENTIAL METHOD; SPIN-ORBITALS; ENSEMBLES;
ENERGY; APPROXIMATION; FORMULATION; EXTENSION
AB Through the entanglement of a collection of K non-interacting replicas of a system of N interacting Fermions, and making use of the properties of reduced density matrices the variational principle and the theorems of Hohenberg and Kohn are generalized to excited states. The generalization of the variational principle makes use of the natural orbitals of an N-particle density matrix describing the state of lowest energy of the entangled state. The extension of the theorems of Hohenberg and Kohn is based on the ground-state formulation of density functional theory but with a new interpretation of the concept of a ground state: It is the state of lowest energy of a system of KN Fermions that is described in terms of the excited states of the N-particle interacting system. This straightforward implementation of the line of reasoning of ground-state density functional theory to a new domain leads to a unique and logically valid extension of the theory to excited states that allows the systematic treatment of all states in the spectrum of the Hamiltonian of an interacting system. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Gonis, A.] Lawrence Livermore Natl Lab, Phys & Life Sci, POB 808,L-45, Livermore, CA 94551 USA.
RP Gonis, A (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci, POB 808,L-45, Livermore, CA 94551 USA.
EM gonis@comcast.net
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]
FX I am grateful to X.-G. Zhang, G.M. Stocks, M. Dane, Patrice Turchi and
D.M. Nicholson for many fruitful discussions. This work was performed
under the auspices of the U.S. Department of Energy by Lawrence
Livermore National Laboratory under Contract DE-AC52-07NA27344.
NR 41
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PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0375-9601
EI 1873-2429
J9 PHYS LETT A
JI Phys. Lett. A
PD JAN 5
PY 2017
VL 381
IS 1
BP 48
EP 52
DI 10.1016/j.physleta.2016.08.041
PG 5
WC Physics, Multidisciplinary
SC Physics
GA ED8EB
UT WOS:000389103700008
ER
PT J
AU Landa, A
Soderlind, P
AF Landa, A.
Soderlind, P.
TI First-principles phase stability at high temperatures and pressure in
Nb90Zr10 alloy
SO JOURNAL OF ALLOYS AND COMPOUNDS
LA English
DT Article
DE Transition metals; Phase stability; Alloys; Phonons; Density-functional
theory
ID ZR-NB ALLOYS; ELASTIC-CONSTANTS; MELTING-POINT; ZERO-TEMPERATURE;
ZIRCONIUM ALLOYS; BCC PHASE; NIOBIUM; METALS
AB The phase stability of Nb90Zr10 alloy at high temperatures and compression is explored by means of first principles electronic-structure calculations. Utilizing the self-consistent ab initio lattice dynamics (SCAILD) approach in conjunction with density-functional theory, we show that pressure-induced mechanical instability of the body-centered cubic phase, which results in formation of a rhombohedral phase at around 50 GPa, will prevail significant heating. The body-centered cubic structure will recover before melting at similar to 1800 K. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Landa, A.; Soderlind, P.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Div Phys, Livermore, CA 94551 USA.
RP Landa, A (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Div Phys, Livermore, CA 94551 USA.
EM landa1@llnl.gov
FU U.S. DOE by LLNL [DE-AC52-07NA27344]
FX This work performed under the auspices of the U.S. DOE by LLNL under
Contract DE-AC52-07NA27344.
NR 30
TC 0
Z9 0
U1 20
U2 20
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0925-8388
EI 1873-4669
J9 J ALLOY COMPD
JI J. Alloy. Compd.
PD JAN 5
PY 2017
VL 690
BP 647
EP 651
DI 10.1016/j.jallcom.2016.08.134
PG 5
WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy &
Metallurgical Engineering
SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering
GA DZ5KP
UT WOS:000385901300085
ER
PT J
AU Carbon, S
Dietze, H
Lewis, SE
Mungall, CJ
Munoz-Torres, MC
Basu, S
Chisholm, RL
Dodson, RJ
Fey, P
Thomas, PD
Mi, H
Muruganujan, A
Huang, X
Poudel, S
Hu, JC
Aleksander, SA
McIntosh, BK
Renfro, DP
Siegele, DA
Antonazzo, G
Attrill, H
Brown, NH
Marygold, SJ
McQuilton, P
Ponting, L
Millburn, GH
Rey, AJ
Stefancsik, R
Tweedie, S
Falls, K
Schroeder, AJ
Courtot, M
Osumi-Sutherland, D
Parkinson, H
Roncaglia, P
Lovering, RC
Foulger, RE
Huntley, RP
Denny, P
Campbell, NH
Kramarz, B
Patel, S
Buxton, JL
Umrao, Z
Deng, AT
Alrohaif, H
Mitchell, K
Ratnaraj, F
Omer, W
Rodriguez-Lopez, M
Chibucos, MC
Giglio, M
Nadendla, S
Duesbury, MJ
Koch, M
Meldal, BHM
Melidoni, A
Porras, P
Orchard, S
Shrivastava, A
Chang, HY
Finn, RD
Fraser, M
Mitchell, AL
Nuka, G
Potter, S
Rawlings, ND
Richardson, L
Sangrador-Vegas, A
Young, SY
Blake, JA
Christie, KR
Dolan, ME
Drabkin, HJ
Hill, DP
Ni, L
Sitnikov, D
Harris, MA
Hayles, J
Oliver, SG
Rutherford, K
Wood, V
Bahler, J
Lock, A
De Pons, J
Dwinell, M
Shimoyama, M
Laulederkind, S
Hayman, GT
Tutaj, M
Wang, SJ
D'Eustachio, P
Matthews, L
Balhoff, JP
Balakrishnan, R
Binkley, G
Cherry, JM
Costanzo, MC
Engel, SR
Miyasato, SR
Nash, RS
Simison, M
Skrzypek, MS
Weng, S
Wong, ED
Feuermann, M
Gaudet, P
Berardini, TZ
Li, D
Muller, B
Reiser, L
Huala, E
Argasinska, J
Arighi, C
Auchincloss, A
Axelsen, K
Argoud-Puy, G
Bateman, A
Bely, B
Blatter, MC
Bonilla, C
Bougueleret, L
Boutet, E
Breuza, L
Bridge, A
Britto, R
Hye-A-Bye, H
Casals, C
Cibrian-Uhalte, E
Coudert, E
Cusin, I
Duek-Roggli, P
Estreicher, A
Famiglietti, L
Gane, P
Garmiri, P
Georghiou, G
Gos, A
Gruaz-Gumowski, N
Hatton-Ellis, E
Hinz, U
Holmes, A
Hulo, C
Jungo, F
Keller, G
Laiho, K
Lemercier, P
Lieberherr, D
MacDougall, A
Magrane, M
Martin, MJ
Masson, P
Natale, DA
O'DonovanV, C
Pedruzzi, I
Pichler, K
Poggioli, D
Poux, S
Rivoire, C
Roechert, B
Sawford, T
Schneider, M
Speretta, E
Shypitsyna, A
Stutz, A
Sundaram, S
Tognolli, M
Wu, C
Xenarios, I
Yeh, LS
Chan, J
Gao, S
Howe, K
Kishore, R
Lee, R
Li, Y
Lomax, J
Muller, HM
Raciti, D
Van Auken, K
Berriman, M
Stein, L
Kersey, P
Sternberg, PW
Howe, D
Westerfield, M
AF Carbon, S.
Dietze, H.
Lewis, S. E.
Mungall, C. J.
Munoz-Torres, M. C.
Basu, S.
Chisholm, R. L.
Dodson, R. J.
Fey, P.
Thomas, P. D.
Mi, H.
Muruganujan, A.
Huang, X.
Poudel, S.
Hu, J. C.
Aleksander, S. A.
McIntosh, B. K.
Renfro, D. P.
Siegele, D. A.
Antonazzo, G.
Attrill, H.
Brown, N. H.
Marygold, S. J.
McQuilton, P.
Ponting, L.
Millburn, G. H.
Rey, A. J.
Stefancsik, R.
Tweedie, S.
Falls, K.
Schroeder, A. J.
Courtot, M.
Osumi-Sutherland, D.
Parkinson, H.
Roncaglia, P.
Lovering, R. C.
Foulger, R. E.
Huntley, R. P.
Denny, P.
Campbell, N. H.
Kramarz, B.
Patel, S.
Buxton, J. L.
Umrao, Z.
Deng, A. T.
Alrohaif, H.
Mitchell, K.
Ratnaraj, F.
Omer, W.
Rodriguez-Lopez, M.
Chibucos, M. C.
Giglio, M.
Nadendla, S.
Duesbury, M. J.
Koch, M.
Meldal, B. H. M.
Melidoni, A.
Porras, P.
Orchard, S.
Shrivastava, A.
Chang, H. Y.
Finn, R. D.
Fraser, M.
Mitchell, A. L.
Nuka, G.
Potter, S.
Rawlings, N. D.
Richardson, L.
Sangrador-Vegas, A.
Young, S. Y.
Blake, J. A.
Christie, K. R.
Dolan, M. E.
Drabkin, H. J.
Hill, D. P.
Ni, L.
Sitnikov, D.
Harris, M. A.
Hayles, J.
Oliver, S. G.
Rutherford, K.
Wood, V.
Bahler, J.
Lock, A.
De Pons, J.
Dwinell, M.
Shimoyama, M.
Laulederkind, S.
Hayman, G. T.
Tutaj, M.
Wang, S. -J.
D'Eustachio, P.
Matthews, L.
Balhoff, J. P.
Balakrishnan, R.
Binkley, G.
Cherry, J. M.
Costanzo, M. C.
Engel, S. R.
Miyasato, S. R.
Nash, R. S.
Simison, M.
Skrzypek, M. S.
Weng, S.
Wong, E. D.
Feuermann, M.
Gaudet, P.
Berardini, T. Z.
Li, D.
Muller, B.
Reiser, L.
Huala, E.
Argasinska, J.
Arighi, C.
Auchincloss, A.
Axelsen, K.
Argoud-Puy, G.
Bateman, A.
Bely, B.
Blatter, M. -C.
Bonilla, C.
Bougueleret, L.
Boutet, E.
Breuza, L.
Bridge, A.
Britto, R.
Hye-A-Bye, H.
Casals, C.
Cibrian-Uhalte, E.
Coudert, E.
Cusin, I.
Duek-Roggli, P.
Estreicher, A.
Famiglietti, L.
Gane, P.
Garmiri, P.
Georghiou, G.
Gos, A.
Gruaz-Gumowski, N.
Hatton-Ellis, E.
Hinz, U.
Holmes, A.
Hulo, C.
Jungo, F.
Keller, G.
Laiho, K.
Lemercier, P.
Lieberherr, D.
MacDougall, A.
Magrane, M.
Martin, M. J.
Masson, P.
Natale, D. A.
O'Donovan, C., V
Pedruzzi, I.
Pichler, K.
Poggioli, D.
Poux, S.
Rivoire, C.
Roechert, B.
Sawford, T.
Schneider, M.
Speretta, E.
Shypitsyna, A.
Stutz, A.
Sundaram, S.
Tognolli, M.
Wu, C.
Xenarios, I.
Yeh, L. -S.
Chan, J.
Gao, S.
Howe, K.
Kishore, R.
Lee, R.
Li, Y.
Lomax, J.
Muller, H. -M.
Raciti, D.
Van Auken, K.
Berriman, M.
Stein, L.
Kersey, Paul
Sternberg, P. W.
Howe, D.
Westerfield, M.
CA Gene Ontology Consortium
TI Expansion of the Gene Ontology knowledgebase and resources
SO NUCLEIC ACIDS RESEARCH
LA English
DT Article
ID ANNOTATIONS; ORTHOLOGS; DATABASE; COMPLEX; QUEST
AB The Gene Ontology (GO) is a comprehensive resource of computable knowledge regarding the functions of genes and gene products. As such, it is extensively used by the biomedical research community for the analysis of -omics and related data. Our continued focus is on improving the quality and utility of the GO resources, and we welcome and encourage input from researchers in all areas of biology. In this update, we summarize the current contents of the GO knowledgebase, and present several new features and improvements that have been made to the ontology, the annotations and the tools. Among the highlights are 1) developments that facilitate access to, and application of, the GO knowledgebase, and 2) extensions to the resource as well as increasing support for descriptions of causal models of biological systems and network biology. To learn more, visit http://geneontology.org/.
C1 [Carbon, S.; Dietze, H.; Lewis, S. E.; Mungall, C. J.; Munoz-Torres, M. C.] Lawrence Berkeley Natl Lab, Environm Genom & Syst Biol Div, Berkeley BioinformaticsOpen Source Projects BBOP, Berkeley, CA USA.
[Basu, S.; Chisholm, R. L.; Dodson, R. J.; Fey, P.] Northwestern Univ, dictyBase, Chicago, IL 60611 USA.
[Thomas, P. D.; Mi, H.; Muruganujan, A.; Huang, X.; Poudel, S.] Univ Southern Calif, Dept Prevent Med, Div Bioinformat, Los Angeles, CA 90089 USA.
[Hu, J. C.; Aleksander, S. A.; McIntosh, B. K.; Renfro, D. P.; Siegele, D. A.] Texas A&M Univ, Dept Biol, EcoliWiki, College Stn, TX 77843 USA.
[Carbon, S.; Thomas, P. D.; Mi, H.; Muruganujan, A.; Huang, X.; Poudel, S.; Hu, J. C.; Aleksander, S. A.; McIntosh, B. K.; Renfro, D. P.; Siegele, D. A.] Texas A&M Univ, Dept Biochem & Biophys, EcoliWiki, College Stn, TX 77843 USA.
[Antonazzo, G.; Attrill, H.; Brown, N. H.; Marygold, S. J.; McQuilton, P.; Ponting, L.; Millburn, G. H.; Rey, A. J.; Stefancsik, R.; Tweedie, S.] Univ Cambridge, Dept Physiol Dev & Neurosci, FlyBase, Cambridge, England.
[Falls, K.; Schroeder, A. J.] Harvard Univ, Biol Labs, FlyBase, Cambridge, MA 02138 USA.
[Courtot, M.; Osumi-Sutherland, D.; Parkinson, H.; Roncaglia, P.] GO EMBL EBI, Hinxton, England.
[Lovering, R. C.; Foulger, R. E.; Huntley, R. P.; Denny, P.; Campbell, N. H.; Kramarz, B.; Patel, S.; Buxton, J. L.; Umrao, Z.; Deng, A. T.; Alrohaif, H.; Mitchell, K.; Ratnaraj, F.; Omer, W.; Rodriguez-Lopez, M.] UCL, Ctr Cardiovasc Genet, London, England.
[Chibucos, M. C.; Giglio, M.; Nadendla, S.] Univ Maryland, Sch Med, Inst Genome Sci, Baltimore, MD 21201 USA.
[Duesbury, M. J.; Koch, M.; Meldal, B. H. M.; Melidoni, A.; Porras, P.; Orchard, S.; Shrivastava, A.] EMBL EBI, IntAct Complex Portal, Hinxton, England.
[Chang, H. Y.; Finn, R. D.; Fraser, M.; Mitchell, A. L.; Nuka, G.; Potter, S.; Rawlings, N. D.; Richardson, L.; Sangrador-Vegas, A.; Young, S. Y.] EMBL EBI, InterPro, Hinxton, England.
[Blake, J. A.; Christie, K. R.; Dolan, M. E.; Drabkin, H. J.; Hill, D. P.; Ni, L.; Sitnikov, D.] Jackson Lab, MGI, 600 Main St, Bar Harbor, ME 04609 USA.
[Harris, M. A.; Hayles, J.; Oliver, S. G.; Rutherford, K.; Wood, V.] Univ Cambridge, PomBase, Cambridge, England.
[Bahler, J.; Lock, A.] UCL, PomBase, London, England.
[De Pons, J.; Dwinell, M.; Shimoyama, M.; Laulederkind, S.; Hayman, G. T.; Tutaj, M.; Wang, S. -J.] Med Coll Wisconsin, RGD, Milwaukee, WI 53226 USA.
[D'Eustachio, P.; Matthews, L.] NYU Sch Med, Dept Biochem & Mol Pharmacol, Reactome, New York, NY USA.
[Balhoff, J. P.] RTI Int, Res Triangle Pk, NC USA.
[Sangrador-Vegas, A.; Balakrishnan, R.; Binkley, G.; Cherry, J. M.; Costanzo, M. C.; Engel, S. R.; Miyasato, S. R.; Nash, R. S.; Simison, M.; Skrzypek, M. S.; Weng, S.; Wong, E. D.] Stanford Univ, Dept Genet, SGD, Stanford, CA 94305 USA.
[Feuermann, M.; Gaudet, P.] SIB Swiss Inst Bioinformat, Geneva, Switzerland.
[Berardini, T. Z.; Li, D.; Muller, B.; Reiser, L.; Huala, E.] Phoenix Bioinformat, TAIR, Redwood City, CA USA.
[Argasinska, J.; Arighi, C.; Auchincloss, A.; Axelsen, K.; Argoud-Puy, G.; Bateman, A.; Bely, B.; Blatter, M. -C.; Bonilla, C.; Bougueleret, L.; Boutet, E.; Breuza, L.; Bridge, A.; Britto, R.; Hye-A-Bye, H.; Casals, C.; Cibrian-Uhalte, E.; Coudert, E.; Cusin, I.; Duek-Roggli, P.; Estreicher, A.; Famiglietti, L.; Gane, P.; Garmiri, P.; Georghiou, G.; Gos, A.; Gruaz-Gumowski, N.; Hatton-Ellis, E.; Hinz, U.; Holmes, A.; Hulo, C.; Jungo, F.; Keller, G.; Laiho, K.; Lemercier, P.; Lieberherr, D.; MacDougall, A.; Magrane, M.; Martin, M. J.; Masson, P.; Natale, D. A.; O'Donovan, C., V; Pedruzzi, I.; Pichler, K.; Poggioli, D.; Poux, S.; Rivoire, C.; Roechert, B.; Sawford, T.; Schneider, M.; Speretta, E.; Shypitsyna, A.; Stutz, A.; Sundaram, S.; Tognolli, M.; Wu, C.; Xenarios, I.; Yeh, L. -S.] UniProt EMBL EBI, Hinxton, England.
[Argasinska, J.; Arighi, C.; Auchincloss, A.; Axelsen, K.; Argoud-Puy, G.; Bateman, A.; Bely, B.; Blatter, M. -C.; Bonilla, C.; Bougueleret, L.; Boutet, E.; Breuza, L.; Bridge, A.; Britto, R.; Hye-A-Bye, H.; Casals, C.; Cibrian-Uhalte, E.; Coudert, E.; Cusin, I.; Duek-Roggli, P.; Estreicher, A.; Famiglietti, L.; Gane, P.; Garmiri, P.; Georghiou, G.; Gos, A.; Gruaz-Gumowski, N.; Hatton-Ellis, E.; Hinz, U.; Holmes, A.; Hulo, C.; Jungo, F.; Keller, G.; Laiho, K.; Lemercier, P.; Lieberherr, D.; MacDougall, A.; Magrane, M.; Martin, M. J.; Masson, P.; Natale, D. A.; O'Donovan, C., V; Pedruzzi, I.; Pichler, K.; Poggioli, D.; Poux, S.; Rivoire, C.; Roechert, B.; Sawford, T.; Schneider, M.; Speretta, E.; Shypitsyna, A.; Stutz, A.; Sundaram, S.; Tognolli, M.; Wu, C.; Xenarios, I.; Yeh, L. -S.] SIB Swiss Inst Bioinformat SIB, Geneva, Switzerland.
[Argasinska, J.; Arighi, C.; Auchincloss, A.; Axelsen, K.; Argoud-Puy, G.; Bateman, A.; Bely, B.; Blatter, M. -C.; Bonilla, C.; Bougueleret, L.; Boutet, E.; Breuza, L.; Bridge, A.; Britto, R.; Hye-A-Bye, H.; Casals, C.; Cibrian-Uhalte, E.; Coudert, E.; Cusin, I.; Duek-Roggli, P.; Estreicher, A.; Famiglietti, L.; Gane, P.; Garmiri, P.; Georghiou, G.; Gos, A.; Gruaz-Gumowski, N.; Hatton-Ellis, E.; Hinz, U.; Holmes, A.; Hulo, C.; Jungo, F.; Keller, G.; Laiho, K.; Lemercier, P.; Lieberherr, D.; MacDougall, A.; Magrane, M.; Martin, M. J.; Masson, P.; Natale, D. A.; O'Donovan, C., V; Pedruzzi, I.; Pichler, K.; Poggioli, D.; Poux, S.; Rivoire, C.; Roechert, B.; Sawford, T.; Schneider, M.; Speretta, E.; Shypitsyna, A.; Stutz, A.; Sundaram, S.; Tognolli, M.; Wu, C.; Xenarios, I.; Yeh, L. -S.] Prot Informat Resource, Washington, DC USA.
[Argasinska, J.; Arighi, C.; Auchincloss, A.; Axelsen, K.; Argoud-Puy, G.; Bateman, A.; Bely, B.; Blatter, M. -C.; Bonilla, C.; Bougueleret, L.; Boutet, E.; Breuza, L.; Bridge, A.; Britto, R.; Hye-A-Bye, H.; Casals, C.; Cibrian-Uhalte, E.; Coudert, E.; Cusin, I.; Duek-Roggli, P.; Estreicher, A.; Famiglietti, L.; Gane, P.; Garmiri, P.; Georghiou, G.; Gos, A.; Gruaz-Gumowski, N.; Hatton-Ellis, E.; Hinz, U.; Holmes, A.; Hulo, C.; Jungo, F.; Keller, G.; Laiho, K.; Lemercier, P.; Lieberherr, D.; MacDougall, A.; Magrane, M.; Martin, M. J.; Masson, P.; Natale, D. A.; O'Donovan, C., V; Pedruzzi, I.; Pichler, K.; Poggioli, D.; Poux, S.; Rivoire, C.; Roechert, B.; Sawford, T.; Schneider, M.; Speretta, E.; Shypitsyna, A.; Stutz, A.; Sundaram, S.; Tognolli, M.; Wu, C.; Xenarios, I.; Yeh, L. -S.] Prot Informat Resource, Newark, DE USA.
[Chan, J.; Gao, S.; Howe, K.; Kishore, R.; Lee, R.; Li, Y.; Lomax, J.; Muller, H. -M.; Raciti, D.; Van Auken, K.; Berriman, M.; Stein, L.; Kersey, Paul; Sternberg, P. W.] CALTECH, WormBase, Pasadena, CA 91125 USA.
[Chan, J.; Gao, S.; Howe, K.; Kishore, R.; Lee, R.; Li, Y.; Lomax, J.; Muller, H. -M.; Raciti, D.; Van Auken, K.; Berriman, M.; Stein, L.; Kersey, Paul; Sternberg, P. W.] Wellcome Trust Sanger Inst, Hinxton, England.
[Chan, J.; Gao, S.; Howe, K.; Kishore, R.; Lee, R.; Li, Y.; Lomax, J.; Muller, H. -M.; Raciti, D.; Van Auken, K.; Berriman, M.; Stein, L.; Kersey, Paul; Sternberg, P. W.] Ontario Inst Canc Res, Toronto, ON, Canada.
[Howe, D.; Westerfield, M.] Univ Oregon, ZFIN, Eugene, OR 97403 USA.
RP Thomas, PD (reprint author), Univ Southern Calif, Dept Prevent Med, Div Bioinformat, Los Angeles, CA 90089 USA.
EM pdthomas@usc.edu
OI Balhoff, James/0000-0002-8688-6599; Chibucos, Marcus/0000-0001-9586-0780
FU National Institutes of Health/National Human Genome Research Institute
[HG002273]
FX National Institutes of Health/National Human Genome Research Institute
[HG002273] awarded to the PI group formed by (alphabetically) Judith A.
Blake, J. Michael Cherry, Suzanna E. Lewis, Paul W. Sternberg and Paul
D. Thomas, as well as additional funding awarded to each participating
institution. For more details please visit:
http://geneontology.org/page/go-consortium-contributors-list. Funding
for open access charge: National Institutes of Health/National Human
Genome Research Institute [HG002273].
NR 21
TC 0
Z9 0
U1 0
U2 0
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0305-1048
EI 1362-4962
J9 NUCLEIC ACIDS RES
JI Nucleic Acids Res.
PD JAN 4
PY 2017
VL 45
IS D1
BP D331
EP D338
DI 10.1093/nar/gkw1108
PG 8
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EO3DQ
UT WOS:000396575500049
ER
PT J
AU Chen, IMA
Markowitz, VM
Chu, K
Palaniappan, K
Szeto, E
Pillay, M
Ratner, A
Huang, JH
Andersen, E
Huntemann, M
Varghese, N
Hadjithomas, M
Tennessen, K
Nielsen, T
Ivanova, NN
Kyrpides, NC
AF Chen, I-Min A.
Markowitz, Victor M.
Chu, Ken
Palaniappan, Krishna
Szeto, Ernest
Pillay, Manoj
Ratner, Anna
Huang, Jinghua
Andersen, Evan
Huntemann, Marcel
Varghese, Neha
Hadjithomas, Michalis
Tennessen, Kristin
Nielsen, Torben
Ivanova, Natalia N.
Kyrpides, Nikos C.
TI IMG/M: integrated genome and metagenome comparative data analysis system
SO NUCLEIC ACIDS RESEARCH
LA English
DT Article
ID ANNOTATION; GENE; RECOGNITION
AB The Integrated Microbial Genomes with Microbiome Samples (IMG/M: https://img.jgi.doe.gov/m/) system contains annotated DNA and RNA sequence data of (i) archaeal, bacterial, eukaryotic and viral genomes from cultured organisms, (ii) single cell genomes (SCG) and genomes from metagenomes (GFM) from uncultured archaea, bacteria and viruses and (iii) metagenomes from environmental, host associated and engineered microbiome samples. Sequence data are generated by DOE's Joint Genome Institute (JGI), submitted by individual scientists, or collected from public sequence data archives. Structural and functional annotation is carried out by JGI's genome and metagenome annotation pipelines. A variety of analytical and visualization tools provide support for examining and comparing IMG/M's datasets. IMG/M allows open access interactive analysis of publicly available datasets, while manual curation, submission and access to private datasets and computationally intensive workspace-based analysis require login/password access to its expert review(ER) companion system (IMG/M ER: https://img.jgi.doe.gov/mer/). Since the last report published in the 2014 NAR Database Issue, IMG/M's dataset content has tripled in terms of number of datasets and overall protein coding genes, while its analysis tools have been extended to cope with the rapid growth in the number and size of datasets handled by the system.
C1 [Chen, I-Min A.; Markowitz, Victor M.; Chu, Ken; Palaniappan, Krishna; Szeto, Ernest; Pillay, Manoj; Ratner, Anna; Huang, Jinghua; Andersen, Evan] Lawrence Berkeley Natl Lab, Dept Computat Sci, Biosci Comp Grp, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Huntemann, Marcel; Varghese, Neha; Hadjithomas, Michalis; Tennessen, Kristin; Nielsen, Torben; Ivanova, Natalia N.; Kyrpides, Nikos C.] Dept Energy Joint Genome Inst, Microbial Genome & Metagenome Program, 2800 Mitchell Dr, Walnut Creek, CA 94598 USA.
RP Chen, IMA (reprint author), Lawrence Berkeley Natl Lab, Dept Computat Sci, Biosci Comp Grp, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM IMAChen@lbl.gov; nckyrpides@lbl.gov
FU US Department of Energy [DE-AC02-05CH11231]; National Energy Research
Scientific Computing Center-Office of Science of the US Department of
Energy; US National Institutes of Health Data Analysis and Coordination
Center [U01-HG004866]; Joint Genome Institute; Lawrence Berkeley
National Laboratory
FX Director, Office of Science, Office of Biological and Environmental
Research, Life Sciences Division, US Department of Energy
[DE-AC02-05CH11231]; National Energy Research Scientific Computing
Center, which is supported by the Office of Science of the US Department
of Energy [DE-AC02-05CH11231]; US National Institutes of Health Data
Analysis and Coordination Center [U01-HG004866 to IMG/M-HMP]. Funding
for open access charge: Joint Genome Institute and Lawrence Berkeley
National Laboratory.
NR 40
TC 0
Z9 0
U1 1
U2 1
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0305-1048
EI 1362-4962
J9 NUCLEIC ACIDS RES
JI Nucleic Acids Res.
PD JAN 4
PY 2017
VL 45
IS D1
BP D507
EP D516
DI 10.1093/nar/gkw929
PG 10
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EO3DQ
UT WOS:000396575500072
PM 27738135
ER
PT J
AU Hadjithomas, M
Chen, IMA
Chu, K
Huang, J
Ratner, A
Palaniappan, K
Andersen, E
Markowitz, V
Kyrpides, NC
Ivanova, NN
AF Hadjithomas, Michalis
Chen, I-Min A.
Chu, Ken
Huang, Jinghua
Ratner, Anna
Palaniappan, Krishna
Andersen, Evan
Markowitz, Victor
Kyrpides, Nikos C.
Ivanova, Natalia N.
TI IMG-ABC: new features for bacterial secondary metabolism analysis and
targeted biosynthetic gene cluster discovery in thousands of microbial
genomes
SO NUCLEIC ACIDS RESEARCH
LA English
DT Article
ID PSEUDOMONAS-FLUORESCENS; 2,4-DIACETYLPHLOROGLUCINOL; DATABASE
AB Secondary metabolites produced by microbes have diverse biological functions, which makes them a great potential source of biotechnologically relevant compounds with antimicrobial, anti-cancer and other activities. The proteins needed to synthesize these natural products are often encoded by clusters of co-located genes called biosynthetic gene clusters (BCs). In order to advance the exploration of microbial secondary metabolism, we developed the largest publically available database of experimentally verified and predicted BCs, the Integrated Microbial Genomes Atlas of Biosynthetic gene Clusters (IMG-ABC) (https://img.jgi.doe.gov/abc/). Here, we describe an update of IMG-ABC, which includes ClusterScout, a tool for targeted identification of custom biosynthetic gene clusters across 40 000 isolate microbial genomes, and a new search capability to query more than 700 000 BCs from isolate genomes for clusters with similar Pfam composition. Additional features enable fast exploration and analysis of BCs through two new interactive visualization features, a BC function heatmap and a BC similarity network graph. These new tools and features add to the value of IMG-ABC's vast body of BC data, facilitating their in-depth analysis and accelerating secondary metabolite discovery.
C1 [Hadjithomas, Michalis; Kyrpides, Nikos C.; Ivanova, Natalia N.] Joint Genome Inst, Microbial Genome & Metagenome Program, Dept Energy, Walnut Creek, CA 94598 USA.
[Chen, I-Min A.; Chu, Ken; Huang, Jinghua; Ratner, Anna; Palaniappan, Krishna; Andersen, Evan; Markowitz, Victor] Lawrence Berkeley Natl Lab, Computat Res Div, Biosci Comp, Berkeley, CA 94720 USA.
RP Hadjithomas, M; Ivanova, NN (reprint author), Joint Genome Inst, Microbial Genome & Metagenome Program, Dept Energy, Walnut Creek, CA 94598 USA.
EM michalis@lbl.gov; nnivanova@lbl.gov
FU Office of Science, Office of Biological and Environmental Research, Life
Sciences Division, U.S. Department of Energy [DE- AC02-05CH11231];
National Energy Research Scientific Computing Center-Office of Science
of the U. S. Department of Energy [DE-AC02-05CH11231]; University of
California
FX The Director, Office of Science, Office of Biological and Environmental
Research, Life Sciences Division, U.S. Department of Energy [DE-
AC02-05CH11231]; National Energy Research Scientific Computing Center,
which is supported by the Office of Science of the U. S. Department of
Energy [DE-AC02-05CH11231]. Funding for open access charge: University
of California.
NR 25
TC 1
Z9 1
U1 1
U2 1
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0305-1048
EI 1362-4962
J9 NUCLEIC ACIDS RES
JI Nucleic Acids Res.
PD JAN 4
PY 2017
VL 45
IS D1
BP D560
EP D565
DI 10.1093/nar/gkw1103
PG 6
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EO3DQ
UT WOS:000396575500079
PM 27903896
ER
PT J
AU Kohler, S
Vasilevsky, NA
Engelstad, M
Foster, E
McMurry, J
Ayme, S
Baynam, G
Bello, SM
Boerkoel, CF
Boycott, KM
Brudno, M
Buske, OJ
Chinnery, PF
Cipriani, V
Connell, LE
Dawkins, HJS
DeMare, LE
Devereau, AD
de Vries, BBA
Firth, HV
Freson, K
Greene, D
Hamosh, A
Helbig, I
Hum, C
Jahn, JA
James, R
Krause, R
Laulederkind, SJF
Lochmuller, H
Lyon, GJ
Ogishima, S
Olry, A
Ouwehand, WH
Pontikos, N
Rath, A
Schaefer, F
Scott, RH
Segal, M
Sergouniotis, PI
Sever, R
Smith, CL
Straub, V
Thompson, R
Turner, C
Turro, E
Veltman, MWM
Vulliamy, T
Yu, J
von Ziegenweidt, J
Zankl, A
Zuchner, S
Zemojtel, T
Jacobsen, JOB
Groza, T
Smedley, D
Mungall, CJ
Haendel, M
Robinson, PN
AF Koehler, Sebastian
Vasilevsky, Nicole A.
Engelstad, Mark
Foster, Erin
McMurry, Julie
Ayme, Segolene
Baynam, Gareth
Bello, Susan M.
Boerkoel, Cornelius F.
Boycott, Kym M.
Brudno, Michael
Buske, Orion J.
Chinnery, Patrick F.
Cipriani, Valentina
Connell, Laureen E.
Dawkins, Hugh J. S.
DeMare, Laura E.
Devereau, Andrew D.
de Vries, Bert B. A.
Firth, Helen V.
Freson, Kathleen
Greene, Daniel
Hamosh, Ada
Helbig, Ingo
Hum, Courtney
Jahn, Johaenna A.
James, Roger
Krause, Roland
Laulederkind, Stanley J. F.
Lochmuller, Hanns
Lyon, Gholson J.
Ogishima, Soichi
Olry, Annie
Ouwehand, Willem H.
Pontikos, Nikolas
Rath, Ana
Schaefer, Franz
Scott, Richard H.
Segal, Michael
Sergouniotis, Panagiotis I.
Sever, Richard
Smith, Cynthia L.
Straub, Volker
Thompson, Rachel
Turner, Catherine
Turro, Ernest
Veltman, Marijcke W. M.
Vulliamy, Tom
Yu, Jing
von Ziegenweidt, Julie
Zankl, Andreas
Zuchner, Stephan
Zemojtel, Tomasz
Jacobsen, Julius O. B.
Groza, Tudor
Smedley, Damian
Mungall, Christopher J.
Haendel, Melissa
Robinson, Peter N.
TI The Human Phenotype Ontology in 2017
SO NUCLEIC ACIDS RESEARCH
LA English
DT Article
ID DISEASE-GENE-DISCOVERY; GENOME-WIDE ASSOCIATION; RARE-DISEASE;
DEVELOPMENTAL DISORDERS; PLATELET DISORDERS; MODEL ORGANISM; EPILEPTIC
ENCEPHALOPATHY; VARIANT PRIORITIZATION; MATCHMAKER EXCHANGE; CANDIDATE
GENES
AB Deep phenotyping has been defined as the precise and comprehensive analysis of phenotypic abnormalities in which the individual components of the phenotype are observed and described. The three components of the Human Phenotype Ontology (HPO; www.human-phenotype-ontology.org) project are the phenotype vocabulary, disease-phenotype annotations and the algorithms that operate on these. These components are being used for computational deep phenotyping and precision medicine as well as integration of clinical data into translational research. The HPO is being increasingly adopted as a standard for phenotypic abnormalities by diverse groups such as international rare disease organizations, registries, clinical labs, biomedical resources, and clinical software tools and will thereby contribute toward nascent efforts at global data exchange for identifying disease etiologies. This update article reviews the progress of the HPO project since the debut Nucleic Acids Research database article in 2014, including specific areas of expansion such as common (complex) disease, new algorithms for phenotype driven genomic discovery and diagnostics, integration of cross-species mapping efforts with the Mammalian Phenotype Ontology, an improved quality control pipeline, and the addition of patient-friendly terminology.
C1 [Koehler, Sebastian; Zemojtel, Tomasz] Charite, Inst Med Genet & Human Genet, Augustenburger Pl 1, D-13353 Berlin, Germany.
[Vasilevsky, Nicole A.; Engelstad, Mark; Foster, Erin; McMurry, Julie; Haendel, Melissa] Oregon Hlth & Sci Univ, Library & Dept Med Informat & Clin Epidemiol, Portland, OR 97239 USA.
[Ayme, Segolene] CNRS, Inst Cerveau & Moelle Epiniere ICM, UMR 7225,Inserm U1127,UPMC P6 UMR S 1127, Hop La Pitie Salpetriere, 47 Bd Hop, F-75013 Paris, France.
[Baynam, Gareth] Govt Western Australia, King Edward Mem Hosp Dept Hlth, Western Australian Register Dev Anomalies & Genet, Perth, WA 6008, Australia.
[Baynam, Gareth] Univ Western Australia, Sch Paediat & Child Hlth, Perth, WA 6008, Australia.
[Bello, Susan M.; Smith, Cynthia L.] Jackson Lab, 600 Main St, Bar Harbor, ME 04609 USA.
[Boerkoel, Cornelius F.] Sanford Hlth, Imagenet Res, POB 5039,Route 5001, Sioux Falls, SD 57117 USA.
[Boycott, Kym M.] Univ Ottawa, Childrens Hosp Eastern Ontario Res Inst, Ottawa, ON, Canada.
[Brudno, Michael; Buske, Orion J.] Univ Toronto, Dept Comp Sci, Toronto, ON M5S 2E4, Canada.
[Brudno, Michael; Buske, Orion J.] Hosp Sick Children, Ctr Computat Med, Toronto, ON M5G 1L7, Canada.
[Chinnery, Patrick F.] Univ Cambridge, Sch Clin Med, Dept Clin Neurosci, Cambridge CB2 0QQ, England.
[Chinnery, Patrick F.; James, Roger; Veltman, Marijcke W. M.] NIHR Rare Dis Translat Res Collaborat, Cambridge Biomed Campus, Cambridge CB2 0QQ, England.
[Cipriani, Valentina; Pontikos, Nikolas] UCL Inst Ophthalmol, Dept Ocular Biol & Therapeut, 11-43 Bath St, London EC1V 9EL, England.
[Cipriani, Valentina; Pontikos, Nikolas] UCL, UCL Genet Inst, London WC1E 6BT, England.
[Connell, Laureen E.; DeMare, Laura E.; Sever, Richard] Cold Spring Harbor Lab Press, Cold Spring Harbor, NY USA.
[Dawkins, Hugh J. S.] Hlth Dept Western Australia, Off Populat Hlth Genom, Publ Hlth Div, 189 Royal St, Perth, WA 6004, Australia.
[Devereau, Andrew D.; Scott, Richard H.; Jacobsen, Julius O. B.; Smedley, Damian] Queen Mary Univ London, Genom England, Dawson Hall,Charterhouse Sq, London EC1M 6BQ, England.
[de Vries, Bert B. A.] Radboud Univ Nijmegen, Univ Med Ctr, Dept Human Genet, Nijmegen, Netherlands.
[Firth, Helen V.] Wellcome Trust Sanger Inst, Wellcome Genome Campus, Cambridge CB10 1SA, England.
[Freson, Kathleen] Univ Leuven, Ctr Mol & Vasc Biol, Dept Cardiovasc Sci, Leuven, Belgium.
[Greene, Daniel; Ouwehand, Willem H.; Turro, Ernest; von Ziegenweidt, Julie] Univ Cambridge, Dept Haematol, NHS Blood & Transplant Ctr, Long Rd, Cambridge CB2 0PT, England.
[Greene, Daniel; James, Roger; Turro, Ernest] Cambridge Inst Publ Hlth, Med Res Council Biostat Unit, Cambridge Biomed Campus, Cambridge, England.
[Hamosh, Ada] Johns Hopkins Univ, Sch Med, Dept Pediat, McKusick Nathans Inst Genet Med, Baltimore, MD 21205 USA.
[Helbig, Ingo] Childrens Hosp Philadelphia, Div Neurol, 3501 Civ Ctr Blvd, Philadelphia, PA 19104 USA.
[Helbig, Ingo; Jahn, Johaenna A.] Univ Med Ctr Schleswig Holstein, Dept Neuropediat, Kiel, Germany.
[Hum, Courtney] Hosp Sick Children, Ctr Computat Med, Toronto, ON M5G 1H3, Canada.
[Krause, Roland] Univ Luxembourg, LuxembourgCtr Syst Biomed, Ave Hauts Fourneaux, L-4362 Luxembourg, Luxembourg.
[Laulederkind, Stanley J. F.] Med Coll Wisconsin, Human & Mol Genet Ctr, Milwaukee, WI 53226 USA.
[Lochmuller, Hanns; Straub, Volker; Thompson, Rachel; Turner, Catherine] Univ Newcastle, Inst Med Genet, MRC Ctr Neuromuscular Dis, John Walton Muscular Dystrophy Res Ctr, Newcastle Upon Tyne, Tyne & Wear, England.
[Lyon, Gholson J.] Cold Spring Harbor Lab, Stanley Inst Cognit Genom, New York, NY 11797 USA.
[Ogishima, Soichi] Tohoku Univ, Tohoku Med Megabank Org, Dept Bioclin Informat, Aoba Ku, Tohoku Med Megabank Org Bldg 7F Room 741,736,Seir, Sendai, Miyagi 9808573, Japan.
[Olry, Annie; Rath, Ana] Orphanet INSERM, US14, Plateforme Malad Rares, 96 Rue Didot, F-75014 Paris, France.
[Schaefer, Franz] Ctr Pediat & Adolescent Med, Div Pediat Nephrol, D-69120 Heidelberg, Germany.
[Schaefer, Franz] Ctr Pediat & Adolescent Med, KFH Childrens Kidney Ctr, D-69120 Heidelberg, Germany.
[Segal, Michael] SimulConsult Inc, 27 Crafts Rd, Chestnut Hill, MA 02467 USA.
[Sergouniotis, Panagiotis I.] Manchester Royal Eye Hosp, Manchester M13 9WL, Lancs, England.
[Sergouniotis, Panagiotis I.] Univ Manchester, Manchester M13 9WL, Lancs, England.
[Vulliamy, Tom] Queen Mary Univ London, Barts & London Sch Med & Dent, Blizard Inst, London E1 2AT, England.
[Yu, Jing] Univ Oxford, John Radcliffe Hosp, Nuffield Dept Clin Neurosci, Level 6,West Wing, Oxford OX3 9DU, England.
[Zankl, Andreas] Univ Sydney, Sydney Med Sch, Discipline Genet Med, Sydney, NSW, Australia.
[Zankl, Andreas] Sydney Childrens Hosp Network, Acad Dept Med Genet, Westmead, NSW, Australia.
[Zuchner, Stephan] Univ Miami, JD McDonald Dept Human Genet, Miami, FL 33136 USA.
[Zuchner, Stephan] Univ Miami, Hussman Inst Human Gen, Miami, FL 33136 USA.
[Groza, Tudor] Garvan Inst Med Res, Sydney, NSW 2010, Australia.
[Groza, Tudor] UNSW Australia, Fac Med, St Vincents Clin Sch, Sydney, NSW, Australia.
[Mungall, Christopher J.] Lawrence Berkeley Natl Lab, Environm Genom & Syst Biol Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Robinson, Peter N.] Jackson Lab Genom Med, 10 Discovery Dr, Farmington, CT 06032 USA.
[Robinson, Peter N.] Univ Connecticut, Inst Syst Genom, Farmington, CT 06032 USA.
RP Kohler, S (reprint author), Charite, Inst Med Genet & Human Genet, Augustenburger Pl 1, D-13353 Berlin, Germany.; Robinson, PN (reprint author), Jackson Lab Genom Med, 10 Discovery Dr, Farmington, CT 06032 USA.; Robinson, PN (reprint author), Univ Connecticut, Inst Syst Genom, Farmington, CT 06032 USA.
EM dr.sebastian.koehler@gmail.com; peter.robinson@jax.org
RI Cipriani, Valentina/A-8549-2012;
OI Cipriani, Valentina/0000-0002-0839-9955; McMurry,
Julie/0000-0002-9353-5498; Vasilevsky, Nicole/0000-0001-5208-3432
FU National Institutes of Health (NIH) Monarch Initiative [5R24OD011883];
U.S. Department of Energy [DE-AC02-05CH11231]; Bundesministerium fur
Bildung und Forschung (BMBF) [0313911]; Raine Clinician Research
Fellowship; European Union Seventh Framework Programme [FP7/2007-2013];
RD-Connect [305444]; National Institute for Health Research Biomedical
Research Centre at Moorfields Eye Hospital National Health Service
Foundation Trust; UCL Institute of Ophthalmology; German Research
Foundation [HE5415/3-1, HE5415/5-1, HE5415/6-1]; EuroEPINOMICS framework
of the European Science Foundation; German Ministry for Education and
Research [01DH12033]; National Library of Medicine [R44LM011585-02];
Dutch Organisation for Health Research and Development [912-12-109]; NIH
[R24OD011883]; E-RARE 2015 program, Hipbi-RD; Stanley Institute for
Cognitive Genomics at Cold Spring Harbor Laboratory; EURenOmics
[2012-305608]; NeurOmics [2012-305121]
FX National Institutes of Health (NIH) Monarch Initiative [NIH OD
#5R24OD011883]; E-RARE 2015 program, Hipbi-RD (harmonizing phenomics
information for a better interoperability in the RD field); Director,
Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy under [DE-AC02-05CH11231]; Bundesministerium fur
Bildung und Forschung (BMBF) [0313911]; Raine Clinician Research
Fellowship (to G.B.); Stanley Institute for Cognitive Genomics at Cold
Spring Harbor Laboratory (CSHL to G.J.L.); European Union Seventh
Framework Programme [FP7/2007-2013] supported RD-Connect [305444],
EURenOmics [2012-305608] and NeurOmics [2012-305121]; Fight for Sight
and Retinitis Pigmentosa Fighting Blindness (to N.P.); National
Institute for Health Research Biomedical Research Centre at Moorfields
Eye Hospital National Health Service Foundation Trust and UCL Institute
of Ophthalmology (UK) (to V.C.); University of Kiel, by a grant from the
German Research Foundation [HE5415/3-1 to I.H.] within the EuroEPINOMICS
framework of the European Science Foundation and grants of the German
Research Foundation [DFG, HE5415/5-1, HE5415/6-1], German Ministry for
Education and Research [01DH12033, MAR 10/012] and by the German chapter
of the International League against Epilepsy (DGfE); International
League Against Epilepsy (ILAE to I.H.) within the Epilepsiome initiative
of the ILAE Genetics Commission (www.channelopathist.net); National
Library of Medicine [R44 LM011585-02 to M.S.]. BBAdV is funded by the
Dutch Organisation for Health Research and Development (ZON-MW grants
912-12-109). Funding for open access charge: NIH [R24OD011883].
NR 103
TC 2
Z9 2
U1 1
U2 1
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0305-1048
EI 1362-4962
J9 NUCLEIC ACIDS RES
JI Nucleic Acids Res.
PD JAN 4
PY 2017
VL 45
IS D1
BP D865
EP D876
DI 10.1093/nar/gkw1039
PG 12
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EO3DQ
UT WOS:000396575500121
PM 27899602
ER
PT J
AU Lizio, M
Harshbarger, J
Abugessaisa, I
Noguchi, S
Kondo, A
Severin, J
Mungall, C
Arenillas, D
Mathelier, A
Medvedeva, YA
Lennartsson, A
Drablos, F
Ramilowski, JA
Rackham, O
Gough, J
Andersson, R
Sandelin, A
Ienasescu, H
Ono, H
Bono, H
Hayashizaki, Y
Carninci, P
Forrest, ARR
Kasukawa, T
Kawaji, H
AF Lizio, Marina
Harshbarger, Jayson
Abugessaisa, Imad
Noguchi, Shuei
Kondo, Atsushi
Severin, Jessica
Mungall, Chris
Arenillas, David
Mathelier, Anthony
Medvedeva, Yulia A.
Lennartsson, Andreas
Drablos, Finn
Ramilowski, Jordan A.
Rackham, Owen
Gough, Julian
Andersson, Robin
Sandelin, Albin
Ienasescu, Hans
Ono, Hiromasa
Bono, Hidemasa
Hayashizaki, Yoshihide
Carninci, Piero
Forrest, Alistair R. R.
Kasukawa, Takeya
Kawaji, Hideya
TI Update of the FANTOM web resource: high resolution transcriptome of
diverse cell types in mammals
SO NUCLEIC ACIDS RESEARCH
LA English
DT Article
ID UCSC GENOME BROWSER; FUNCTIONAL ANNOTATION; EXPRESSION ATLAS; DATABASE
2016; VISUALIZATION; ENHANCERS; NETWORK
AB Upon the first publication of the fifth iteration of the Functional Annotation of Mammalian Genomes collaborative project, FANTOM5, we gathered a series of primary data and database systems into the FANTOM web resource (http://fantom.gsc.riken.jp) to facilitate researchers to explore transcriptional regulation and cellular states. In the course of the collaboration, primary data and analysis results have been expanded, and functionalities of the database systems enhanced. We believe that our data and web systems are invaluable resources, and we think the scientific community will benefit for this recent update to deepen their understanding of mammalian cellular organization. We introduce the contents of FANTOM5 here, report recent updates in the web resource and provide future perspectives.
C1 [Lizio, Marina; Harshbarger, Jayson; Abugessaisa, Imad; Noguchi, Shuei; Kondo, Atsushi; Severin, Jessica; Ramilowski, Jordan A.; Carninci, Piero; Kasukawa, Takeya; Kawaji, Hideya] RIKEN, Ctr Life Sci Technol, DGT, Tsurumi Ku, 1-7-22 Suehiro Cho, Yokohama, Kanagawa 2300045, Japan.
[Mungall, Chris] Lawrence Berkeley Natl Lab, Genom Div, 84R01 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Arenillas, David] Univ British Columbia, BC Childrens Hosp Res, Ctr Mol Med & Therapeut, Dept Med Genet, 950 W 28th Ave, Vancouver, BC V5Z 4H4, Canada.
[Mathelier, Anthony] Univ Oslo, Ctr Mol Med Norway NCMM, Nord EMBL Partnership, N-0318 Oslo, Norway.
[Mathelier, Anthony] Oslo Univ Hosp, Inst Canc Res, Dept Canc Genet, N-0372 Oslo, Norway.
[Medvedeva, Yulia A.] Russian Acad Sci, Biotechnol Res Ctr, Inst Bioengn, Leninsky Prospect 33,Build 2, Moscow 119071, Russia.
[Medvedeva, Yulia A.] Russian Acad Sci, Vavilov Inst Gen Genet, Gubkina Str 3, Moscow 119991, Russia.
[Lennartsson, Andreas] Karolinska Inst, Dept Biosci & Nutr, Halsovagen 7-9, S-14183 Huddinge, Sweden.
[Drablos, Finn] Norwegian Univ Sci & Technol, Dept Canc Res & Mol Med, POB 8905, N-7491 Trondheim, Norway.
[Rackham, Owen] Dukes Natl Univ Singapore, Sch Med, Program Cardiovasc & Metab Disorders, 8 Coll Rd, Singapore 169857, Singapore.
[Gough, Julian] Univ Bristol, Dept Comp Sci, Merchant Venturers Bldg,Woodland Rd, Bristol BS8 1UB, Avon, England.
[Andersson, Robin] Univ Copenhagen, Bioinformat Ctr, Dept Biol, Sect Computat & RNA Biol, Ole Maaloes Vej 5, DK-2200 Copenhagen, Denmark.
[Sandelin, Albin; Ienasescu, Hans] Univ Copenhagen, Dept Biol, Sect Computat & RNA Biol, Ole Maaloes Vej 5, DK-2200 Copenhagen, Denmark.
[Sandelin, Albin; Ienasescu, Hans] Univ Copenhagen, Biotech Res & Innovat Ctr, Ole Maaloes Vej 5, DK-2200 Copenhagen, Denmark.
[Ono, Hiromasa; Bono, Hidemasa] Res Org Informat & Syst, Joint Support Ctr Data Sci Res, Database Ctr Life Sci DBCLS, 1111 Yata, Mishima, Shizuoka 4118540, Japan.
[Hayashizaki, Yoshihide; Kawaji, Hideya] RIKEN, Prevent Med & Diag Innovat Program, 2-1 Hirosawa, Wako, Saitama 3510198, Japan.
[Hayashizaki, Yoshihide; Kawaji, Hideya] RIKEN, Adv Ctr Comp & Commun, Prevent Med & Appl Genom Unit, Tsurumi Ku, Yokohama, Kanagawa 2300045, Japan.
[Forrest, Alistair R. R.] Harry Perkins Inst Med Res, Syst Biol & Genom, POB 7214,6 Verdun St, Perth, WA 6008, Australia.
RP Kasukawa, T; Kawaji, H (reprint author), RIKEN, Ctr Life Sci Technol, DGT, Tsurumi Ku, 1-7-22 Suehiro Cho, Yokohama, Kanagawa 2300045, Japan.; Kawaji, H (reprint author), RIKEN, Prevent Med & Diag Innovat Program, 2-1 Hirosawa, Wako, Saitama 3510198, Japan.; Kawaji, H (reprint author), RIKEN, Adv Ctr Comp & Commun, Prevent Med & Appl Genom Unit, Tsurumi Ku, Yokohama, Kanagawa 2300045, Japan.
EM takeya.kasukawa@riken.jp; kawaji@gsc.riken.jp
RI Andersson, Robin/B-5311-2009;
OI Andersson, Robin/0000-0003-1516-879X; Mathelier,
Anthony/0000-0001-5127-5459; Forrest, Alistair/0000-0003-4543-1675;
Bono, Hidemasa/0000-0003-4413-0651
FU RIKEN Omics Science Center from MEXT; MEXT, Japan; JSPS KAKENHI
[16H02902, 16K12529]; RFBR [14-04-00180]; RSF [14-15-30002]; Lundbeck
Foundation; Novo Nordisk Foundation; Elixir Denmark; MEXT
FX FANTOM5 was supported by the following grants: RIKEN Omics Science
Center from MEXT [to Y.H.]; Innovative Cell Biology by Innovative
Technology (Cell Innovation Program) from the MEXT, Japan [to YH]; MEXT
to the RIKEN Center for Life Science Technologies; RIKEN Preventive
Medicine and Diagnosis Innovation Program from MEXT [to Y.H.]; JSPS
KAKENHI Grants [16H02902, 16K12529 to H.K.]; the original version of
EpiFactors was developed with the support from RFBR [14-04-00180 to
Y.A.M.]; updates and current developments are supported by RSF
[14-15-30002 to Y.A.M.]; Lundbeck Foundation and the Novo Nordisk
Foundation, as well as Elixir Denmark [to A.S.]. Funding for open access
charge: MEXT to the RIKEN Center for Life Science Technologies.
NR 31
TC 1
Z9 1
U1 1
U2 1
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0305-1048
EI 1362-4962
J9 NUCLEIC ACIDS RES
JI Nucleic Acids Res.
PD JAN 4
PY 2017
VL 45
IS D1
BP D737
EP D743
DI 10.1093/nar/gkw995
PG 7
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EO3DQ
UT WOS:000396575500103
PM 27794045
ER
PT J
AU Mansueto, L
Fuentes, RR
Borja, FN
Detras, J
Abriol-Santos, JM
Chebotarov, D
Sanciangco, M
Palis, K
Copetti, D
Poliakov, A
Dubchak, I
Solovyev, V
Wing, RA
Hamilton, RS
Mauleon, R
McNally, KL
Alexandrov, N
AF Mansueto, Locedie
Rommel Fuentes, Roven
Nikki Borja, Frances
Detras, Jeffery
Miguel Abriol-Santos, Juan
Chebotarov, Dmytro
Sanciangco, Millicent
Palis, Kevin
Copetti, Dario
Poliakov, Alexandre
Dubchak, Inna
Solovyev, Victor
Wing, Rod A.
Sackville Hamilton, Ruaraidh
Mauleon, Ramil
McNally, Kenneth L.
Alexandrov, Nickolai
TI Rice SNP-seek database update: new SNPs, indels, and queries
SO NUCLEIC ACIDS RESEARCH
LA English
DT Article
ID ORYZA-SATIVA; GENOME; RESOURCES; SEQUENCE; GENES; ANNOTATION; NETWORK;
INDICA; AUS
AB We describe updates to the Rice SNP-Seek Database since its first release. We ran a new SNP-calling pipeline followed by filtering that resulted in complete, base, filtered and core SNP datasets. Besides the Nipponbare reference genome, the pipeline was run on genome assemblies of IR 64, 93-11, DJ 123 and Kasalath. New genotype query and display features are added for reference assemblies, SNP datasets and indels. JBrowse now displays BAM, VCF and other annotation tracks, the additional genome assemblies and an embedded VISTA genome comparison viewer. Middleware is redesigned for improved performance by using a hybrid of HDF5 and RDMS for genotype storage. Query modules for genotypes, varieties and genes are improved to handle various constraints. An integrated list manager allows the user to pass query parameters for further analysis. The SNP Annotator adds traits, ontology terms, effects and interactions to markers in a list. Web-service calls were implemented to access most data. These features enable seamless querying of SNP-Seek across various biological entities, a step toward semi-automated gene-trait association discovery.
C1 [Mansueto, Locedie; Rommel Fuentes, Roven; Nikki Borja, Frances; Detras, Jeffery; Miguel Abriol-Santos, Juan; Chebotarov, Dmytro; Sanciangco, Millicent; Palis, Kevin; Wing, Rod A.; Sackville Hamilton, Ruaraidh; Mauleon, Ramil; McNally, Kenneth L.; Alexandrov, Nickolai] Int Rice Res Inst, Coll, Los Banos 4031, Laguna, Philippines.
[Palis, Kevin] Boyce Thompson Inst Plant Res, Ithaca, NY 14853 USA.
[Copetti, Dario; Wing, Rod A.] Univ Arizona, Sch Plant Sci, Arizona Genom Inst, Tucson, AZ 85750 USA.
[Poliakov, Alexandre; Dubchak, Inna] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Poliakov, Alexandre; Dubchak, Inna] DOE Joint Genome Inst, Walnut Creek, CA 94598 USA.
[Solovyev, Victor] Softberry Inc, Mt Kisco, NY 10549 USA.
RP Alexandrov, N (reprint author), Int Rice Res Inst, Coll, Los Banos 4031, Laguna, Philippines.
EM n.alexandrov@irri.org
OI Solovyev, Victor/0000-0001-8885-493X
FU Global Rice Science Partnership (GRiSP); International Rice Informatics
Consortium; Cirad, Bayer Crop Sciences and Syngenta; Taiwan Government
Grant; IRRI; CGIAR Research Program CRP 3.3 (Global Rice Science
Partnership)
FX Global Rice Science Partnership (GRiSP); International Rice Informatics
Consortium (http:// iric. irri. org); Cirad, Bayer Crop Sciences and
Syngenta (to IRIC); Taiwan Government Grant (to IRRI). Funding for open
access charge: IRRI and the CGIAR Research Program CRP 3.3 (Global Rice
Science Partnership).
NR 27
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U1 1
U2 1
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0305-1048
EI 1362-4962
J9 NUCLEIC ACIDS RES
JI Nucleic Acids Res.
PD JAN 4
PY 2017
VL 45
IS D1
BP D1075
EP D1081
DI 10.1093/nar/gkw1135
PG 7
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EO3DQ
UT WOS:000396575500148
PM 27899667
ER
PT J
AU Mukherjee, S
Stamatis, D
Bertsch, J
Ovchinnikova, G
Verezemska, O
Isbandi, M
Thomas, AD
Ali, R
Sharma, K
Kyrpides, NC
Reddy, TBK
AF Mukherjee, Supratim
Stamatis, Dimitri
Bertsch, Jon
Ovchinnikova, Galina
Verezemska, Olena
Isbandi, Michelle
Thomas, Alex D.
Ali, Rida
Sharma, Kaushal
Kyrpides, Nikos C.
Reddy, T. B. K.
TI Genomes OnLine Database (GOLD) v.6: data updates and feature
enhancements
SO NUCLEIC ACIDS RESEARCH
LA English
DT Article
ID STANDARD OPERATING PROCEDURE; COMPARATIVE-ANALYSIS SYSTEM; MICROBIAL
DARK-MATTER; SINGLE-CELL GENOMICS; PROJECTS WORLD-WIDE; METAGENOMIC
PROJECTS; 4 VERSION; METADATA; BACTERIA; MONITOR
AB The Genomes Online Database (GOLD) (https://gold.jgi.doe.gov) is a manually curated data management system that catalogs sequencing projects with associated metadata from around the world. In the current version of GOLD (v.6), all projects are organized based on a four level classification system in the form of a Study, Organism (for isolates) or Biosample (for environmental samples), Sequencing Project and Analysis Project. Currently, GOLD provides information for 26 117 Studies, 239 100 Organisms, 15 887 Biosamples, 97 212 Sequencing Projects and 78 579 Analysis Projects. These are integrated with over 312 metadata fields from which 58 are controlled vocabularies with 2067 terms. The web interface facilitates submission of a diverse range of Sequencing Projects (such as isolate genome, single-cell genome, metagenome, metatranscriptome) and complex Analysis Projects (such as genome from metagenome, or combined assembly from multiple Sequencing Projects). GOLD provides a seamless interface with the Integrated Microbial Genomes (IMG) system and supports and promotes the Genomic Standards Consortium (GSC) Minimum Information standards. This paper describes the data updates and additional features added during the last two years.
C1 [Mukherjee, Supratim; Stamatis, Dimitri; Bertsch, Jon; Ovchinnikova, Galina; Verezemska, Olena; Isbandi, Michelle; Thomas, Alex D.; Ali, Rida; Sharma, Kaushal; Kyrpides, Nikos C.; Reddy, T. B. K.] DOE Joint Genome Inst, Prokaryot Super Program, Walnut Creek, CA 94598 USA.
[Kyrpides, Nikos C.] King Abdulaziz Univ, Dept Biol Sci, Fac Sci, Jeddah, Saudi Arabia.
[Thomas, Alex D.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA.
RP Kyrpides, NC; Reddy, TBK (reprint author), DOE Joint Genome Inst, Prokaryot Super Program, Walnut Creek, CA 94598 USA.; Kyrpides, NC (reprint author), King Abdulaziz Univ, Dept Biol Sci, Fac Sci, Jeddah, Saudi Arabia.
EM nckyrpides@lbl.gov; tbreddy@lbl.gov
FU US Department of Energy Joint Genome Institute, a DOE Office of Science
User Facility [DE-AC02-05CH11231]; Office of Science of the U.S.
Department of Energy [DE-AC02-05CH11231]
FX This work was conducted by the US Department of Energy Joint Genome
Institute, a DOE Office of Science User Facility, under contract number
DE-AC02-05CH11231. Funding for open access charge: Office of Science of
the U.S. Department of Energy [contract DE-AC02-05CH11231].
NR 48
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U1 1
U2 1
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0305-1048
EI 1362-4962
J9 NUCLEIC ACIDS RES
JI Nucleic Acids Res.
PD JAN 4
PY 2017
VL 45
IS D1
BP D446
EP D456
DI 10.1093/nar/gkw992
PG 11
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EO3DQ
UT WOS:000396575500065
PM 27794040
ER
PT J
AU Mungall, CJ
McMurry, JA
Kohler, S
Balhoff, JP
Borromeo, C
Brush, M
Carbon, S
Conlin, T
Dunn, N
Engelstad, M
Foster, E
Gourdine, JP
Jacobsen, JOB
Keith, D
Laraway, B
Lewis, SE
NguyenXuan, J
Shefchek, K
Vasilevsky, N
Yuan, Z
Washington, N
Hochheiser, H
Groza, T
Smedley, D
Robinson, PN
Haendel, MA
AF Mungall, Christopher J.
McMurry, Julie A.
Koehler, Sebastian
Balhoff, James P.
Borromeo, Charles
Brush, Matthew
Carbon, Seth
Conlin, Tom
Dunn, Nathan
Engelstad, Mark
Foster, Erin
Gourdine, J. P.
Jacobsen, Julius O. B.
Keith, Dan
Laraway, Bryan
Lewis, Suzanna E.
NguyenXuan, Jeremy
Shefchek, Kent
Vasilevsky, Nicole
Yuan, Zhou
Washington, Nicole
Hochheiser, Harry
Groza, Tudor
Smedley, Damian
Robinson, Peter N.
Haendel, Melissa A.
TI The Monarch Initiative: an integrative data and analytic platform
connecting phenotypes to genotypes across species
SO NUCLEIC ACIDS RESEARCH
LA English
DT Article
ID ANATOMY ONTOLOGIES; BIOMEDICAL DATA; MODEL ORGANISM; WEB SERVICES;
DISEASE; GENE; RESOURCE; BIOLOGY; ASSOCIATIONS; INFORMATION
AB The correlation of phenotypic outcomes with genetic variation and environmental factors is a core pursuit in biology and biomedicine. Numerous challenges impede our progress: patient phenotypes may not match known diseases, candidate variants may be in genes that have not been characterized, model organisms may not recapitulate human or veterinary diseases, filling evolutionary gaps is difficult, and many resources must be queried to find potentially significant genotype-phenotype associations. Non-human organisms have proven instrumental in revealing biological mechanisms. Advanced informatics tools can identify phenotypically relevant disease models in research and diagnostic contexts. Large-scale integration of model organism and clinical research data can provide a breadth of knowledge not available from individual sources and can provide contextualization of data back to these sources. The Monarch Initiative (monarchinitiative.org) is a collaborative, open science effort that aims to semantically integrate genotype-phenotype data from many species and sources in order to support precision medicine, disease modeling, and mechanistic exploration. Our integrated knowledge graph, analytic tools, and web services enable diverse users to explore relationships between phenotypes and genotypes across species.
C1 [Mungall, Christopher J.; Carbon, Seth; Dunn, Nathan; Lewis, Suzanna E.; NguyenXuan, Jeremy; Washington, Nicole] Lawrence Berkeley Natl Lab, Environm Genom & Syst Biol, Berkeley, CA 94720 USA.
[McMurry, Julie A.; Brush, Matthew; Conlin, Tom; Engelstad, Mark; Foster, Erin; Gourdine, J. P.; Keith, Dan; Laraway, Bryan; Shefchek, Kent; Vasilevsky, Nicole; Haendel, Melissa A.] Oregon Hlth & Sci Univ, Dept Med Informat & Clin Epidemiol, Portland, OR 97239 USA.
[McMurry, Julie A.; Brush, Matthew; Conlin, Tom; Engelstad, Mark; Foster, Erin; Gourdine, J. P.; Keith, Dan; Laraway, Bryan; Shefchek, Kent; Vasilevsky, Nicole; Haendel, Melissa A.] Oregon Hlth & Sci Univ, OHSU Lib, Portland, OR 97239 USA.
[Koehler, Sebastian; Robinson, Peter N.] Charite, Inst Med Genet & Human Genet, Augustenburger Pl 1, D-13353 Berlin, Germany.
[Balhoff, James P.] RTI Int, Res Triangle Pk, NC 27709 USA.
[Borromeo, Charles; Yuan, Zhou; Hochheiser, Harry] Univ Pittsburgh, Dept Biomed Informat, Pittsburgh, PA 15260 USA.
[Jacobsen, Julius O. B.; Smedley, Damian] Queen Mary Univ London, William Harvey Res Inst, Barts & London Sch Med & Dent, Charterhouse Sq, London EC1M 6BQ, England.
[Groza, Tudor] Garvan Inst Med Res, Kinghorn Ctr Clin Genom, Darlinghurst, NSW 2010, Australia.
[Robinson, Peter N.] Jackson Lab Genom Med, Farmington, CT 06032 USA.
RP Haendel, MA (reprint author), Oregon Hlth & Sci Univ, Dept Med Informat & Clin Epidemiol, Portland, OR 97239 USA.; Haendel, MA (reprint author), Oregon Hlth & Sci Univ, OHSU Lib, Portland, OR 97239 USA.
EM Haendel@ohsu.edu
OI Balhoff, James/0000-0002-8688-6599; McMurry, Julie/0000-0002-9353-5498;
Vasilevsky, Nicole/0000-0001-5208-3432
FU National Institutes of Health (NIH) [1R24OD011883]; Wellcome Trust
[098051]; NIH Undiagnosed Disease Program [HHSN268201300036C,
HHSN268201400093P]; Phenotype RCN [NSF-DEB-0956049]; NCI/Leidos [GA4GH,
15x143, BD2K U54HG007990-S2, BD2K PA-15-144-U01]; Office of Science,
Office of Basic Energy Sciences of the U.S. Department of Energy
[DE-AC02-05CH11231]; NIH [1R24OD011883]
FX National Institutes of Health (NIH) [1R24OD011883]; Wellcome Trust
[098051]; NIH Undiagnosed Disease Program [HHSN268201300036C,
HHSN268201400093P]; Phenotype RCN [NSF-DEB-0956049]; NCI/Leidos [15x143,
BD2K U54HG007990-S2 (Haussler; GA4GH), BD2K PA-15-144-U01 (Kesselman;
FaceBase)]; Office of Science, Office of Basic Energy Sciences of the
U.S. Department of Energy [DE-AC02-05CH11231 to J.N.Y., S.C., S.E.L. and
C.J.M.]. Funding for open access charge: NIH [1R24OD011883].
NR 62
TC 0
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U1 0
U2 0
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0305-1048
EI 1362-4962
J9 NUCLEIC ACIDS RES
JI Nucleic Acids Res.
PD JAN 4
PY 2017
VL 45
IS D1
BP D712
EP D722
DI 10.1093/nar/gkw1128
PG 11
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EO3DQ
UT WOS:000396575500100
PM 27899636
ER
PT J
AU Ong, E
Xiang, ZS
Zhao, B
Liu, Y
Lin, Y
Zheng, J
Mungall, C
Courtot, M
Ruttenberg, A
He, YQ
AF Ong, Edison
Xiang, Zuoshuang
Zhao, Bin
Liu, Yue
Lin, Yu
Zheng, Jie
Mungall, Chris
Courtot, Melanie
Ruttenberg, Alan
He, Yongqun
TI Ontobee: A linked ontology data server to support ontology term
dereferencing, linkage, query and integration
SO NUCLEIC ACIDS RESEARCH
LA English
DT Article
ID BIOLOGY; TOOL
AB Linked Data (LD) aims to achieve interconnected data by representing entities using Unified Resource Identifiers (URIs), and sharing information using Resource Description Frameworks (RDFs) and HTTP. Ontologies, which logically represent entities and relations in specific domains, are the basis of LD. Ontobee (http://www.ontobee.org/) is a linked ontology data server that stores ontology information using RDF triple store technology and supports query, visualization and linkage of ontology terms. Ontobee is also the default linked data server for publishing and browsing biomedical ontologies in the Open Biological Ontology (OBO) Foundry (http://obofoundry.org) library. Ontobee currently hosts more than 180 ontologies (including 131 OBO Foundry Library ontologies) with over four million terms. Ontobee provides a user-friendly web interface for querying and visualizing the details and hierarchy of a specific ontology term. Using the eXtensible Stylesheet Language Transformation (XSLT) technology, Ontobee is able to dereference a single ontology term URI, and then output RDF/eXtensible Markup Language (XML) for computer processing or display the HTML information on a web browser for human users. Statistics and detailed information are generated and displayed for each ontology listed in Ontobee. In addition, a SPARQL web interface is provided for custom advanced SPARQL queries of one or multiple ontologies.
C1 [Ong, Edison; Xiang, Zuoshuang; Zhao, Bin; Liu, Yue; Lin, Yu; He, Yongqun] Univ Michigan, Sch Med, Ann Arbor, MI 48109 USA.
[Zheng, Jie] Univ Penn, Perelman Sch Med, Philadelphia, PA 19104 USA.
[Mungall, Chris] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Courtot, Melanie] European Mol Biol Lab, European Bioinformat Inst, Cambridge CB10 1SD, England.
[Ruttenberg, Alan] Univ Buffalo, Buffalo, NY 14203 USA.
RP He, YQ (reprint author), Univ Michigan, Sch Med, Ann Arbor, MI 48109 USA.
EM yongqunh@umich.edu
FU USA National Institute of Allergy and Infectious Diseases (NIAID)
[R01AI081062]
FX USA National Institute of Allergy and Infectious Diseases (NIAID)
[R01AI081062]. Funding for open access charge: the discretionary fund
from Dr. Robert Dysko, the director of the Unit for Laboratory Animal
Medicine (ULAM) in the University of Michigan Medical School.
NR 12
TC 0
Z9 0
U1 1
U2 1
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0305-1048
EI 1362-4962
J9 NUCLEIC ACIDS RES
JI Nucleic Acids Res.
PD JAN 4
PY 2017
VL 45
IS D1
BP D347
EP D352
DI 10.1093/nar/gkw918
PG 6
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EO3DQ
UT WOS:000396575500051
PM 27733503
ER
PT J
AU Paez-Espino, D
Chen, IMA
Palaniappan, K
Ratner, A
Chu, K
Szeto, E
Pillay, M
Huang, JH
Markowitz, VM
Nielsen, T
Huntemann, M
Reddy, TBK
Pavlopoulos, GA
Sullivan, MB
Campbell, BJ
Chen, F
McMahon, K
Hallam, SJ
Denef, V
Cavicchioli, R
Caffrey, SM
Streit, WR
Webster, J
Handley, KM
Salekdeh, GH
Tsesmetzis, N
Setubal, JC
Pope, PB
Liu, WT
Rivers, AR
Ivanova, NN
Kyrpides, NC
AF Paez-Espino, David
Chen, I. -Min A.
Palaniappan, Krishna
Ratner, Anna
Chu, Ken
Szeto, Ernest
Pillay, Manoj
Huang, Jinghua
Markowitz, Victor M.
Nielsen, Torben
Huntemann, Marcel
Reddy, T. B. K.
Pavlopoulos, Georgios A.
Sullivan, Matthew B.
Campbell, Barbara J.
Chen, Feng
McMahon, Katherine
Hallam, Steve J.
Denef, Vincent
Cavicchioli, Ricardo
Caffrey, Sean M.
Streit, Wolfgang R.
Webster, John
Handley, Kim M.
Salekdeh, Ghasem H.
Tsesmetzis, Nicolas
Setubal, Joao C.
Pope, Phillip B.
Liu, Wen-Tso
Rivers, Adam R.
Ivanova, Natalia N.
Kyrpides, Nikos C.
TI IMG/VR: a database of cultured and uncultured DNA Viruses and
retroviruses
SO NUCLEIC ACIDS RESEARCH
LA English
DT Article
ID MARINE VIRUSES; PHAGE; CLASSIFICATION; COEVOLUTION; PROKARYOTES;
METADATA; PROJECTS; SYSTEM
AB Viruses represent the most abundant life forms on the planet. Recent experimental and computational improvements have led to a dramatic increase in the number of viral genome sequences identified primarily from metagenomic samples. As a result of the expanding catalog of metagenomic viral sequences, there exists a need for a comprehensive computational platform integrating all these sequences with associated metadata and analytical tools. Here we present IMG/VR (https://img.jgi.doe.gov/vr/), the largest publicly available database of 3908 isolate reference DNA viruses with 264 413 computationally identified viral contigs from >6000 ecologically diverse metagenomic samples. Approximately half of the viral contigs are grouped into genetically distinct quasi-species clusters. Microbial hosts are predicted for 20 000 viral sequences, revealing nine microbial phyla previously unreported to be infected by viruses. Viral sequences can be queried using a variety of associated metadata, including habitat type and geographic location of the samples, or taxonomic classification according to hallmark viral genes. IMG/VR has a user-friendly interface that allows users to interrogate all integrated data and interact by comparing with external sequences, thus serving as an essential resource in the viral genomics community.
C1 [Paez-Espino, David; Nielsen, Torben; Huntemann, Marcel; Reddy, T. B. K.; Pavlopoulos, Georgios A.; Rivers, Adam R.; Ivanova, Natalia N.; Kyrpides, Nikos C.] Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA.
[Chen, I. -Min A.; Palaniappan, Krishna; Ratner, Anna; Chu, Ken; Szeto, Ernest; Pillay, Manoj; Huang, Jinghua; Markowitz, Victor M.] Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Sullivan, Matthew B.] Ohio State Univ, Dept Microbiol, Columbus, OH 43210 USA.
[Sullivan, Matthew B.] Ohio State Univ, Dept Civil Environm & Geodet Engn, Columbus, OH 43210 USA.
[Campbell, Barbara J.] Clemson Univ, Dept Biol Sci, Clemson, SC 29634 USA.
[Chen, Feng] Univ Maryland, Inst Marine & Environm Technol, Ctr Environm Sci, Baltimore, MD 21202 USA.
[McMahon, Katherine] Univ Wisconsin, Dept Bacteriol, Dept Civil & Environm Engn, Madison, WI 53706 USA.
[Hallam, Steve J.] Univ British Columbia, Dept Microbiol & Immunol, Vancouver, BC V6T 1Z3, Canada.
[Hallam, Steve J.] Univ British Columbia, Genome Sci Technol & Program Bioinformat, Vancouver, BC V6T 1Z4, Canada.
[Hallam, Steve J.] Univ British Columbia, Peter Wall Inst Adv Studies, Vancouver, BC V6T 1Z2, Canada.
[Hallam, Steve J.] Univ British Columbia, ECOSCOPE Training Program, Vancouver, BC V6T 0A1, Canada.
[Denef, Vincent] Univ Michigan, Dept Ecol & Evolutionary Biol, Ann Arbor, MI 48109 USA.
[Cavicchioli, Ricardo; Webster, John] Univ New South Wales, Sch Biotechnol & Biomol Sci, Sydney, NSW 2052, Australia.
[Caffrey, Sean M.] Univ Calgary, Dept Biol Sci, Calgary, AB T2N 4V8, Canada.
[Streit, Wolfgang R.] Univ Hamburg, Dept Microbiol & Biotechnol, Bioctr Klein Flottbek, D-22609 Hamburg, Germany.
[Handley, Kim M.] Univ Auckland, Sch Biol Sci, Auckland 1010, New Zealand.
[Salekdeh, Ghasem H.] Agr Res Educ & Extens Org, Agr Biotechnol Res Inst Iran, Dept Syst Biol, Karaj 315351897, Iran.
[Tsesmetzis, Nicolas] Shell Int Explorat & Prod Inc, Houston, TX 77082 USA.
[Setubal, Joao C.] Univ Sao Paulo, Inst Chem, Dept Biochem, BR-05508000 Sao Paulo, SP, Brazil.
[Pope, Phillip B.] Norwegian Univ Life Sci, Dept Chem Biotechnol & Food Sci, N-1432 As, Norway.
[Liu, Wen-Tso] Univ Illinois, Dept Civil & Environm Engn, Urbana, IL 61801 USA.
RP Kyrpides, NC (reprint author), Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA.
EM nckyrpides@lbl.gov
FU US Department of Energy Joint Genome Institute, a DOE Office of Science
User Facility [DE-AC02-05CH11231]; National Energy Research Scientific
Computing Center; Office of Science of the US Department of Energy
FX This work was supported by the US Department of Energy Joint Genome
Institute, a DOE Office of Science User Facility, under contract number
DE-AC02-05CH11231 and used resources of the National Energy Research
Scientific Computing Center, supported by the Office of Science of the
US Department of Energy.
NR 32
TC 0
Z9 0
U1 3
U2 3
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0305-1048
EI 1362-4962
J9 NUCLEIC ACIDS RES
JI Nucleic Acids Res.
PD JAN 4
PY 2017
VL 45
IS D1
BP D457
EP D465
DI 10.1093/nar/gkw1030
PG 9
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EO3DQ
UT WOS:000396575500066
PM 27799466
ER
PT J
AU Petrov, AI
Kay, SJE
Kalvari, I
Howe, KL
Gray, KA
Bruford, EA
Kersey, PJ
Cochrane, G
Finn, RD
Bateman, A
Kozomara, A
Griffiths-Jones, S
Frankish, A
Zwieb, CW
Lau, BY
Williams, KP
Chan, PP
Lowe, TM
Cannone, JJ
Gutell, RR
Machnicka, MA
Bujnicki, JM
Yoshihama, M
Kenmochi, N
Chai, BL
Cole, JR
Szymanski, M
Karlowski, WM
Wood, V
Huala, E
Berardini, TZ
Zhao, Y
Chen, RS
Zhu, WM
Paraskevopoulou, MD
Vlachos, IS
Hatzigeorgiou, AG
Ma, LN
Zhang, Z
Puetz, J
Stadler, PF
McDonald, D
Basu, S
Fey, P
Engel, SR
Cherry, JM
Volders, PJ
Mestdagh, P
Wower, J
Clark, M
Quek, XC
Dinger, ME
AF Petrov, Anton I.
Kay, Simon J. E.
Kalvari, Ioanna
Howe, Kevin L.
Gray, Kristian A.
Bruford, Elspeth A.
Kersey, Paul J.
Cochrane, Guy
Finn, Robert D.
Bateman, Alex
Kozomara, Ana
Griffiths-Jones, Sam
Frankish, Adam
Zwieb, Christian W.
Lau, Britney Y.
Williams, Kelly P.
Chan, Patricia P.
Lowe, Todd M.
Cannone, Jamie J.
Gutell, Robin R.
Machnicka, Magdalena A.
Bujnicki, Janusz M.
Yoshihama, Maki
Kenmochi, Naoya
Chai, Benli
Cole, James R.
Szymanski, Maciej
Karlowski, Wojciech M.
Wood, Valerie
Huala, Eva
Berardini, Tanya Z.
Zhao, Yi
Chen, Runsheng
Zhu, Weimin
Paraskevopoulou, Maria D.
Vlachos, Ioannis S.
Hatzigeorgiou, Artemis G.
Ma, Lina
Zhang, Zhang
Puetz, Joern
Stadler, Peter F.
McDonald, Daniel
Basu, Siddhartha
Fey, Petra
Engel, Stacia R.
Cherry, J. Michael
Volders, Pieter-Jan
Mestdagh, Pieter
Wower, Jacek
Clark, Michael
Quek, Xiu Cheng
Dinger, Marcel E.
CA RNAcentral Consortium
SILVA Team
TI RNAcentral: a comprehensive database of non-coding RNA sequences
SO NUCLEIC ACIDS RESEARCH
LA English
DT Article
ID GENOME DATABASE; GENE DATABASE; MICRORNAS; RESOURCE; REVEALS; UPDATE;
TRANSCRIPTS; EXPRESSION; LANDSCAPE; TARGETS
AB RNAcentral is a database of non-coding RNA (ncRNA) sequences that aggregates data from specialised ncRNA resources and provides a single entry point for accessing ncRNA sequences of all ncRNA types from all organisms. Since its launch in 2014, RNAcentral has integrated twelve new resources, taking the total number of collaborating database to 22, and began importing new types of data, such as modified nucleotides from MODOMICS and PDB. We created new species-specific identifiers that refer to unique RNA sequences within a context of single species. The website has been subject to continuous improvements focusing on text and sequence similarity searches as well as genome browsing functionality. All RNAcentral data is provided for free and is available for browsing, bulk downloads, and programmatic access at http://rnacentral.org/.
C1 [Petrov, Anton I.; Kay, Simon J. E.; Kalvari, Ioanna; Howe, Kevin L.; Gray, Kristian A.; Bruford, Elspeth A.; Kersey, Paul J.; Cochrane, Guy; Finn, Robert D.; Bateman, Alex] EBI, EMBL, Wellcome Trust Genome Campus, Cambridge CB10 1SD, England.
[Kozomara, Ana; Griffiths-Jones, Sam] Univ Manchester, Fac Biol Med & Hlth, Oxford Rd, Manchester M13 9PT, Lancs, England.
[Frankish, Adam] Wellcome Trust Sanger Inst, Wellcome Trust Genome Campus, Hinxton CB10 1HH, Cambs, England.
[Zwieb, Christian W.] Univ Texas Hlth Sci Ctr San Antonio, Dept Biochem, 7703 Floyd Curl Dr, San Antonio, TX 78229 USA.
[Lau, Britney Y.; Williams, Kelly P.] Sandia Natl Labs, Livermore, CA 94551 USA.
[Chan, Patricia P.; Lowe, Todd M.] Univ Calif Santa Cruz, Dept Biomol Engn, Santa Cruz, CA 95064 USA.
[Cannone, Jamie J.; Gutell, Robin R.] Univ Texas Austin, Ctr Computat Biol & Bioinformat, Austin, TX 78712 USA.
[Machnicka, Magdalena A.; Bujnicki, Janusz M.] Int Inst Mol & Cell Biol, Lab Bioinformat & Prot Engn, Trojdena 4, PL-02109 Warsaw, Poland.
[Machnicka, Magdalena A.; Bujnicki, Janusz M.] Adam Mickiewicz Univ, Inst Mol Biol & Biotechnol, Fac Biol, Umultowska 89, PL-61614 Poznan, Poland.
[Yoshihama, Maki; Kenmochi, Naoya] Miyazaki Univ, Frontier Sci Res Ctr, Miyazaki, Japan.
[Chai, Benli; Cole, James R.] Michigan State Univ, E Lansing, MI 48824 USA.
[Szymanski, Maciej; Karlowski, Wojciech M.] Adam Mickiewicz Univ, Dept Computat Biol, Poznan, Poland.
[Wood, Valerie] Univ Cambridge, Cambridge Syst Biol Ctr, Sanger Bldg,80 Tennis Court Rd, Cambridge CB2 1GA, England.
[Wood, Valerie] Univ Cambridge, Dept Biochem, Sanger Bldg,80 Tennis Court Rd, Cambridge CB2 1GA, England.
[Huala, Eva; Berardini, Tanya Z.] Arabidopsis Informat Resource & Phoenix Bioinform, 643 Bair Isl Rd Suite 403, Redwood City, CA 94063 USA.
[Zhao, Yi; Chen, Runsheng] Chinese Acad Sci, Inst Comp Technol, Beijing 100190, Peoples R China.
[Zhao, Yi; Chen, Runsheng] Chinese Acad Sci, Inst Biophys, Beijing 100101, Peoples R China.
[Zhu, Weimin] Natl Ctr Prot Sci, Data Sci, Beijing, Peoples R China.
[Paraskevopoulou, Maria D.; Vlachos, Ioannis S.; Hatzigeorgiou, Artemis G.] Univ Thessaly, Dept Elect & Comp Engn, DIANA Lab, Volos 38221, Greece.
[Paraskevopoulou, Maria D.; Vlachos, Ioannis S.; Hatzigeorgiou, Artemis G.] Hellenic Pasteur Inst, 127 Vasilissis Sofias Ave, Athens 11521, Greece.
[Ma, Lina; Zhang, Zhang] Chinese Acad Sci, Beijing Inst Genom, BIG Data Ctr, Beijing 100101, Peoples R China.
[Ma, Lina; Zhang, Zhang] Chinese Acad Sci, Beijing Inst Genom, CAS Key Lab Genome Sci & Informat, Beijing 100101, Peoples R China.
[Puetz, Joern] Univ Strasbourg, 15 Rue R Descartes, F-67084 Strasbourg, France.
[Stadler, Peter F.] Univ Leipzig, Dept Comp Sci, Bioinformat Grp, D-04107 Leipzig, Germany.
[Stadler, Peter F.] Univ Leipzig, Interdisciplinary Ctr Bioinformat, D-04107 Leipzig, Germany.
[McDonald, Daniel] Univ Calif San Diego, Dept Pediat, La Jolla, CA 92093 USA.
[Basu, Siddhartha] Northwestern Univ, DictyBase, Chicago, IL 60611 USA.
[Engel, Stacia R.; Cherry, J. Michael] Stanford Univ, Dept Genet, Stanford, CA 94305 USA.
[Volders, Pieter-Jan; Mestdagh, Pieter] Univ Ghent, Ctr Med Genet, Ghent, Belgium.
[Volders, Pieter-Jan; Mestdagh, Pieter] Univ Ghent, Canc Res Inst Ghent, Ghent, Belgium.
[Wower, Jacek] Auburn Univ, Dept Anim Sci, Auburn, AL 36849 USA.
[Clark, Michael; Quek, Xiu Cheng; Dinger, Marcel E.] Garvan Inst Med Res, Sydney, NSW 2010, Australia.
[Clark, Michael] Univ Oxford, Dept Physiol Anat & Genet, MRC Funct Genom Unit, Oxford OX1 3PT, England.
[Machnicka, Magdalena A.] Univ Warsaw, Fac Math Informat & Mech MIM, Banacha 2, PL-02097 Warsaw, Poland.
RP Petrov, AI (reprint author), EBI, EMBL, Wellcome Trust Genome Campus, Cambridge CB10 1SD, England.
EM apetrov@ebi.ac.uk
FU Biotechnology and Biological Sciences Research Council (BBSRC)
[BB/J019232/1]; Research Councils UK (RCUK)
FX Biotechnology and Biological Sciences Research Council (BBSRC)
[BB/J019232/1]. Funding for open access charge: Research Councils UK
(RCUK).
NR 46
TC 0
Z9 0
U1 2
U2 2
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0305-1048
EI 1362-4962
J9 NUCLEIC ACIDS RES
JI Nucleic Acids Res.
PD JAN 4
PY 2017
VL 45
IS D1
BP D128
EP D134
DI 10.1093/nar/gkw1008
PG 7
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EO3DQ
UT WOS:000396575500020
ER
PT J
AU Wattam, AR
Davis, JJ
Assaf, R
Boisvert, S
Brettin, T
Bun, C
Conrad, N
Dietrich, EM
Disz, T
Gabbard, JL
Gerdes, S
Henry, CS
Kenyon, RW
Machi, D
Mao, C
Nordberg, EK
Olsen, GJ
Murphy-Olson, DE
Olson, R
Overbeek, R
Parrello, B
Pusch, GD
Shukla, M
Vonstein, V
Warren, A
Xia, FF
Yoo, H
Stevens, RL
AF Wattam, Alice R.
Davis, James J.
Assaf, Rida
Boisvert, Sebastien
Brettin, Thomas
Bun, Christopher
Conrad, Neal
Dietrich, Emily M.
Disz, Terry
Gabbard, Joseph L.
Gerdes, Svetlana
Henry, Christopher S.
Kenyon, Ronald W.
Machi, Dustin
Mao, Chunhong
Nordberg, Eric K.
Olsen, Gary J.
Murphy-Olson, Daniel E.
Olson, Robert
Overbeek, Ross
Parrello, Bruce
Pusch, Gordon D.
Shukla, Maulik
Vonstein, Veronika
Warren, Andrew
Xia, Fangfang
Yoo, Hyunseung
Stevens, Rick L.
TI Improvements to PATRIC, the all-bacterial Bioinformatics Database and
Analysis Resource Center
SO NUCLEIC ACIDS RESEARCH
LA English
DT Article
ID READ ALIGNMENT; GENOME; ANNOTATION; RAST; ASSEMBLIES; ALGORITHM;
ARCHIVE; VELVET; GENE
AB The Pathosystems Resource Integration Center (PATRIC) is the bacterial Bioinformatics Resource Center (https://www.patricbrc.org). Recent changes to PATRIC include a redesign of the web interface and some new services that provide users with a platform that takes them from raw reads to an integrated analysis experience. The redesigned interface allows researchers direct access to tools and data, and the emphasis has changed to user- created genome-groups, with detailed summaries and views of the data that researchers have selected. Perhaps the biggest change has been the enhanced capability for researchers to analyze their private data and compare it to the available public data. Researchers can assemble their raw sequence reads and annotate the contigs using RASTtk. PATRIC also provides services for RNA-Seq, variation, model reconstruction and differential expression analysis, all delivered through an updated private workspace. Private data can be compared by `virtual integration' to any of PATRIC's public data. The number of genomes available for comparison in PATRIC has expanded to over 80 000, with a special emphasis on genomes with antimicrobial resistance data. PATRIC uses this data to improve both subsystem annotation and k-mer classification, and tags new genomes as having signatures that indicate susceptibility or resistance to specific antibiotics.
C1 [Wattam, Alice R.; Kenyon, Ronald W.; Machi, Dustin; Mao, Chunhong; Nordberg, Eric K.; Warren, Andrew] Virginia Tech Univ, Biocomplex Inst, Blacksburg, VA 24060 USA.
[Davis, James J.; Brettin, Thomas; Conrad, Neal; Dietrich, Emily M.; Olson, Robert; Shukla, Maulik; Xia, Fangfang; Yoo, Hyunseung; Stevens, Rick L.] Univ Chicago, Computat Inst, Chicago, IL 60637 USA.
[Davis, James J.; Brettin, Thomas; Dietrich, Emily M.; Murphy-Olson, Daniel E.; Overbeek, Ross; Parrello, Bruce; Shukla, Maulik; Yoo, Hyunseung; Stevens, Rick L.] Argonne Natl Lab, Comp Environm & Life Sci, Argonne, IL 60439 USA.
[Assaf, Rida; Bun, Christopher; Stevens, Rick L.] Univ Chicago, Dept Comp Sci, Chicago, IL 60637 USA.
[Boisvert, Sebastien] Gydle Inc, 101-1332 Chanoine Morel Quebec, Quebec City QC G1S 4B4, PQ, Canada.
[Conrad, Neal; Henry, Christopher S.; Olson, Robert; Xia, Fangfang] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL USA.
[Disz, Terry; Gerdes, Svetlana; Parrello, Bruce; Pusch, Gordon D.; Vonstein, Veronika] Fellowship Interpretat Genomes, Burr Ridge, IL 60527 USA.
[Gabbard, Joseph L.] Virginia Tech, Grado Dept Ind Syst Engn, Blacksburg, VA 24060 USA.
[Olsen, Gary J.] Univ Illinois, Dept Microbiol, Urbana, IL 61801 USA.
RP Wattam, AR (reprint author), Virginia Tech Univ, Biocomplex Inst, Blacksburg, VA 24060 USA.
EM rwattam@vbi.vt.edu
FU National Institute of Allergy and Infectious Diseases, National
Institutes of Health, Department of Health and Human Services
[HHSN272201400027C]
FX PATRIC has been funded in whole or in part with Federal funds from the
National Institute of Allergy and Infectious Diseases, National
Institutes of Health, Department of Health and Human Services
[HHSN272201400027C]. Funding for open access charge: Federal funds from
the National Institute of Allergy and Infectious Diseases, National
Institutes of Health, Department of Health and Human Services
[HHSN272201400027C].
NR 47
TC 1
Z9 1
U1 0
U2 0
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0305-1048
EI 1362-4962
J9 NUCLEIC ACIDS RES
JI Nucleic Acids Res.
PD JAN 4
PY 2017
VL 45
IS D1
BP D535
EP D542
DI 10.1093/nar/gkw1017
PG 8
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EO3DQ
UT WOS:000396575500075
PM 27899627
ER
PT J
AU Gruenewald, JH
Kim, J
Kim, HS
Johnson, JM
Hwang, J
Souri, M
Terzic, J
Chang, SH
Said, A
Brill, JW
Cao, G
Kee, HY
Seo, SSA
AF Gruenewald, John H.
Kim, Jungho
Kim, Heung Sik
Johnson, Jared M.
Hwang, Jinwoo
Souri, Maryam
Terzic, Jasminka
Chang, Seo Hyoung
Said, Ayman
Brill, Joseph W.
Cao, Gang
Kee, Hae-Young
Seo, Sung S. Ambrose
TI Engineering 1D Quantum Stripes from Superlattices of 2D Layered
Materials
SO ADVANCED MATERIALS
LA English
DT Article
ID INSULATOR; PHASE; FILMS
AB Dimensional tunability from two dimensions to one dimension is demonstrated for the first time using an artificial superlattice method in synthesizing 1D stripes from 2D layered materials. The 1D confinement of layered Sr2IrO4 induces distinct 1D quantum-confined electronic states, as observed from optical spectroscopy and resonant inelastic X-ray scattering. This 1D superlattice approach is generalizable to a wide range of layered materials.
C1 [Gruenewald, John H.; Souri, Maryam; Terzic, Jasminka; Brill, Joseph W.; Cao, Gang; Seo, Sung S. Ambrose] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA.
[Kim, Jungho; Said, Ayman] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Kim, Heung Sik; Kee, Hae-Young] Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada.
[Johnson, Jared M.; Hwang, Jinwoo] Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43210 USA.
[Chang, Seo Hyoung] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
RP Seo, SSA (reprint author), Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA.
EM a.seo@uky.edu
RI HWANG, JINWOO/D-1760-2013
FU National Science Foundation (NSF) [DMR-1454200]; NSF [DMR-1262261];
NSERC of Canada; Center for Quantum Materials at the University of
Toronto; Canada Foundation for Innovation under Compute Canada;
Government of Ontario; Ontario Research Fund-Research Excellence;
University of Toronto; DOE Office of Science [DE-AC02-06CH11357]
FX The authors acknowledge the support of National Science Foundation (NSF)
grant DMR-1454200 for sample synthesis and characterizations. J.W.B
acknowledges the support of NSF grant DMR-1262261 for infrared
spectroscopy. Research at the University of Toronto was supported by the
NSERC of Canada and the Center for Quantum Materials at the University
of Toronto. Computations were mainly performed on the GPC supercomputer
at the SciNet HPC Consortium. SciNet was funded by the Canada Foundation
for Innovation under the auspices of Compute Canada; the Government of
Ontario; Ontario Research Fund-Research Excellence; and the University
of Toronto. This research used resources of the Advanced Photon Source,
a U.S. Department of Energy (DOE) Office of Science User Facility
operated for the DOE Office of Science by Argonne National Laboratory
under Contract No. DE-AC02-06CH11357.
NR 28
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U1 8
U2 8
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 0935-9648
EI 1521-4095
J9 ADV MATER
JI Adv. Mater.
PD JAN 4
PY 2017
VL 29
IS 1
AR 1603798
DI 10.1002/adma.201603798
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EI8BI
UT WOS:000392729000016
ER
PT J
AU D'Ambro, EL
Lee, BH
Liu, JM
Shilling, JE
Gaston, CJ
Lopez-Hilfiker, FD
Schobesberger, S
Zaveri, RA
Mohr, C
Lutz, A
Zhang, ZF
Gold, A
Surratt, JD
Rivera-Rios, JC
Keutsch, FN
Thornton, JA
AF D'Ambro, Emma L.
Lee, Ben H.
Liu, Jiumeng
Shilling, John E.
Gaston, Cassandra J.
Lopez-Hilfiker, Felipe D.
Schobesberger, Siegfried
Zaveri, Rahul A.
Mohr, Claudia
Lutz, Anna
Zhang, Zhenfa
Gold, Avram
Surratt, Jason D.
Rivera-Rios, Jean C.
Keutsch, Frank N.
Thornton, Joel A.
TI Molecular composition and volatility of isoprene photochemical oxidation
secondary organic aerosol under low- and high-NOx conditions
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID SOUTHEASTERN UNITED-STATES; VAPOR-PRESSURE ESTIMATION; ALPHA-PINENE;
REACTIVE UPTAKE; SOA FORMATION; 2-METHYLGLYCERIC ACID; BIOGENIC
EMISSIONS; EPOXIDE FORMATION; CROSS-SECTIONS; PHOTOOXIDATION
AB We present measurements of secondary organic aerosol (SOA) formation from isoprene photochemical oxidation in an environmental simulation chamber at a variety of oxidant conditions and using dry neutral seed particles to suppress acid-catalyzed multiphase chemistry. A high-resolution time-of-flight chemical ionization mass spectrometer (HR-ToF-CIMS) utilizing iodide-adduct ionization coupled to the Filter Inlet for Gases and Aerosols (FIGAERO) allowed for simultaneous online sampling of the gas and particle composition. Under high-HO2 and low-NO conditions, highly oxygenated (O : C >= 1) C-5 compounds were major components (similar to 50 %) of SOA. The SOA composition and effective volatility evolved both as a function of time and as a function of input NO concentrations. Organic nitrates increased in both the gas and particle phases as input NO increased, but the dominant non-nitrate particle-phase components monotonically decreased. We use comparisons of measured and predicted gas-particle partitioning of individual components to assess the validity of literature-based group-contribution methods for estimating saturation vapor concentrations. While there is evidence for equilibrium partitioning being achieved on the chamber residence timescale (5.2 h) for some individual components, significant errors in group-contribution methods are revealed. In addition, >30% of the SOA mass, detected as low-molecular-weight semivolatile compounds, cannot be reconciled with equilibrium partitioning. These compounds desorb from the FIGAERO at unexpectedly high temperatures given their molecular composition, which is indicative of thermal decomposition of effectively lower-volatility components such as larger molecular weight oligomers.
C1 [D'Ambro, Emma L.; Lee, Ben H.; Gaston, Cassandra J.; Lopez-Hilfiker, Felipe D.; Schobesberger, Siegfried; Mohr, Claudia; Thornton, Joel A.] Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA.
[D'Ambro, Emma L.; Thornton, Joel A.] Univ Washington, Dept Chem, Seattle, WA 98195 USA.
[Liu, Jiumeng; Shilling, John E.; Zaveri, Rahul A.] Pacific Northwest Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Shilling, John E.] Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
[Lutz, Anna] Univ Gothenburg, Dept Chem, Atmospher Sci, Gothenburg, Sweden.
[Zhang, Zhenfa; Gold, Avram; Surratt, Jason D.] Univ N Carolina, Dept Environm Sci & Engn, Gillings Sch Global & Publ Hlth, Chapel Hill, NC 27599 USA.
[Rivera-Rios, Jean C.; Keutsch, Frank N.] Harvard Univ, John A Paulson Sch Engn & Appl Sci, Cambridge, MA 02138 USA.
[Rivera-Rios, Jean C.; Keutsch, Frank N.] Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA 02138 USA.
[Gaston, Cassandra J.] Univ Miami, Rosenstiel Sch Marine & Atmospher Sci, Miami, FL 33149 USA.
[Lopez-Hilfiker, Felipe D.] Paul Scherrer Inst, Lab Atmospher Chem, Zurich, Switzerland.
[Mohr, Claudia] Karlsruhe Inst Technol, Inst Meteorol & Climate Res, Karlsruhe, Germany.
RP Thornton, JA (reprint author), Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA.; Thornton, JA (reprint author), Univ Washington, Dept Chem, Seattle, WA 98195 USA.
EM thornton@atmos.uw.edu
RI Mohr, Claudia/D-9857-2011;
OI Mohr, Claudia/0000-0002-3291-9295; D'Ambro, Emma/0000-0002-3041-9027
FU US Department of Energy ASR grants [DE-SC0011791]; National Science
Foundation Graduate Research Fellowship [DGE-1256082]; National Oceanic
and Atmospheric Administration (NOAA) Climate and Global Change
Postdoctoral Fellowship Program; National Science Foundation [AGS
1628491, 1628530]; US Department of Energy, Office of Biological and
Environmental Research as part of the ASR program; DOE by Battelle
Memorial Institute [DE-AC05-76RL01830]
FX This work was supported by the US Department of Energy ASR grants
DE-SC0011791. Emma L. D'Ambro was supported by the National Science
Foundation Graduate Research Fellowship under grant no. DGE-1256082. Ben
H. Lee was supported by the National Oceanic and Atmospheric
Administration (NOAA) Climate and Global Change Postdoctoral Fellowship
Program. Frank N. Keutsch and Jean C. Rivera-Rios were supported by the
National Science Foundation (AGS 1628491 and 1628530). PNNL authors were
supported by the US Department of Energy, Office of Biological and
Environmental Research as part of the ASR program. The Pacific Northwest
National Laboratory is operated for DOE by Battelle Memorial Institute
under contract DE-AC05-76RL01830. We thank J. D. Crounse for useful
discussions.
NR 69
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U1 35
U2 35
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.
PD JAN 4
PY 2017
VL 17
IS 1
BP 159
EP 174
DI 10.5194/acp-17-159-2017
PG 16
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA EH9WX
UT WOS:000392123600001
ER
PT J
AU Vasdekis, AE
Silverman, AM
Stephanopoulos, G
AF Vasdekis, Andreas E.
Silverman, Andrew M.
Stephanopoulos, Gregory
TI Exploiting Bioprocessing Fluctuations to Elicit the Mechanistics of De
Novo Lipogenesis in Yarrowia lipolytica
SO PLOS ONE
LA English
DT Article
ID LIPID DROPLETS; SINGLE-CELL; GENE-EXPRESSION; SACCHAROMYCES-CEREVISIAE;
METABOLIC FLUXES; NOISE; GROWTH; MICROORGANISMS; STOCHASTICITY;
HETEROGENEITY
AB Despite substantial achievements in elucidating the metabolic pathways of lipogenesis, a mechanistic representation of lipid accumulation and degradation has not been fully attained to-date. Recent evidence suggests that lipid accumulation can occur through increases of either the cytosolic copy-number of lipid droplets (LDs), or the LDs size. However, the prevailing phenotype, or how such mechanisms pertain to lipid degradation remain poorly understood. To address this shortcoming, we employed the-recently discovered-innate bioprocessing fluctuations in Yarrowia lipolytica, and performed single-cell fluctuation analysis using optical microscopy and microfluidics that generate a quasi-time invariant microenvironment. We report that lipid accumulation at early stationary phase in rich medium is substantially more likely to occur through variations in the LDs copy-number, rather than the LDs size. Critically, these mechanistics are also preserved during lipid degradation, as well as upon exposure to a protein translation inhibitor. The latter condition additionally induced a lipid accumulation phase, accompanied by the downregulation of lipid catabolism. Our results enable an in-depth mechanistic understanding of lipid biogenesis, and expand longitudinal single-cell fluctuation analyses from gene regulation to metabolism.
C1 [Vasdekis, Andreas E.] Univ Idaho, Dept Phys, Moscow, ID 83844 USA.
[Vasdekis, Andreas E.] Pacific Northwest Natl Lab, Environm & Mol Sci Lab, Richland, WA 99354 USA.
[Silverman, Andrew M.; Stephanopoulos, Gregory] MIT, Dept Chem Engn, Cambridge, MA 02139 USA.
RP Vasdekis, AE (reprint author), Univ Idaho, Dept Phys, Moscow, ID 83844 USA.; Vasdekis, AE (reprint author), Pacific Northwest Natl Lab, Environm & Mol Sci Lab, Richland, WA 99354 USA.; Stephanopoulos, G (reprint author), MIT, Dept Chem Engn, Cambridge, MA 02139 USA.
EM andreasv@uidaho.edu; gregstep@mit.edu
OI Vasdekis, Andreas/0000-0003-4315-1047
FU Institutional Development Award (IDeA) from the National Institute of
General Medical Sciences of the National Institutes of Health [P20
GM103408]; Pacific Northwest National Laboratory (Linus Pauling
Fellowship) [PN12005/2406]; US Department of Energy [SC 0008744];
Department of Energy's Office of Biological and Environmental Research;
National Institute of General Medical Sciences of the National
Institutes of Health [P20GM104420]
FX AEV acknowledges support from an Institutional Development Award (IDeA)
from the National Institute of General Medical Sciences of the National
Institutes of Health (P20 GM103408), as well as from the Pacific
Northwest National Laboratory (Linus Pauling Fellowship - PN12005/2406);
GS acknowledges financial support from the US Department of Energy,
Grant no. SC 0008744. Part of the research was performed using EMSL, a
national user facility sponsored by the Department of Energy's Office of
Biological and Environmental Research located at Pacific Northwest
National Laboratory.; AEV acknowledges support by the National Institute
of General Medical Sciences of the National Institutes of Health under
Award Number P20GM104420. The content is solely the responsibility of
the authors and does not necessarily represent the official views of the
National Institutes of Health. AEV also acknowledges funding from the
Pacific Northwest National Laboratory (Linus Pauling
Fellowship-PN12005/2406); GS acknowledges financial support from the US
Department of Energy, Grant no. SC 0008744. Part of the research was
performed using EMSL, a national user facility sponsored by the
Department of Energy's Office of Biological and Environmental Research
located at Pacific Northwest National Laboratory.
NR 53
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U1 7
U2 7
PU PUBLIC LIBRARY SCIENCE
PI SAN FRANCISCO
PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA
SN 1932-6203
J9 PLOS ONE
JI PLoS One
PD JAN 4
PY 2017
VL 12
IS 1
AR e0168889
DI 10.1371/journal.pone.0168889
PG 13
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA EH2TP
UT WOS:000391621500025
PM 28052085
ER
PT J
AU Jia, S
Shen, CP
Yuan, CZ
Adachi, I
Aihara, H
Al Said, S
Asner, DM
Aushev, T
Ayad, R
Babu, V
Badhrees, I
Bakich, AM
Bansal, V
Barberio, E
Behera, P
Bhuyan, B
Biswal, J
Bonvicini, G
Bozek, A
Bracko, M
Browder, TE
Cervenkov, D
Chang, P
Chekelian, V
Chen, A
Cheon, BG
Chilikin, K
Cho, K
Choi, SK
Choi, Y
Cinabro, D
Dash, N
Di Carlo, S
Dolezal, Z
Drasal, Z
Dutta, D
Eidelman, S
Farhat, H
Fast, JE
Ferber, T
Fulsom, BG
Gaur, V
Gabyshev, N
Garmash, A
Gillard, R
Goldenzweig, P
Golob, B
Haba, J
Hara, T
Hayasaka, K
Hayashii, H
Hedges, MT
Hou, WS
Iijima, T
Inami, K
Inguglia, G
Ishikawa, A
Itoh, R
Jaegle, I
Joffe, D
Joo, KK
Julius, T
Kang, KH
Katrenko, P
Kawasaki, T
Kichimi, H
Kiesling, C
Kim, DY
Kim, HJ
Kim, JB
Kim, KT
Kim, MJ
Kim, SH
Kim, YJ
Kodys, P
Korpar, S
Kotchetkov, D
Krizan, P
Krokovny, P
Kuhr, T
Kulasiri, R
Kuzmin, A
Kwon, YJ
Lange, JS
Li, CH
Li, L
Li, Y
Gioi, LL
Libby, J
Liventsev, D
Lubej, M
Luo, T
Masuda, M
Matsuda, T
Matvienko, D
Miyabayashi, K
Miyata, H
Mizuk, R
Moon, HK
Mori, T
Nakao, M
Nanut, T
Nath, KJ
Natkaniec, Z
Nayak, M
Niiyama, M
Nisar, NK
Nishida, S
Ogawa, S
Okuno, S
Ono, H
Onuki, Y
Ostrowicz, W
Pakhlova, G
Pal, B
Park, CS
Park, H
Pestotnik, R
Piilonen, LE
Pulvermacher, C
Ritter, M
Rostomyan, A
Sakai, Y
Sandilya, S
Santelj, L
Sanuki, T
Savinov, V
Schneider, O
Schnell, G
Schwanda, C
Seino, Y
Senyo, K
Sevior, ME
Shebalin, V
Shibata, TA
Shiu, JG
Shwartz, B
Simon, F
Sokolov, A
Solovieva, E
Staric, M
Strube, JF
Sumihama, M
Sumiyoshi, T
Suzuki, K
Takizawa, M
Tamponi, U
Tanida, K
Tenchini, F
Uchida, M
Uglov, T
Unno, Y
Uno, S
Urquijo, P
Usov, Y
Van Hulse, C
Varner, G
Vorobyev, V
Wang, CH
Wang, MZ
Wang, P
Watanabe, Y
Widmann, E
Won, E
Yamashita, Y
Ye, H
Yelton, J
Zhang, ZP
Zhilich, V
Zhukova, V
Zhulanov, V
Zupanc, A
AF Jia, S.
Shen, C. P.
Yuan, C. Z.
Adachi, I.
Aihara, H.
Al Said, S.
Asner, D. M.
Aushev, T.
Ayad, R.
Babu, V.
Badhrees, I.
Bakich, A. M.
Bansal, V.
Barberio, E.
Behera, P.
Bhuyan, B.
Biswal, J.
Bonvicini, G.
Bozek, A.
Bracko, M.
Browder, T. E.
Cervenkov, D.
Chang, P.
Chekelian, V.
Chen, A.
Cheon, B. G.
Chilikin, K.
Cho, K.
Choi, S. -K.
Choi, Y.
Cinabro, D.
Dash, N.
Di Carlo, S.
Dolezal, Z.
Drasal, Z.
Dutta, D.
Eidelman, S.
Farhat, H.
Fast, J. E.
Ferber, T.
Fulsom, B. G.
Gaur, V.
Gabyshev, N.
Garmash, A.
Gillard, R.
Goldenzweig, P.
Golob, B.
Haba, J.
Hara, T.
Hayasaka, K.
Hayashii, H.
Hedges, M. T.
Hou, W. -S.
Iijima, T.
Inami, K.
Inguglia, G.
Ishikawa, A.
Itoh, R.
Jaegle, I.
Joffe, D.
Joo, K. K.
Julius, T.
Kang, K. H.
Katrenko, P.
Kawasaki, T.
Kichimi, H.
Kiesling, C.
Kim, D. Y.
Kim, H. J.
Kim, J. B.
Kim, K. T.
Kim, M. J.
Kim, S. H.
Kim, Y. J.
Kodys, P.
Korpar, S.
Kotchetkov, D.
Krizan, P.
Krokovny, P.
Kuhr, T.
Kulasiri, R.
Kuzmin, A.
Kwon, Y. -J.
Lange, J. S.
Li, C. H.
Li, L.
Li, Y.
Gioi, L. Li
Libby, J.
Liventsev, D.
Lubej, M.
Luo, T.
Masuda, M.
Matsuda, T.
Matvienko, D.
Miyabayashi, K.
Miyata, H.
Mizuk, R.
Moon, H. K.
Mori, T.
Nakao, M.
Nanut, T.
Nath, K. J.
Natkaniec, Z.
Nayak, M.
Niiyama, M.
Nisar, N. K.
Nishida, S.
Ogawa, S.
Okuno, S.
Ono, H.
Onuki, Y.
Ostrowicz, W.
Pakhlova, G.
Pal, B.
Park, C. -S.
Park, H.
Pestotnik, R.
Piilonen, L. E.
Pulvermacher, C.
Ritter, M.
Rostomyan, A.
Sakai, Y.
Sandilya, S.
Santelj, L.
Sanuki, T.
Savinov, V.
Schneider, O.
Schnell, G.
Schwanda, C.
Seino, Y.
Senyo, K.
Sevior, M. E.
Shebalin, V.
Shibata, T. -A.
Shiu, J. -G.
Shwartz, B.
Simon, F.
Sokolov, A.
Solovieva, E.
Staric, M.
Strube, J. F.
Sumihama, M.
Sumiyoshi, T.
Suzuki, K.
Takizawa, M.
Tamponi, U.
Tanida, K.
Tenchini, F.
Uchida, M.
Uglov, T.
Unno, Y.
Uno, S.
Urquijo, P.
Usov, Y.
Van Hulse, C.
Varner, G.
Vorobyev, V.
Wang, C. H.
Wang, M. -Z.
Wang, P.
Watanabe, Y.
Widmann, E.
Won, E.
Yamashita, Y.
Ye, H.
Yelton, J.
Zhang, Z. P.
Zhilich, V.
Zhukova, V.
Zhulanov, V.
Zupanc, A.
CA Belle Collaboration
TI Search for the 0(--) glueball in Upsilon(1S) and Upsilon(2S) decays
SO PHYSICAL REVIEW D
LA English
DT Article
ID BELLE; IDENTIFICATION; KEKB
AB We report the first search for the J(PC) = 0(--) glueball in Upsilon(1S) and Upsilon(2S) decays with data samples of (102 +/- 2) x 10(6) and (158 +/- 4) x 10(6) events, respectively, collected with the Belle detector. No significant signals are observed in any of the proposed production modes, and the 90% credibility level upper limits on their branching fractions in Upsilon(1S) and Upsilon(2S) decays are obtained. The inclusive branching fractions of the Upsilon(1S) and Upsilon(2S) decays into final states with chi(c1) are measured to be B(Upsilon(1S) -> chi(c1) + anything) = (1.90 +/- 0.43(stat) +/- 0.14(syst) x 10(-4) with an improved precision over prior measurements and B Upsilon(2S) -> chi(c1) + anything) = (2.24 +/- 0.44(stat) +/- 0.20(syst) x 10(-4) for the first time.
C1 [Schnell, G.; Van Hulse, C.] Univ Basque Country UPV EHU, Bilbao 48080, Spain.
[Jia, S.; Shen, C. P.] Beihang Univ, Beijing 100191, Peoples R China.
[Eidelman, S.; Gabyshev, N.; Garmash, A.; Krokovny, P.; Kuzmin, A.; Matvienko, D.; Shebalin, V.; Shwartz, B.; Usov, Y.; Vorobyev, V.; Zhilich, V.; Zhulanov, V.] Budker Inst Nucl Phys SB RAS, Novosibirsk 630090, Russia.
[Cervenkov, D.; Dolezal, Z.; Drasal, Z.; Kodys, P.] Charles Univ Prague, Fac Math & Phys, CR-12116 Prague, Czech Republic.
[Joo, K. K.] Chonnam Natl Univ, Kwangju 660701, South Korea.
[Pal, B.; Sandilya, S.] Univ Cincinnati, Cincinnati, OH 45221 USA.
[Ferber, T.; Inguglia, G.; Rostomyan, A.; Ye, H.] DESY, D-22607 Hamburg, Germany.
[Jaegle, I.; Yelton, J.] Univ Florida, Gainesville, FL 32611 USA.
[Lange, J. S.] Justus Liebig Univ Giessen, D-35392 Giessen, Germany.
[Sumihama, M.] Gifu Univ, Gifu 5011193, Japan.
[Adachi, I.; Haba, J.; Hara, T.; Itoh, R.; Nakao, M.; Nishida, S.; Sakai, Y.; Uno, S.] SOKENDAI Grad Univ Adv Studies, Hayama 2400193, Japan.
[Choi, S. -K.] Gyeongsang Natl Univ, Chinju 660701, South Korea.
[Cheon, B. G.; Kim, S. H.; Unno, Y.] Hanyang Univ, Seoul 133791, South Korea.
[Browder, T. E.; Hedges, M. T.; Kotchetkov, D.; Varner, G.] Univ Hawaii, Honolulu, HI 96822 USA.
[Adachi, I.; Haba, J.; Hara, T.; Itoh, R.; Kichimi, H.; Liventsev, D.; Nakao, M.; Nayak, M.; Nishida, S.; Pulvermacher, C.; Sakai, Y.; Santelj, L.; Uno, S.] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 3050801, Japan.
[Takizawa, M.] High Energy Accelerator Res Org KEK, KEK Theory Ctr, J PARC Branch, Tsukuba, Ibaraki 3050801, Japan.
[Schnell, G.] Basque Fdn Sci, Ikerbasque, Bilbao 48013, Spain.
[Dash, N.] Indian Inst Technol Bhubaneswar, Satya Nagar 751007, Orissa, India.
[Bhuyan, B.; Nath, K. J.] Indian Inst Technol Guwahati, Gauhati 781039, Assam, India.
[Behera, P.; Libby, J.] Indian Inst Technol, Madras 600036, Tamil Nadu, India.
[Yuan, C. Z.; Wang, P.] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China.
[Schwanda, C.] Inst High Energy Phys, A-1050 Vienna, Austria.
[Sokolov, A.] Inst High Energy Phys, Protvino 142281, Russia.
[Tamponi, U.] INFN Sez Torino, I-10125 Turin, Italy.
[Tanida, K.] Japan Atom Energy Agcy, Adv Sci Res Ctr, Naka, Ibaraki 3191195, Japan.
[Biswal, J.; Bracko, M.; Golob, B.; Korpar, S.; Krizan, P.; Lubej, M.; Nanut, T.; Pestotnik, R.; Staric, M.; Zupanc, A.] J Stefan Inst, Ljubljana 1000, Slovenia.
[Okuno, S.; Watanabe, Y.] Kanagawa Univ, Yokohama, Kanagawa 2218686, Japan.
[Goldenzweig, P.] Karlsruher Inst Technol, Inst Expt Kernphys, D-76131 Karlsruhe, Germany.
[Joffe, D.; Kulasiri, R.] Kennesaw State Univ, Kennesaw, GA 30144 USA.
[Badhrees, I.] King Abdulaziz City Sci & Technol, Riyadh 11442, Saudi Arabia.
[Al Said, S.] King Abdulaziz Univ, Fac Sci, Dept Phys, Jeddah 21589, Saudi Arabia.
[Cho, K.; Kim, Y. J.] Korea Inst Sci & Technol Informat, Daejeon 305806, South Korea.
[Kim, J. B.; Kim, K. T.; Moon, H. K.; Won, E.] Korea Univ, Seoul 136713, South Korea.
[Niiyama, M.] Kyoto Univ, Kyoto 6068502, Japan.
[Kang, K. H.; Kim, H. J.; Kim, M. J.; Park, H.] Kyungpook Natl Univ, Daegu 702701, South Korea.
[Schneider, O.] Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland.
[Chilikin, K.; Katrenko, P.; Mizuk, R.; Pakhlova, G.; Solovieva, E.; Uglov, T.] Russian Acad Sci, PN Lebedev Phys Inst, Moscow 119991, Russia.
[Golob, B.; Krizan, P.; Zupanc, A.] Univ Ljubljana, Fac Math & Phys, Ljubljana 1000, Slovenia.
[Kuhr, T.; Ritter, M.] Ludwig Maximilians Univ Munchen, D-80539 Munich, Germany.
[Bracko, M.; Korpar, S.] Univ Maribor, SLO-2000 Maribor, Slovenia.
[Chekelian, V.; Kiesling, C.; Gioi, L. Li; Simon, F.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany.
[Barberio, E.; Julius, T.; Li, C. H.; Sevior, M. E.; Tenchini, F.; Urquijo, P.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia.
[Matsuda, T.] Miyazaki Univ, Miyazaki 8892192, Japan.
[Chilikin, K.; Mizuk, R.; Zhukova, V.] Moscow Phys Engn Inst, Moscow 115409, Russia.
[Aushev, T.; Katrenko, P.; Mizuk, R.; Pakhlova, G.; Solovieva, E.; Uglov, T.] Moscow Inst Phys & Technol, Dolgoprudnyi 141700, Moscow Region, Russia.
[Iijima, T.; Inami, K.; Mori, T.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648602, Japan.
[Iijima, T.] Nagoya Univ, Kobayashi Maskawa Inst, Nagoya, Aichi 4648602, Japan.
[Hayashii, H.; Miyabayashi, K.] Nara Womens Univ, Nara 6308506, Japan.
[Chen, A.] Natl Cent Univ, Chungli 32054, Taiwan.
[Wang, C. H.] Natl United Univ, Miaoli 36003, Taiwan.
[Chang, P.; Hou, W. -S.; Shiu, J. -G.; Wang, M. -Z.] Natl Taiwan Univ, Dept Phys, Taipei 10617, Taiwan.
[Bozek, A.; Natkaniec, Z.; Ostrowicz, W.] H Niewodniczanski Inst Nucl Phys, PL-31342 Krakow, Poland.
[Ono, H.; Yamashita, Y.] Nippon Dent Univ, Niigata 9518580, Japan.
[Hayasaka, K.; Kawasaki, T.; Miyata, H.; Ono, H.; Seino, Y.] Niigata Univ, Niigata 9502181, Japan.
[Eidelman, S.; Gabyshev, N.; Garmash, A.; Krokovny, P.; Kuzmin, A.; Matvienko, D.; Shebalin, V.; Shwartz, B.; Usov, Y.; Vorobyev, V.; Zhilich, V.; Zhulanov, V.] Novosibirsk State Univ, Novosibirsk 630090, Russia.
[Asner, D. M.; Bansal, V.; Fast, J. E.; Fulsom, B. G.; Strube, J. F.] Pacific Northwest Natl Lab, Richland, WA 99352 USA.
[Luo, T.; Nisar, N. K.; Savinov, V.] Univ Pittsburgh, Pittsburgh, PA 15260 USA.
[Takizawa, M.] RIKEN, Nishina Ctr, Theoret Res Div, Wako, Saitama 3510198, Japan.
[Li, L.; Zhang, Z. P.] Univ Sci & Technol China, Hefei 230026, Peoples R China.
[Takizawa, M.] Showa Pharmaceut Univ, Tokyo 1948543, Japan.
[Kim, D. Y.] Soongsil Univ, Seoul 156743, South Korea.
[Suzuki, K.; Widmann, E.] Stefan Meyer Inst Subat Phys, A-1090 Vienna, Austria.
[Choi, Y.] Sungkyunkwan Univ, Suwon 440746, South Korea.
[Bakich, A. M.] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia.
[Al Said, S.; Ayad, R.; Badhrees, I.] Univ Tabuk, Fac Sci, Dept Phys, Tabuk 71451, Saudi Arabia.
[Babu, V.; Dutta, D.; Gaur, V.] Inst Fundamental Res, Bombay 400005, Maharashtra, India.
[Simon, F.] Tech Univ Munich, Excellence Cluster Universe, D-85748 Garching, Germany.
[Ogawa, S.] Toho Univ, Funabashi, Chiba 2748510, Japan.
[Ishikawa, A.; Sanuki, T.] Tohoku Univ, Dept Phys, Sendai, Miyagi 9808578, Japan.
[Masuda, M.] Univ Tokyo, Earthquake Res Inst, Tokyo 1130032, Japan.
[Aihara, H.; Onuki, Y.] Univ Tokyo, Dept Phys, Tokyo 1130033, Japan.
[Shibata, T. -A.; Uchida, M.] Tokyo Inst Technol, Tokyo 1528550, Japan.
[Sumiyoshi, T.] Tokyo Metropolitan Univ, Tokyo 1920397, Japan.
[Tamponi, U.] Univ Turin, I-10124 Turin, Italy.
[Li, Y.; Liventsev, D.; Piilonen, L. E.] Virginia Polytech Inst & State Univ, Blacksburg, VA 24061 USA.
[Bonvicini, G.; Cinabro, D.; Di Carlo, S.; Farhat, H.; Gillard, R.; Nayak, M.] Wayne State Univ, Detroit, MI 48202 USA.
[Senyo, K.] Yamagata Univ, Yamagata 9908560, Japan.
[Kwon, Y. -J.; Park, C. -S.] Yonsei Univ, Seoul 120749, South Korea.
RP Jia, S (reprint author), Beihang Univ, Beijing 100191, Peoples R China.
RI Pakhlova, Galina/C-5378-2014; Cervenkov, Daniel/D-2884-2017; Widmann,
Eberhard/G-2545-2011; Faculty of, Sciences, KAU/E-7305-2017; Solovieva,
Elena/B-2449-2014
OI Pakhlova, Galina/0000-0001-7518-3022; Cervenkov,
Daniel/0000-0002-1865-741X; Widmann, Eberhard/0000-0003-0486-6023;
Solovieva, Elena/0000-0002-5735-4059
FU Ministry of Education, Culture, Sports, Science, and Technology (MEXT)
of Japan; Japan Society for the Promotion of Science (JSPS); Tau-Lepton
Physics Research Center of Nagoya University; Australian Research
Council; Austrian Science Fund [P 26794-N20]; National Natural Science
Foundation of China [10575109, 10775142, 10875115, 11175187, 11475187,
11521505, 11575017]; Chinese Academy of Science Center for Excellence in
Particle Physics; Ministry of Education, Youth and Sports of the Czech
Republic [LG14034]; Carl Zeiss Foundation; Deutsche
Forschungsgemeinschaft; VolkswagenStiftung; Department of Science and
Technology of India; Istituto Nazionale di Fisica Nucleare of Italy; WCU
program of the Ministry of Education, National Research Foundation (NRF)
of Korea [2011-0029457, 2012-0008143, 2014R1A2A2A01005286,
2014R1A2A2A01002734, 2015R1A2A2A01003280, 2015H1A2A1033649,
2016R1D1A1B01010135, 2016K1A3A7A09005603, 2016K1A3A7A09005604,
2016R1D1A1B02012900, 2016K1A3A7A09005606, NRF-2013K1A3A7A06056592];
Brain Korea 21-Plus program; Polish Ministry of Science and Higher
Education; Ministry of Education and Science of the Russian Federation;
Russian Foundation for Basic Research; Slovenian Research Agency; Euskal
Herriko Unibertsitatea (UPV/EHU) under program (Spain) [UFI 11/55];
Swiss National Science Foundation; Ministry of Education of Taiwan;
Ministry of Science and Technology of Taiwan; U.S. Department of Energy;
National Science Foundation; Ikerbasque; Excellence Cluster Universe;
Radiation Science Research Institute; National Science Center; Basque
Foundation for Science
FX We thank the KEKB group for the excellent operation of the accelerator;
the KEK cryogenics group for the efficient operation of the solenoid;
and the KEK computer group, the National Institute of Informatics, and
the PNNL/EMSL computing group for valuable computing and SINET5 network
support. We acknowledge support from the Ministry of Education, Culture,
Sports, Science, and Technology (MEXT) of Japan, the Japan Society for
the Promotion of Science (JSPS), and the Tau-Lepton Physics Research
Center of Nagoya University; the Australian Research Council; Austrian
Science Fund under Grant No. P 26794-N20; the National Natural Science
Foundation of China under Contracts No. 10575109, No. 10775142, No.
10875115, No. 11175187, No. 11475187, No. 11521505, and No. 11575017;
the Chinese Academy of Science Center for Excellence in Particle
Physics; the Ministry of Education, Youth and Sports of the Czech
Republic under Contract No. LG14034; the Carl Zeiss Foundation, the
Deutsche Forschungsgemeinschaft, the Excellence Cluster Universe, and
the VolkswagenStiftung; the Department of Science and Technology of
India; the Istituto Nazionale di Fisica Nucleare of Italy; the WCU
program of the Ministry of Education, National Research Foundation (NRF)
of Korea Grants No. 2011-0029457, No. 2012-0008143, No.
2014R1A2A2A01005286, No. 2014R1A2A2A01002734, No. 2015R1A2A2A01003280,
No. 2015H1A2A1033649, No. 2016R1D1A1B01010135, No. 2016K1A3A7A09005603,
No. 2016K1A3A7A09005604, No. 2016R1D1A1B02012900, No.
2016K1A3A7A09005606, No. NRF-2013K1A3A7A06056592; the Brain Korea
21-Plus program and Radiation Science Research Institute; the Polish
Ministry of Science and Higher Education and the National Science
Center; the Ministry of Education and Science of the Russian Federation
and the Russian Foundation for Basic Research; the Slovenian Research
Agency; Ikerbasque, Basque Foundation for Science and the Euskal Herriko
Unibertsitatea (UPV/EHU) under program UFI 11/55 (Spain); the Swiss
National Science Foundation; the Ministry of Education and the Ministry
of Science and Technology of Taiwan; and the U.S. Department of Energy
and the National Science Foundation.
NR 22
TC 0
Z9 0
U1 5
U2 5
PU AMER PHYSICAL SOC
PI COLLEGE PK
PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 2470-0010
EI 2470-0029
J9 PHYS REV D
JI Phys. Rev. D
PD JAN 4
PY 2017
VL 95
IS 1
AR 012001
DI 10.1103/PhysRevD.95.012001
PG 13
WC Astronomy & Astrophysics; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA EG8NK
UT WOS:000391313700001
ER
PT J
AU Lee, J
Lee, W
Wehmeyer, G
Dhuey, S
Olynick, DL
Cabrini, S
Dames, C
Urban, JJ
Yang, PD
AF Lee, Jaeho
Lee, Woochul
Wehmeyer, Geoff
Dhuey, Scott
Olynick, Deirdre L.
Cabrini, Stefano
Dames, Chris
Urban, Jeffrey J.
Yang, Peidong
TI Investigation of phonon coherence and backscattering using silicon
nanomeshes
SO NATURE COMMUNICATIONS
LA English
DT Article
ID THERMAL-CONDUCTIVITY; BOUNDARY SCATTERING; HEAT-CONDUCTION; TEMPERATURE;
TRANSPORT; SUPERLATTICES; NANOWIRES; CRYSTALS; FILMS
AB Phonons can display both wave-like and particle-like behaviour during thermal transport. While thermal transport in silicon nanomeshes has been previously interpreted by phonon wave effects due to interference with periodic structures, as well as phonon particle effects including backscattering, the dominant mechanism responsible for thermal conductivity reductions below classical predictions still remains unclear. Here we isolate the wave-related coherence effects by comparing periodic and aperiodic nanomeshes, and quantify the backscattering effect by comparing variable-pitch nanomeshes. We measure identical (within 6% uncertainty) thermal conductivities for periodic and aperiodic nanomeshes of the same average pitch, and reduced thermal conductivities for nanomeshes with smaller pitches. Ray tracing simulations support the measurement results. We conclude phonon coherence is unimportant for thermal transport in silicon nanomeshes with periodicities of 100 nm and higher and temperatures above 14 K, and phonon backscattering, as manifested in the classical size effect, is responsible for the thermal conductivity reduction.
C1 [Lee, Jaeho; Lee, Woochul; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Lee, Jaeho; Yang, Peidong] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Lee, Jaeho] Univ Calif Irvine, Dept Mech & Aerosp Engn, Irvine, CA 92697 USA.
[Lee, Woochul; Dhuey, Scott; Olynick, Deirdre L.; Cabrini, Stefano; Urban, Jeffrey J.] Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Wehmeyer, Geoff; Dames, Chris] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA.
[Yang, Peidong] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Yang, Peidong] Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
RP Yang, PD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Yang, PD (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.; Urban, JJ (reprint author), Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.; Dames, C (reprint author), Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA.; Yang, PD (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.; Yang, PD (reprint author), Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
EM cdames@berkeley.edu; jjurban@lbl.gov; p_yang@berkeley.edu
FU Office of Science, Office of Basic Energy Sciences, Materials Sciences
and Engineering Division, of the U.S. Department of Energy
[DE-AC02-05CH11231]; NSF GRFP [1106400]
FX We thank Dr Kedar Hippalgaonkar, Dr Hungta Wang and Dr Jongwoo Lim for
their contributions to the device fabrication. This work was supported
by 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. Work at the Molecular Foundry was
supported by 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. This work was also
supported by NSF GRFP (Grant No. 1106400).
NR 50
TC 2
Z9 2
U1 19
U2 19
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN 4
PY 2017
VL 8
AR 14054
DI 10.1038/ncomms14054
PG 8
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA EG6ZT
UT WOS:000391195600001
PM 28051081
ER
PT J
AU Menezes, AA
Vilardi, RF
Arkin, AP
Cohen, MJ
AF Menezes, Amor A.
Vilardi, Ryan F.
Arkin, Adam P.
Cohen, Mitchell J.
TI Targeted clinical control of trauma patient coagulation through a
thrombin dynamics model
SO SCIENCE TRANSLATIONAL MEDICINE
LA English
DT Article
ID TRANSFUSION
AB We present a methodology for personalizing the clinical treatment of severely injured patients with acute traumatic coagulopathy (ATC), an endogenous biological response of impaired coagulation that occurs early after trauma and shock and that is associated with increased bleeding, morbidity, and mortality. Despite biological characterization of ATC, it is not easily or rapidly diagnosed, not always captured by slow laboratory testing, and not accurately represented by coagulation models. This lack of knowledge, combined with the inherent time pressures of trauma treatment, forces surgeons to treat ATC patients according to empirical resuscitation protocols. These entail transfusing large volumes of poorly characterized, nontargeted blood products that are not tailored to an individual, the injury, or coagulation dynamics. Massive transfusion mortality remains at 40 to 70% in the best of trauma centers. As an alternative to blunt treatments, time-consuming tests, and mechanistic models, we used dynamical systems theory to create a simple, biologically meaningful, and highly accurate model that (i) quickly forecasts a driver of downstream coagulation, thrombin concentration after tissue factor stimulation, using rapidly measurable concentrations of blood protein factors and (ii) determines the amounts of additional coagulation factors needed to rectify the predicted thrombin dynamics and potentially remedy ATC. We successfully demonstrate in vitro thrombin control consistent with the model. Compared to another model, we decreased the mean errors in two key trauma patient parameters: peak thrombin concentration after tissue factor stimulation and the time until this peak occurs. Our methodology helps to advance individualized resuscitation of trauma-induced coagulation deficits.
C1 [Menezes, Amor A.; Arkin, Adam P.] Univ Calif Berkeley, Calif Inst Quantitat Biosci, 2151 Berkeley Way, Berkeley, CA 94704 USA.
[Menezes, Amor A.; Arkin, Adam P.] EO Lawrence Berkeley Natl Lab, Environm Genom & Syst Biol Div, 1 Cyclotron Rd,Mailstop 955-512L, Berkeley, CA 94720 USA.
[Vilardi, Ryan F.] Univ Calif San Francisco, Dept Lab Med, 505 Parnassus Ave, San Francisco, CA 94143 USA.
[Arkin, Adam P.] Univ Calif Berkeley, Dept Bioengn, 2151 Berkeley Way, Berkeley, CA 94704 USA.
[Cohen, Mitchell J.] Denver Hlth Med Ctr, Dept Surg, 777 Bannock St, Denver, CO 80204 USA.
[Cohen, Mitchell J.] Univ Colorado, Dept Surg, 12631 East 17th Ave,C-305, Aurora, CO 80045 USA.
RP Arkin, AP (reprint author), Univ Calif Berkeley, Calif Inst Quantitat Biosci, 2151 Berkeley Way, Berkeley, CA 94704 USA.; Arkin, AP (reprint author), EO Lawrence Berkeley Natl Lab, Environm Genom & Syst Biol Div, 1 Cyclotron Rd,Mailstop 955-512L, Berkeley, CA 94720 USA.; Arkin, AP (reprint author), Univ Calif Berkeley, Dept Bioengn, 2151 Berkeley Way, Berkeley, CA 94704 USA.; Cohen, MJ (reprint author), Denver Hlth Med Ctr, Dept Surg, 777 Bannock St, Denver, CO 80204 USA.; Cohen, MJ (reprint author), Univ Colorado, Dept Surg, 12631 East 17th Ave,C-305, Aurora, CO 80045 USA.
EM aparkin@lbl.gov; mitchell.cohen@dhha.org
OI Menezes, Amor/0000-0003-3923-5766
FU Department of Defense [DOD W911NF-10-1-0384]; NIH [1 UM1 HL120877]
FX This study was supported by the Department of Defense (DOD
W911NF-10-1-0384) and the NIH (1 UM1 HL120877).
NR 21
TC 0
Z9 0
U1 3
U2 3
PU AMER ASSOC ADVANCEMENT SCIENCE
PI WASHINGTON
PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA
SN 1946-6234
EI 1946-6242
J9 SCI TRANSL MED
JI Sci. Transl. Med.
PD JAN 4
PY 2017
VL 9
IS 371
AR eaaf5045
DI 10.1126/scitranslmed.aaf5045
PG 11
WC Cell Biology; Medicine, Research & Experimental
SC Cell Biology; Research & Experimental Medicine
GA EG5UZ
UT WOS:000391111500003
ER
PT J
AU Wu, WZ
Yenkie, K
Maravelias, CT
AF Wu, Wenzhao
Yenkie, Kirti
Maravelias, Christos T.
TI A superstructure-based framework for bio-separation network synthesis
SO COMPUTERS & CHEMICAL ENGINEERING
LA English
DT Article
DE Mixed integer nonlinear programing; Process optimization; Global
optimization; Renewable chemicals
ID PHARMACEUTICAL PRODUCT DEVELOPMENT; CHEMICAL REACTOR NETWORKS; GLOBAL
OPTIMIZATION; FLOWSHEET OPTIMIZATION; SURROGATE MODELS; FUTURE
BIOREFINERIES; SYSTEMATIC DESIGN; HEAT INTEGRATION; LACTIC-ACID; BIOMASS
AB Modern biotechnologies enable the production of chemicals using engineered microorganisms. However, the cost of downstream recovery and purification steps is high, which means that the feasibility of bio-based chemicals production depends heavily on the synthesis of cost-effective separation networks. To this end, we develop a superstructure-based framework for bio-separation network synthesis. Based on general separation principles and insights obtained from industrial processes for specific products, we first identify four separation stages: cell treatment, product phase isolation, concentration and purification, and refinement. For each stage, we systematically implement a set of connectivity rules to develop stage-superstructures, all of which are then integrated to generate a general superstructure that accounts for all types of chemicals that can be produced using microorganisms. We further develop a superstructure reduction method to solve specific instances, based on product attributes, technology availability, case-specific considerations, and final product stream specifications. A general optimization model, including short-cut models for all technologies, is formulated. The proposed framework enables preliminary synthesis and analysis of bio-separation networks, and thus estimation of separation costs. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Maravelias, Christos T.] Univ Wisconsin Madison, Dept Chem & Biol Engn, Madison, WI 53706 USA.
Univ Wisconsin Madison, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA.
RP Maravelias, CT (reprint author), Univ Wisconsin Madison, Dept Chem & Biol Engn, Madison, WI 53706 USA.
EM maravelias@wisc.edu
FU National Science Foundation through Emerging Frontiers in Research and
Innovation program [EFRI-1240268]; DOE Great Lakes Bioenergy Research
Center (DOE Office of Science BER) [DE-FC02-07ER64494]
FX This work was funded by National Science Foundation through the Emerging
Frontiers in Research and Innovation program (EFRI-1240268), and the DOE
Great Lakes Bioenergy Research Center (DOE Office of Science BER
DE-FC02-07ER64494).
NR 109
TC 1
Z9 1
U1 11
U2 11
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0098-1354
EI 1873-4375
J9 COMPUT CHEM ENG
JI Comput. Chem. Eng.
PD JAN 4
PY 2017
VL 96
BP 1
EP 17
DI 10.1016/j.compchemeng.2016.10.007
PG 17
WC Computer Science, Interdisciplinary Applications; Engineering, Chemical
SC Computer Science; Engineering
GA ED9DA
UT WOS:000389169200001
ER
PT J
AU Wallen, JR
Zhang, H
Weis, C
Cui, WD
Foster, BM
Ho, CMW
Hammel, M
Tainer, JA
Gross, ML
Ellenberger, T
AF Wallen, Jamie R.
Zhang, Hao
Weis, Caroline
Cui, Weidong
Foster, Brittni M.
Ho, Chris M. W.
Hammel, Michal
Tainer, John A.
Gross, Michael L.
Ellenberger, Tom
TI Hybrid Methods Reveal Multiple Flexibly Linked DNA Polymerases within
the Bacteriophage T7 Replisome
SO STRUCTURE
LA English
DT Article
ID X-RAY-SCATTERING; GENE 4 PROTEIN; CRYSTAL-STRUCTURE; REPLICATION
MACHINERY; HEXAMER FORMATION; HELICASE-PRIMASE; PRIMING COMPLEX;
HIGH-THROUGHPUT; ASSEMBLIES; HYDROLYSIS
AB The physical organization of DNA enzymes at a replication fork enables efficient copying of two antiparallel DNA strands, yet dynamic protein interactions within the replication complex complicate replisome structural studies. We employed a combination of crystallographic, native mass spectrometry and small-angle X-ray scattering experiments to capture alternative structures of a model replication system encoded by bacteriophage T7. Two molecules of DNA polymerase bind the ring-shaped primase-helicase in a conserved orientation and provide structural insight into how the acidic C-terminal tail of the primase-helicase contacts the DNA polymerase to facilitate loading of the polymerase onto DNA. A third DNA polymerase binds the ring in an offset manner that may enable polymerase exchange during replication. Alternative polymerase binding modes are also detected by small-angle X-ray scattering withDNA substrates present. Our collective results unveil complex motions within T7 replisome higher-order structures that are underpinned by multivalent protein-protein interactions with functional implications.
C1 [Wallen, Jamie R.; Foster, Brittni M.] Western Carolina Univ, Dept Chem Phys, Cullowhee, NC 28723 USA.
[Zhang, Hao; Cui, Weidong; Gross, Michael L.] Washington Univ, Dept Chem, St Louis, MO 63130 USA.
[Weis, Caroline; Hammel, Michal; Tainer, John A.] Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging, Berkeley, CA 94720 USA.
[Ho, Chris M. W.; Ellenberger, Tom] Washington Univ, Sch Med, Dept Biochem & Mol Biophys, St Louis, MO 63110 USA.
[Tainer, John A.] MD Anderson Canc Ctr, Dept Mol & Cellular Oncol, Houston, TX 77054 USA.
RP Wallen, JR (reprint author), Western Carolina Univ, Dept Chem Phys, Cullowhee, NC 28723 USA.; Ellenberger, T (reprint author), Washington Univ, Sch Med, Dept Biochem & Mol Biophys, St Louis, MO 63110 USA.
EM jamiewallen@email.wcu.edu; tome@biochem.wustl.edu
FU NIH [GM055390, GM105404, GM103422, CA092584]; U.S. Department of Energy
[DE-SC0001035]; U.S. Department of Energy; Robert A. Welch Chemistry
Chair; Cancer Prevention and Research Institute of Texas; University of
Texas STARs program
FX This work was supported by grants from the NIH (GM055390 to T.E.,
GM105404 to M.H. and J.A.T., GM103422 to M.L.G., and CA092584 to J.A.T.
and T.E.) and the U.S. Department of Energy (DE-SC0001035 to M.L.G).
Native MS studies were conducted at the Mass Spectrometry Facility with
partial support of the Photosynthetic Antenna Research Center, an Energy
Frontier Research Center funded by the U.S. Department of Energy. J.A.T.
acknowledges added support of a Robert A. Welch Chemistry Chair, plus
startup funds from the Cancer Prevention and Research Institute of
Texas, and the University of Texas STARs program. Efforts to combine
SAXS and crystallography at the SIBYLS beamline of the Advanced Light
Source (Lawrence Berkeley National Laboratory) were supported in part by
United States Department of Energy program IDAT. We thank our many
colleagues for creative ideas and advice.
NR 49
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U2 1
PU CELL PRESS
PI CAMBRIDGE
PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA
SN 0969-2126
EI 1878-4186
J9 STRUCTURE
JI Structure
PD JAN 3
PY 2017
VL 25
IS 1
BP 157
EP 166
DI 10.1016/j.str.2016.11.019
PG 10
WC Biochemistry & Molecular Biology; Biophysics; Cell Biology
SC Biochemistry & Molecular Biology; Biophysics; Cell Biology
GA EO4YY
UT WOS:000396701400015
PM 28052235
ER
PT J
AU Biswas, R
Wilson, CM
Giannone, RJ
Klingeman, DM
Rydzak, T
Shah, MB
Hettich, RL
Brown, SD
Guss, AM
AF Biswas, Ranjita
Wilson, Charlotte M.
Giannone, Richard J.
Klingeman, Dawn M.
Rydzak, Thomas
Shah, Manesh B.
Hettich, Robert L.
Brown, Steven D.
Guss, Adam M.
TI Improved growth rate in Clostridium thermocellum hydrogenase mutant via
perturbed sulfur metabolism
SO BIOTECHNOLOGY FOR BIOFUELS
LA English
DT Article
DE Cellulosic ethanol; Clostridium thermocellum; Redox balance; Metabolic
engineering; Sulfate reduction
ID PEPTIDE IDENTIFICATION; LYSINE ACETYLATION; ETHANOL YIELDS; ATCC 27405;
CELLULOSE; PROFILES; ENZYME; TRANSFORMATION; DEHYDROGENASE;
DESULFOVIBRIO
AB Background: Metabolic engineering is a commonly used approach to develop organisms for an industrial function, but engineering aimed at improving one phenotype can negatively impact other phenotypes. This lack of robustness can prove problematic. Cellulolytic bacterium Clostridium thermocellum is able to rapidly ferment cellulose to ethanol and other products. Recently, genes involved in H-2 production, including the hydrogenase maturase Delta hydG and NiFe hydrogenase ech, were deleted from the chromosome of C. thermocellum. While ethanol yield increased, the growth rate of Delta hydG decreased substantially compared to wild type.
Results: Addition of 5 mM acetate to the growth medium improved the growth rate in C. thermocellum Delta hydG, whereas wild type remained unaffected. Transcriptomic analysis of the wild type showed essentially no response to the addition of acetate. However, in C. thermocellum Delta hydG, 204 and 56 genes were significantly differentially regulated relative to wild type in the absence and presence of acetate, respectively. Genes, Clo1313_0108-0125, which are predicted to encode a sulfate transport system and sulfate assimilatory pathway, were drastically upregulated in C. thermocellum Delta hydG in the presence of added acetate. A similar pattern was seen with proteomics. Further physiological characterization demonstrated an increase in sulfide synthesis and elimination of cysteine consumption in C. thermocellum Delta hydG. Clostridium thermocellum Delta hydG.ech had a higher growth rate than Delta hydG in the absence of added acetate, and a similar but less pronounced transcriptional and physiological effect was seen in this strain upon addition of acetate.
Conclusions: Sulfur metabolism is perturbed in C. thermocellum Delta hydG strains, likely to increase flux through sulfate reduction to act either as an electron sink to balance redox reactions or to offset an unknown deficiency in sulfur assimilation.
C1 [Biswas, Ranjita; Wilson, Charlotte M.; Klingeman, Dawn M.; Rydzak, Thomas; Shah, Manesh B.; Brown, Steven D.; Guss, Adam M.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37830 USA.
[Biswas, Ranjita; Wilson, Charlotte M.; Giannone, Richard J.; Klingeman, Dawn M.; Rydzak, Thomas; Shah, Manesh B.; Hettich, Robert L.; Brown, Steven D.; Guss, Adam M.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37830 USA.
[Giannone, Richard J.; Hettich, Robert L.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37830 USA.
[Biswas, Ranjita] Indian Inst Technol Delhi, Ctr Rural Dev & Technol, Hauz Khas, New Delhi 110016, India.
[Guss, Adam M.] One Bethel Valley Rd, Oak Ridge, TN 37831 USA.
RP Guss, AM (reprint author), One Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM gussam@ornl.gov
FU BioEnergy Science Center, U.S. DOE Bioenergy Research Center - Office of
Biological and Environmental Research in the DOE Office of Science; U.S.
Department of Energy Joint Genome Institute, a DOE Office of Science
User Facility [DE-AC02-05CH11231]
FX This work was supported by the BioEnergy Science Center, U.S. DOE
Bioenergy Research Center supported by the Office of Biological and
Environmental Research in the DOE Office of Science. The work conducted
by the U.S. Department of Energy Joint Genome Institute, a DOE Office of
Science User Facility, is supported under Contract No.
DE-AC02-05CH11231. The funders had no role in study design, data
collection and analysis, decision to publish, or preparation of the
manuscript.
NR 37
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Z9 0
U1 1
U2 1
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1754-6834
J9 BIOTECHNOL BIOFUELS
JI Biotechnol. Biofuels
PD JAN 3
PY 2017
VL 10
AR 6
DI 10.1186/s13068-016-0684-x
PG 10
WC Biotechnology & Applied Microbiology; Energy & Fuels
SC Biotechnology & Applied Microbiology; Energy & Fuels
GA EK3RA
UT WOS:000393842400006
PM 28053665
ER
PT J
AU Bredeweg, EL
Pomraning, KR
Dai, ZY
Nielsen, J
Kerkhoven, EJ
Baker, SE
AF Bredeweg, Erin L.
Pomraning, Kyle R.
Dai, Ziyu
Nielsen, Jens
Kerkhoven, Eduard J.
Baker, Scott E.
TI A molecular genetic toolbox for Yarrowia lipolytica
SO BIOTECHNOLOGY FOR BIOFUELS
LA English
DT Article
DE Yarrowia lipolytica; GFP localization; Overexpression plasmid; Genome
sequence; Tools; Superfolder GFP; Hygromycin B; Protein tagging;
Organelle labeling; Isogenic
ID YEAST SACCHAROMYCES-CEREVISIAE; FATTY-ACID SYNTHESIS; GREEN FLUORESCENT
PROTEIN; HYGROMYCIN-B RESISTANCE; ACETYL-COA CARBOXYLASE;
LIPID-ACCUMULATION; ENDOPLASMIC-RETICULUM; NITROGEN-LIMITATION;
ESCHERICHIA-COLI; OXIDATIVE STRESS
AB Background: Yarrowia lipolytica is an ascomycete yeast used in biotechnological research for its abilities to secrete high concentrations of proteins and accumulate lipids. Genetic tools have been made in a variety of backgrounds with varying similarity to a comprehensively sequenced strain.
Results: We have developed a set of genetic and molecular tools in order to expand capabilities of Y. lipolytica for both biological research and industrial bioengineering applications. In this work, we generated a set of isogenic auxotrophic strains with decreased non-homologous end joining for targeted DNA incorporation. Genome sequencing, assembly, and annotation of this genetic background uncovers previously unidentified genes in Y. lipolytica. To complement these strains, we constructed plasmids with Y. lipolytica-optimized superfolder GFP for targeted overexpression and fluorescent tagging. We used these tools to build the "Yarrowia lipolytica Cell Atlas," a collection of strains with endogenous fluorescently tagged organelles in the same genetic background, in order to define organelle morphology in live cells.
Conclusions: These molecular and isogenetic tools are useful for live assessment of organelle-specific protein expression, and for localization of lipid biosynthetic enzymes or other proteins in Y. lipolytica. This work provides the Yarrowia community with tools for cell biology and metabolism research in Y. lipolytica for further development of biofuels and natural products.
C1 [Bredeweg, Erin L.; Baker, Scott E.] Environm Mol Sci Lab, Earth & Biol Sci Directorate, Richland, WA 99354 USA.
[Pomraning, Kyle R.; Dai, Ziyu] Pacific Northwest Natl Labs, Energy & Environm Directorate, Chem & Biol Proc Dev Grp, Richland, WA 99354 USA.
[Nielsen, Jens; Kerkhoven, Eduard J.] Chalmers, Dept Biol & Biol Engn, Syst & Synthet Biol, Gothenburg, Sweden.
[Nielsen, Jens] Tech Univ Denmark, Ctr Biosustainabil, Novo Nordisk Fdn, Horsholm, Denmark.
[Bredeweg, Erin L.; Baker, Scott E.] Battelle EMSL, Dept Energy, 3335 Innovat Blvd, Richland, WA 99354 USA.
RP Bredeweg, EL; Baker, SE (reprint author), Battelle EMSL, Dept Energy, 3335 Innovat Blvd, Richland, WA 99354 USA.
EM erin.bredeweg@pnnl.gov; scott.baker@pnnl.gov
OI Bredeweg, Erin/0000-0001-7827-8342
FU U.S. Department of Energy (DOE), Office of Science, Office of Biological
and Environmental Research (OBER), Genomic Science program
[DE-SC0008744]; William Wiley postdoctoral fellowship
FX This material is based upon work supported by the U.S. Department of
Energy (DOE), Office of Science, Office of Biological and Environmental
Research (OBER), Genomic Science program, under Award Number
DE-SC0008744. Support was also provided by a William Wiley postdoctoral
fellowship.
NR 137
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U1 4
U2 4
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1754-6834
J9 BIOTECHNOL BIOFUELS
JI Biotechnol. Biofuels
PD JAN 3
PY 2017
VL 10
AR 2
DI 10.1186/s13068-016-0687-7
PG 22
WC Biotechnology & Applied Microbiology; Energy & Fuels
SC Biotechnology & Applied Microbiology; Energy & Fuels
GA EK3RA
UT WOS:000393842400002
PM 28066508
ER
PT J
AU Li, M
Pu, YQ
Yoo, CG
Gjersing, E
Decker, SR
Doeppke, C
Shollenberger, T
Tschaplinski, TJ
Engle, NL
Sykes, RW
Davis, MF
Baxter, HL
Mazarei, M
Fu, CX
Dixon, RA
Wang, ZY
Stewart, CN
Ragauskas, AJ
AF Li, Mi
Pu, Yunqiao
Yoo, Chang Geun
Gjersing, Erica
Decker, Stephen R.
Doeppke, Crissa
Shollenberger, Todd
Tschaplinski, Timothy J.
Engle, Nancy L.
Sykes, Robert W.
Davis, Mark F.
Baxter, Holly L.
Mazarei, Mitra
Fu, Chunxiang
Dixon, Richard A.
Wang, Zeng-Yu
Stewart, C. Neal, Jr.
Ragauskas, Arthur J.
TI Study of traits and recalcitrance reduction of field-grown COMT
down-regulated switchgrass
SO BIOTECHNOLOGY FOR BIOFUELS
LA English
DT Article
DE Switchgrass; Caffeic acid O-methyltransferase; Biomass recalcitrance;
Enzymatic hydrolysis; Lignin; Cellulose accessibility
ID LIGNOCELLULOSIC BIOMASS; ENZYMATIC-HYDROLYSIS; SIMONS STAIN; CELLULOSIC
BIOMASS; LIGNIN CONTENT; DILUTE-ACID; PRETREATMENT; SUBSTRATE; POPULUS;
ETHANOL
AB Background: The native recalcitrance of plants hinders the biomass conversion process using current biorefinery techniques. Down-regulation of the caffeic acid O-methyltransferase (COMT) gene in the lignin biosynthesis pathway of switchgrass reduced the thermochemical and biochemical conversion recalcitrance of biomass. Due to potential environmental influences on lignin biosynthesis and deposition, studying the consequences of physicochemical changes in field-grown plants without pretreatment is essential to evaluate the performance of lignin-altered plants. We determined the chemical composition, cellulose crystallinity and the degree of its polymerization, molecular weight of hemicellulose, and cellulose accessibility of cell walls in order to better understand the fundamental features of why biomass is recalcitrant to conversion without pretreatment. The most important is to investigate whether traits and features are stable in the dynamics of field environmental effects over multiple years.
Results: Field-grown COMT down-regulated plants maintained both reduced cell wall recalcitrance and lignin content compared with the non-transgenic controls for at least 3 seasons. The transgenic switchgrass yielded 35-84% higher total sugar release (enzymatic digestibility or saccharification) from a 72-h enzymatic hydrolysis without pretreatment and also had a 25-32% increase in enzymatic sugar release after hydrothermal pretreatment. The COMT-silenced switchgrass lines had consistently lower lignin content, e.g., 12 and 14% reduction for year 2 and year 3 growing season, respectively, than the control plants. By contrast, the transgenic lines had 7-8% more xylan and galactan contents than the wild-type controls. Gel permeation chromatographic results revealed that the weight-average molecular weights of hemicellulose were 7-11% lower in the transgenic than in the control lines. In addition, we found that silencing of COMT in switchgrass led to 20-22% increased cellulose accessibility as measured by the Simons' stain protocol. No significant changes were observed on the arabinan and glucan contents, cellulose crystallinity, and cellulose degree of polymerization between the transgenic and control plants. With the 2-year comparative analysis, both the control and transgenic lines had significant increases in lignin and glucan contents and hemicellulose molecular weight across the growing seasons.
Conclusions: The down-regulation of COMT in switchgrass resulting in a reduced lignin content and biomass recalcitrance is stable in a field-grown trial for at least three seasons. Among the determined affecting factors, the reduced biomass recalcitrance of the COMT-silenced switchgrass, grown in the field conditions for two and three seasons, was likely related to the decreased lignin content and increased biomass accessibility, whereas the cellulose crystallinity and degree of its polymerization and hemicellulose molecular weights did not contribute to the reduction of recalcitrance significantly. This finding suggests that lignin down-regulation in lignocellulosic feedstock confers improved saccharification that translates from greenhouse to field trial and that lignin content and biomass accessibility are two significant factors for developing a reduced recalcitrance feedstock by genetic modification.
C1 [Li, Mi; Pu, Yunqiao; Yoo, Chang Geun; Tschaplinski, Timothy J.; Engle, Nancy L.; Baxter, Holly L.; Mazarei, Mitra; Dixon, Richard A.; Wang, Zeng-Yu; Stewart, C. Neal, Jr.; Ragauskas, Arthur J.] ORNL, BESC, Oak Ridge, TN 37830 USA.
[Li, Mi; Pu, Yunqiao; Yoo, Chang Geun; Tschaplinski, Timothy J.; Engle, Nancy L.; Ragauskas, Arthur J.] ORNL, BioSci Div, Oak Ridge, TN 37830 USA.
[Li, Mi; Pu, Yunqiao; Yoo, Chang Geun; Tschaplinski, Timothy J.; Engle, Nancy L.; Ragauskas, Arthur J.] UT ORNL Joint Inst Biol Sci, Oak Ridge, TN 37830 USA.
[Decker, Stephen R.; Doeppke, Crissa; Shollenberger, Todd] NREL, Biosci Ctr, Golden, CO USA.
[Sykes, Robert W.; Davis, Mark F.] NREL, Natl Bioenergy Ctr, Golden, CO USA.
[Baxter, Holly L.; Mazarei, Mitra; Stewart, C. Neal, Jr.] Univ Tennessee, Dept Plant Sci, Knoxville, TN USA.
[Fu, Chunxiang; Wang, Zeng-Yu] Samuel Roberts Noble Fdn Inc, Forage Improvement Div, Ardmore, OK USA.
[Dixon, Richard A.] Univ North Texas, BioDiscovery Inst, Denton, TX 76203 USA.
[Dixon, Richard A.] Univ North Texas, Dept Biol Sci, Denton, TX 76203 USA.
[Ragauskas, Arthur J.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Ragauskas, Arthur J.] Univ Tennessee, Dept Forestry Wildlife & Fisheries, Knoxville, TN 37996 USA.
RP Ragauskas, AJ (reprint author), ORNL, BESC, Oak Ridge, TN 37830 USA.; Ragauskas, AJ (reprint author), ORNL, BioSci Div, Oak Ridge, TN 37830 USA.; Ragauskas, AJ (reprint author), UT ORNL Joint Inst Biol Sci, Oak Ridge, TN 37830 USA.; Ragauskas, AJ (reprint author), Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.; Ragauskas, AJ (reprint author), Univ Tennessee, Dept Forestry Wildlife & Fisheries, Knoxville, TN 37996 USA.
EM aragausk@utk.edu
OI Engle, Nancy/0000-0003-0290-7987
FU BioEnergy Science Center, a U.S. Department of Energy Bioenergy Research
Center - Office of Biological and Environmental Research in the DOE
Office of Science; U.S. Government [DE-AC05-00OR22725]
FX This work was supported by the BioEnergy Science Center, a U.S.
Department of Energy Bioenergy Research Center supported by the Office
of Biological and Environmental Research in the DOE Office of Science.
This manuscript has been authored by a contractor of the U.S. Government
under Contract No. DE-AC05-00OR22725.
NR 43
TC 0
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U1 5
U2 5
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1754-6834
J9 BIOTECHNOL BIOFUELS
JI Biotechnol. Biofuels
PD JAN 3
PY 2017
VL 10
AR 12
DI 10.1186/s13068-016-0695-7
PG 12
WC Biotechnology & Applied Microbiology; Energy & Fuels
SC Biotechnology & Applied Microbiology; Energy & Fuels
GA EK3RA
UT WOS:000393842400012
PM 28053668
ER
PT J
AU Zienkiewicz, K
Zienkiewicz, A
Poliner, E
Du, ZY
Vollheyde, K
Herrfurth, C
Marmon, S
Farre, EM
Feussner, I
Benning, C
AF Zienkiewicz, Krzysztof
Zienkiewicz, Agnieszka
Poliner, Eric
Du, Zhi-Yan
Vollheyde, Katharina
Herrfurth, Cornelia
Marmon, Sofia
Farre, Eva M.
Feussner, Ivo
Benning, Christoph
TI Nannochloropsis, a rich source of diacylglycerol acyltransferases for
engineering of triacylglycerol content in different hosts
SO BIOTECHNOLOGY FOR BIOFUELS
LA English
DT Article
DE Nannochloropsis oceanica; Microalgae; DGAT; Triacylglycerol; Lipid
storage; Lipid droplets
ID FATTY-ACID-COMPOSITION; CHLAMYDOMONAS-REINHARDTII; ACYL-COA;
ARABIDOPSIS-THALIANA; NITROGEN DEPRIVATION; LIPID-SYNTHESIS;
BIOSYNTHESIS; ACCUMULATION; METABOLISM; REVEALS
AB Background: Photosynthetic microalgae are considered a viable and sustainable resource for biofuel feedstocks, because they can produce higher biomass per land area than plants and can be grown on non-arable land. Among many microalgae considered for biofuel production, Nannochloropsis oceanica (CCMP1779) is particularly promising, because following nutrient deprivation it produces very high amounts of triacylglycerols (TAG). The committed step in TAG synthesis is catalyzed by acyl-CoA: diacylglycerol acyltransferase (DGAT). Remarkably, a total of 13 putative DGAT-encoding genes have been previously identified in CCMP1779 but most have not yet been studied in detail.
Results: Based on their expression profile, six out of 12 type-2 DGAT-encoding genes (NoDGTT1-NoDGTT6) were chosen for their possible role in TAG biosynthesis and the respective cDNAs were expressed in a TAG synthesis-deficient mutant of yeast. Yeast expressing NoDGTT5 accumulated TAG to the highest level. Over-expression of NoDGTT5 in CCMP1779 grown in N-replete medium resulted in levels of TAG normally observed only after N deprivation. Reduced growth rates accompanied NoDGTT5 over-expression in CCMP1779. Constitutive expression of NoDGTT5 in Arabidopsis thaliana was accompanied by increased TAG content in seeds and leaves. A broad substrate specificity for NoDGTT5 was revealed, with preference for unsaturated acyl groups. Furthermore, NoDGTT5 was able to successfully rescue the Arabidopsis tag1-1 mutant by restoring the TAG content in seeds.
Conclusions: Taken together, our results identified NoDGTT5 as the most promising gene for the engineering of TAG synthesis in multiple hosts among the 13 DGAT-encoding genes of N. oceanica CCMP1779. Consequently, this study demonstrates the potential of NoDGTT5 as a tool for enhancing the energy density in biomass by increasing TAG content in transgenic crops used for biofuel production.
C1 [Zienkiewicz, Krzysztof; Zienkiewicz, Agnieszka; Du, Zhi-Yan; Benning, Christoph] Michigan State Univ, US Dept Energy, Plant Res Lab, E Lansing, MI 48824 USA.
[Zienkiewicz, Krzysztof; Zienkiewicz, Agnieszka; Vollheyde, Katharina; Herrfurth, Cornelia; Marmon, Sofia; Feussner, Ivo] Georg August Univ, Albrecht von Haller Inst Plant Sci, Dept Plant Biochem, D-37073 Gottingen, Germany.
[Zienkiewicz, Agnieszka; Benning, Christoph] Michigan State Univ, Great Lakes Bioenergy Ctr, E Lansing, MI 48824 USA.
[Poliner, Eric] Michigan State Univ, Cell & Mol Biol Program, E Lansing, MI 48824 USA.
[Marmon, Sofia] Swedish Univ Agr Sci, Dept Plant Breeding, Alnarp, Sweden.
[Farre, Eva M.; Benning, Christoph] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA.
[Feussner, Ivo] Georg August Univ, Gottingen Ctr Mol Biosci GZMB, Dept Plant Biochem, D-37073 Gottingen, Germany.
[Feussner, Ivo] Georg August Univ, ICASEC, Dept Plant Biochem, D-37073 Gottingen, Germany.
[Benning, Christoph] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA.
RP Zienkiewicz, K (reprint author), Michigan State Univ, US Dept Energy, Plant Res Lab, E Lansing, MI 48824 USA.
EM kzienki@uni-goettingen.de
OI ZIENKIEWICZ, KRZYSZTOF/0000-0002-8525-9569
FU People Programme (Marie Curie Actions) of the European Union's Seventh
Framework Programme FP7 under REA Grant [627266]; Chemical Sciences,
Geosciences, and Biosciences Division, Office of Basic Energy Sciences,
Office of Science, US Department of Energy [DE-FG02-91ER20021]; US
Department of Energy-Great Lakes Bioenergy Research Center Cooperative
Agreement [DE-FC02-07ER64494]; Michigan State University AgBioResearch;
National Science Foundation [IOS-1354721]
FX The research leading to these results has received funding from the
People Programme (Marie Curie Actions) of the European Union's Seventh
Framework Programme FP7/2007-2013/under REA Grant Agreement No [627266]
supporting KZ. It reflects only the author's view and the Union is not
liable for any use that may be made of the information contained
therein. Additional support was provided by grants from the Chemical
Sciences, Geosciences, and Biosciences Division, Office of Basic Energy
Sciences, Office of Science, US Department of Energy
(DE-FG02-91ER20021), the US Department of Energy-Great Lakes Bioenergy
Research Center Cooperative Agreement DE-FC02-07ER64494, and Michigan
State University AgBioResearch, to CB. The work of EP and EMF was funded
by a grant from the National Science Foundation (IOS-1354721) to EMF.
NR 57
TC 0
Z9 0
U1 4
U2 4
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1754-6834
J9 BIOTECHNOL BIOFUELS
JI Biotechnol. Biofuels
PD JAN 3
PY 2017
VL 10
AR 8
DI 10.1186/s13068-016-0686-8
PG 20
WC Biotechnology & Applied Microbiology; Energy & Fuels
SC Biotechnology & Applied Microbiology; Energy & Fuels
GA EK3RA
UT WOS:000393842400008
PM 28070221
ER
PT J
AU Rog, O
Kohler, S
Dernburg, AF
AF Rog, Ofer
Kohler, Simone
Dernburg, Abby F.
TI The synaptonemal complex has liquid crystalline properties and spatially
regulates meiotic recombination factors
SO ELIFE
LA English
DT Article
ID CAENORHABDITIS-ELEGANS MEIOSIS; C. ELEGANS; CENTRAL REGION;
CROSSING-OVER; DROSOPHILA-MELANOGASTER; SYNAPTINEMAL COMPLEX;
CYTOLOGICAL ANALYSIS; CHROMOSOME SYNAPSIS; PHASE-SEPARATION; BLAPS
CRIBROSA
AB The synaptonemal complex (SC) is a polymer that spans similar to 100 nm between paired homologous chromosomes during meiosis. Its striated, periodic appearance in electron micrographs led to the idea that transverse filaments within this structure crosslink the axes of homologous chromosomes, stabilizing their pairing. SC proteins can also form polycomplexes, three-dimensional lattices that recapitulate the periodic structure of SCs but do not associate with chromosomes. Here we provide evidence that SCs and polycomplexes contain mobile subunits and that their assembly is promoted by weak hydrophobic interactions, indicative of a liquid crystalline phase. We further show that in the absence of recombination intermediates, polycomplexes recapitulate the dynamic localization of pro-crossover factors during meiotic progression, revealing how the SC might act as a conduit to regulate chromosome-wide crossover distribution. Properties unique to liquid crystals likely enable long-range signal transduction along meiotic chromosomes and underlie the rapid evolution of SC proteins.
C1 [Rog, Ofer; Kohler, Simone; Dernburg, Abby F.] Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA.
[Rog, Ofer; Kohler, Simone; Dernburg, Abby F.] Howard Hughes Med Inst, Chevy Chase, MD 20815 USA.
[Rog, Ofer] Univ Utah, Dept Biol, Salt Lake City, UT 84112 USA.
[Dernburg, Abby F.] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA.
[Dernburg, Abby F.] Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA.
RP Rog, O; Dernburg, AF (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA.; Rog, O; Dernburg, AF (reprint author), Howard Hughes Med Inst, Chevy Chase, MD 20815 USA.; Rog, O (reprint author), Univ Utah, Dept Biol, Salt Lake City, UT 84112 USA.; Dernburg, AF (reprint author), Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA.; Dernburg, AF (reprint author), Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA.
EM ofer.rog@utah.edu; afdernburg@lbl.gov
OI Dernburg, Abby/0000-0001-8037-1079
FU European Molecular Biology Organization [ALTF 564-2010]; Howard Hughes
Medical Institute; National Institutes of Health [GM065591]
FX European Molecular Biology Organization ALTF 564-2010 Ofer Rog; Howard
Hughes Medical Institute Abby F Dernburg; National Institutes of Health
GM065591 Abby F Dernburg; The funders had no role in study design, data
collection and interpretation, or the decision to submit the work for
publication.
NR 86
TC 0
Z9 0
U1 3
U2 3
PU ELIFE SCIENCES PUBLICATIONS LTD
PI CAMBRIDGE
PA SHERATON HOUSE, CASTLE PARK, CAMBRIDGE, CB3 0AX, ENGLAND
SN 2050-084X
J9 ELIFE
JI eLife
PD JAN 3
PY 2017
VL 6
AR e21455
DI 10.7554/eLife.21455
PG 26
WC Biology
SC Life Sciences & Biomedicine - Other Topics
GA EJ7KS
UT WOS:000393401200001
ER
PT J
AU Belikov, DA
Maksyutov, S
Ganshin, A
Zhuravlev, R
Deutscher, NM
Wunch, D
Feist, DG
Morino, I
Parker, RJ
Strong, K
Yoshida, Y
Bril, A
Oshchepkov, S
Boesch, H
Dubey, MK
Griffith, D
Hewson, W
Kivi, R
Mendonca, J
Notholt, J
Schneider, M
Sussmann, R
Velazco, VA
Aoki, S
AF Belikov, Dmitry A.
Maksyutov, Shamil
Ganshin, Alexander
Zhuravlev, Ruslan
Deutscher, Nicholas M.
Wunch, Debra
Feist, Dietrich G.
Morino, Isamu
Parker, Robert J.
Strong, Kimberly
Yoshida, Yukio
Bril, Andrey
Oshchepkov, Sergey
Boesch, Hartmut
Dubey, Manvendra K.
Griffith, David
Hewson, Will
Kivi, Rigel
Mendonca, Joseph
Notholt, Justus
Schneider, Matthias
Sussmann, Ralf
Velazco, Voltaire A.
Aoki, Shuji
TI Study of the footprints of short-term variation in XCO2 observed by
TCCON sites using NIES and FLEXPART atmospheric transport models
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID COLUMN CARBON-DIOXIDE; GOSAT TANSO-FTS; GREENHOUSE GASES;
SATELLITE-OBSERVATIONS; RETRIEVAL ALGORITHM; TRACER TRANSPORT; FLUX
INVERSIONS; SURFACE FLUX; CO2; VALIDATION
AB The Total Carbon Column Observing Network (TCCON) is a network of ground-based Fourier transform spectrometers (FTSs) that record near-infrared (NIR) spectra of the sun. From these spectra, accurate and precise observations of CO2 column-averaged dry-air mole fractions (denoted XCO2) are retrieved. TCCON FTS observations have previously been used to validate satellite estimations of XCO2; however, our knowledge of the short-term spatial and temporal variations in XCO2 surrounding the TCCON sites is limited.
In this work, we use the National Institute for Environmental Studies (NIES) Eulerian three-dimensional transport model and the FLEXPART (FLEXible PARTicle dispersion model) Lagrangian particle dispersion model (LPDM) to determine the footprints of short-term variations in XCO2 observed by operational, past, future and possible TCCON sites. We propose a footprint-based method for the collocation of satellite and TCCON XCO2 observations and estimate the performance of the method using the NIES model and five GOSAT (Greenhouse Gases Observing Satellite) XCO2 product data sets. Comparison of the proposed approach with a standard geographic method shows a higher number of collocation points and an average bias reduction up to 0.15 ppm for a subset of 16 stations for the period from January 2010 to January 2014. Case studies of the Darwin and Reunion Island sites reveal that when the footprint area is rather curved, non-uniform and significantly different from a geographical rectangular area, the differences between these approaches are more noticeable. This emphasises that the collocation is sensitive to local meteorological conditions and flux distributions.
C1 [Belikov, Dmitry A.; Maksyutov, Shamil; Morino, Isamu; Yoshida, Yukio] Natl Inst Environm Studies, Tsukuba, Ibaraki, Japan.
[Belikov, Dmitry A.] Natl Inst Polar Res, Tokyo, Japan.
[Belikov, Dmitry A.; Ganshin, Alexander; Zhuravlev, Ruslan] Tomsk State Univ, Fac Mech & Math, Tomsk, Russia.
[Ganshin, Alexander; Zhuravlev, Ruslan] Cent Aerol Observ, Dolgoprudnyi, Russia.
[Deutscher, Nicholas M.; Griffith, David; Velazco, Voltaire A.] Univ Wollongong, Sch Chem, Ctr Atmospher Chem, Wollongong, NSW, Australia.
[Deutscher, Nicholas M.; Notholt, Justus] Univ Bremen, Inst Environm Phys, Bremen, Germany.
[Wunch, Debra] CALTECH, Pasadena, CA 91125 USA.
[Feist, Dietrich G.] Max Planck Inst Biogeochem, Jena, Germany.
[Parker, Robert J.; Boesch, Hartmut; Hewson, Will] Univ Leicester, Earth Observat Sci, Leicester, Leics, England.
[Strong, Kimberly; Mendonca, Joseph] Univ Toronto, Dept Phys, Toronto, ON, Canada.
[Bril, Andrey; Oshchepkov, Sergey] Natl Acad Sci, Inst Phys, Minsk, Byelarus.
[Dubey, Manvendra K.] Los Alamos Natl Lab, Earth Syst Observat, Los Alamos, NM USA.
[Kivi, Rigel] Finnish Meteorol Inst, Sodankyla, Finland.
[Schneider, Matthias] CIAI, Agencia Estatal Meteorol AEMET, Santa Cruz De Tenerife, Spain.
[Sussmann, Ralf] Karlsruhe Inst Technol, IMK IFU, Garmisch Partenkirchen, Germany.
[Aoki, Shuji] Tohoku Univ, Grad Sch Sci, Ctr Atmospher & Ocean Studies, Sendai, Miyagi, Japan.
[Belikov, Dmitry A.] Hokkaido Univ, Fac Environm Earth Sci, Sapporo, Hokkaido, Japan.
RP Belikov, DA (reprint author), Natl Inst Environm Studies, Tsukuba, Ibaraki, Japan.; Belikov, DA (reprint author), Natl Inst Polar Res, Tokyo, Japan.; Belikov, DA (reprint author), Tomsk State Univ, Fac Mech & Math, Tomsk, Russia.; Belikov, DA (reprint author), Hokkaido Univ, Fac Environm Earth Sci, Sapporo, Hokkaido, Japan.
EM dmitry.belikov@ees.hokudai.ac.jp
RI Belikov, Dmitry/I-9877-2016; Schneider, Matthias/B-1441-2013; Dubey,
Manvendra/E-3949-2010; Morino, Isamu/K-1033-2014; Notholt,
Justus/P-4520-2016; Boesch, Hartmut/G-6021-2012; Feist,
Dietrich/B-6489-2013; Maksyutov, Shamil/G-6494-2011
OI Dubey, Manvendra/0000-0002-3492-790X; Morino, Isamu/0000-0003-2720-1569;
Notholt, Justus/0000-0002-3324-885X; Feist,
Dietrich/0000-0002-5890-6687; Maksyutov, Shamil/0000-0002-1200-9577
NR 45
TC 0
Z9 0
U1 7
U2 7
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.
PD JAN 3
PY 2017
VL 17
IS 1
BP 143
EP 157
DI 10.5194/acp-17-143-2017
PG 15
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA EI0XJ
UT WOS:000392198600004
ER
PT J
AU Krotee, P
Rodriguez, JA
Sawaya, MR
Cascio, D
Reyes, FE
Shi, D
Hattne, J
Nannenga, BL
Oskarsson, ME
Philipp, S
Griner, S
Jiang, L
Glabe, CG
Westermark, GT
Gonen, T
Eisenberg, DS
AF Krotee, Pascal
Rodriguez, Jose A.
Sawaya, Michael R.
Cascio, Duilio
Reyes, Francis E.
Shi, Dan
Hattne, Johan
Nannenga, Brent L.
Oskarsson, Marie E.
Philipp, Stephan
Griner, Sarah
Jiang, Lin
Glabe, Charles G.
Westermark, Gunilla T.
Gonen, Tamir
Eisenberg, David S.
TI Atomic structures of fibrillar segments of hIAPP suggest tightly mated
beta-sheets are important or cytotoxicity
SO ELIFE
LA English
DT Article
ID ISLET AMYLOID POLYPEPTIDE; TYPE-2 DIABETES-MELLITUS; SOLID-STATE NMR;
BROMIDE MTT REDUCTION; AMYLIN GENE S20G; TRANSGENIC MICE; CELL
APOPTOSIS; MACROMOLECULAR CRYSTALLOGRAPHY; INTRACELLULAR
AMYLOIDOGENESIS; PROTEIN STRUCTURES
AB hIAPP fibrils are associated with Type-II Diabetes, but the link of hIAPP structure to islet cell death remains elusive. Here we observe that hIAPP fibrils are cytotoxic to cultured pancreatic beta-cells, leading us to determine the structure and cytotoxicity of protein segments composing the amyloid spine of hIAPP. Using the cryoEM method MicroED, we discover that one segment, 19-29 S20G, forms pairs of beta-sheets mated by a dry interface that share structural features with and are similarly cytotoxic to full-length hIAPP fibrils. In contrast, a second segment, 15-25 WT, forms non-toxic labile beta-sheets. These segments possess different structures and cytotoxic effects, however, both can seed full-length hIAPP, and cause hIAPP to take on the cytotoxic and structural features of that segment. These results suggest that protein segment structures represent polymorphs of their parent protein and that segment 19-29 S20G may serve as a model for the toxic spine of hIAPP.
C1 [Krotee, Pascal; Rodriguez, Jose A.; Sawaya, Michael R.; Cascio, Duilio; Griner, Sarah; Eisenberg, David S.] Univ Calif Los Angeles, Howard Hughes Med Inst, Dept Biol Chem, Los Angeles, CA 90024 USA.
[Krotee, Pascal; Rodriguez, Jose A.; Sawaya, Michael R.; Cascio, Duilio; Griner, Sarah; Eisenberg, David S.] Univ Calif Los Angeles, Dept Chem & Biochem, 405 Hilgard Ave, Los Angeles, CA 90024 USA.
[Krotee, Pascal; Jiang, Lin; Eisenberg, David S.] Univ Calif Los Angeles, Inst Mol Biol, Los Angeles, CA 90024 USA.
[Krotee, Pascal; Rodriguez, Jose A.; Sawaya, Michael R.; Cascio, Duilio; Griner, Sarah; Eisenberg, David S.] Univ Calif Los Angeles, UCLA DOE Inst, Los Angeles, CA 90095 USA.
[Reyes, Francis E.; Shi, Dan; Hattne, Johan; Nannenga, Brent L.; Gonen, Tamir] Howard Hughes Med Inst, Janelia Res Campus, Ashburn, VA USA.
[Oskarsson, Marie E.; Westermark, Gunilla T.] Uppsala Univ, Dept Med Cell Biol, Uppsala, Sweden.
[Philipp, Stephan; Glabe, Charles G.] Univ Calif Irvine, Dept Mol Biol & Biochem, Irvine, CA 92717 USA.
[Jiang, Lin] Univ Calif Los Angeles, David Geffen Sch Med, Dept Neurol, Los Angeles, CA 90095 USA.
[Jiang, Lin] Univ Calif Los Angeles, BRI, Los Angeles, CA USA.
[Glabe, Charles G.] King Abdulaziz Univ, Dept Biochem, Fac Sci, Jeddah, Saudi Arabia.
[Glabe, Charles G.] King Abdulaziz Univ, King Fahd Med Res Ctr, Expt Biochem Unit, Jeddah, Saudi Arabia.
RP Krotee, P; Eisenberg, DS (reprint author), Univ Calif Los Angeles, Howard Hughes Med Inst, Dept Biol Chem, Los Angeles, CA 90024 USA.; Krotee, P; Eisenberg, DS (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, 405 Hilgard Ave, Los Angeles, CA 90024 USA.; Krotee, P; Eisenberg, DS (reprint author), Univ Calif Los Angeles, Inst Mol Biol, Los Angeles, CA 90024 USA.; Krotee, P; Eisenberg, DS (reprint author), Univ Calif Los Angeles, UCLA DOE Inst, Los Angeles, CA 90095 USA.
EM pkrotee@ucla.edu; david@mbi.ucla.edu
FU National Institutes of Health [R01 AG029430]
FX National Institutes of Health R01 AG029430 Pascal Krotee Jose A
Rodriguez Michael R Sawaya Duilio Cascio
NR 108
TC 0
Z9 0
U1 9
U2 9
PU ELIFE SCIENCES PUBLICATIONS LTD
PI CAMBRIDGE
PA SHERATON HOUSE, CASTLE PARK, CAMBRIDGE, CB3 0AX, ENGLAND
SN 2050-084X
J9 ELIFE
JI eLife
PD JAN 3
PY 2017
VL 6
DI 10.7554/eLife.19273
PG 26
WC Biology
SC Life Sciences & Biomedicine - Other Topics
GA EI0SW
UT WOS:000392186000001
ER
PT J
AU Blair, SL
MacMillan, AC
Drozd, GT
Goldstein, AH
Chu, RK
Pasa-Tolic, L
Shaw, JB
Tolic, N
Lin, P
Laskin, J
Laskin, A
Nizkorodov, SA
AF Blair, Sandra L.
MacMillan, Amanda C.
Drozd, Greg T.
Goldstein, Allen H.
Chu, Rosalie K.
Pasa-Tolic, Ljiljana
Shaw, Jared B.
Tolic, Nikola
Lin, Peng
Laskin, Julia
Laskin, Alexander
Nizkorodov, Sergey A.
TI Molecular Characterization of Organosulfur Compounds in Biodiesel and
Diesel Fuel Secondary Organic Aerosol
SO ENVIRONMENTAL SCIENCE & TECHNOLOGY
LA English
DT Article
ID IONIZATION-MASS-SPECTROMETRY; CHEMICAL-CHARACTERIZATION; PARTICULATE
MATTER; OXIDATION-PRODUCTS; GASOLINE VEHICLES; SULFUR-DIOXIDE;
ALPHA-PINENE; RESOLUTION; GAS; SO2
AB Secondary organic aerosol (SOA), formed in the photooxidation of diesel fuel, biodiesel fuel, and 20% biodiesel fuel/80% diesel fuel mixture, are prepared under high-NOx conditions in the presenth and absence of sulfur dioxide (SO2), ammonia (NH3), and relative humidity (RH). The composition of condensed-phase organic compounds in SOA- is measured using several complementary techniques including aerosol mass spectrometry (AMS), high-resolution nanospray desorption electrospray ionization mass spectrometry (nano-DESI/HRMS), arid ultrahigh resolution and mass accuracy 21T Fourier transform ion cyclotron resonance mass spectrometry (21T FT-ICR MS). Results demonstratethat sulfuric acid and condensed organosulfur species formed in photooxidation experiments with SO2 are present in the SOA particle. Fewer organosulfur species are formed in the high humidity experiMents, performed at RH 90%, in comparison with experiments done under dry conditions. There is a strong overlap of organosulfur species observed in this study with previous field and chamber studies of SOA. Many MS peaks of organosulfates (R-OS(O)(2)OH) previously designated as biogenic,or of unknown origin in field studies might have originated from anthropogenic sources, such as photooxidation of hydrocarbons present in diesel and biodiesel fuel.
C1 [Blair, Sandra L.; MacMillan, Amanda C.; Nizkorodov, Sergey A.] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA.
[Drozd, Greg T.; Goldstein, Allen H.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA.
[Chu, Rosalie K.; Pasa-Tolic, Ljiljana; Shaw, Jared B.; Tolic, Nikola; Lin, Peng; Laskin, Alexander] Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA.
[Laskin, Julia] Pacific Northwest Natl Lab, Phys Sci Div, Richland, WA 99354 USA.
RP Nizkorodov, SA (reprint author), Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA.
EM nizkorod@uci.edu
RI Laskin, Alexander/I-2574-2012; Laskin, Julia/H-9974-2012; Nizkorodov,
Sergey/I-4120-2014
OI Laskin, Alexander/0000-0002-7836-8417; Laskin,
Julia/0000-0002-4533-9644; Nizkorodov, Sergey/0000-0003-0891-0052
FU NSF [AGS-1227579, MRI-0923323]; U.S. Department of Commerce, National
Oceanic and Atmospheric Administration through Climate Program Office's
AC4 program [NA13OAR4310066/NA13OAR4310062]; Office of Science, Office
of Basic Energy Sciences, of the U.S. Department of Energy
[DE-AC02-05CH11231]; Office of Biological and Environmental Research of
the U.S. DOE; US DOE [DEAC06-76RL0 1830]
FX S.B. acknowledges support from the NSF grant AGS-1227579. P.L., A.L.,
J.L., A.M., and S.N. acknowledge support by the U.S. Department of
Commerce, National Oceanic and Atmospheric Administration through
Climate Program Office's AC4 program, award
NA13OAR4310066/NA13OAR4310062. The AMS instrument was acquired with the
NSF grant MRI-0923323. GD and AG acknowledge use of the Chemical
Dynamics Beamline 9.0.2. at the Advanced Light Source at LBNL 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. Mass
spectrometry measurements were performed at the W.R. Wiley Environmental
Molecular Sciences Laboratory (EMSL), a national scientific user
facility located at PNNL, and sponsored by the Office of Biological and
Environmental Research of the U.S. DOE. PNNL is operated for US DOE by
Battelle Memorial Institute under Contract No. DEAC06-76RL0 1830.
NR 58
TC 0
Z9 0
U1 23
U2 23
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0013-936X
EI 1520-5851
J9 ENVIRON SCI TECHNOL
JI Environ. Sci. Technol.
PD JAN 3
PY 2017
VL 51
IS 1
BP 119
EP 127
DI 10.1021/acs.est.6b03304
PG 9
WC Engineering, Environmental; Environmental Sciences
SC Engineering; Environmental Sciences & Ecology
GA EG8ZR
UT WOS:000391346900014
PM 28005381
ER
PT J
AU Pestana, LR
Kolluri, K
Head-Gordon, T
Lammers, LN
AF Pestana, Luis Ruiz
Kolluri, Kedarnath
Head-Gordon, Teresa
Lammers, Laura Nielsen
TI Direct Exchange Mechanism for Interlayer Ions in Non-Swelling Clays
SO ENVIRONMENTAL SCIENCE & TECHNOLOGY
LA English
DT Article
ID CESIUM-ADSORPTION; LAYER-SILICATES; SORPTION; VERMICULITE; PHLOGOPITE;
DIFFUSION; FIXATION; MINERALS; ILLITE; INTERSTRATIFICATION
AB The mobility of radiocesium in the environment is largely mediated by cation exchange in micaceous clays, in particular Illite-a non-swelling clay mineral that naturally contains interlayer K+ and has high affinity for Cs+. Although exchange of interlayer K+ for Cs+ is nearly thermodynamically nonselective, recent experiments show that direct, anhydrous Cs+-K+ exchange is kinetically viable and leads to the formation of phase-separated interlayers through a mechanism that remains unclear. Here) using classical atomistic simulations and density functional theory calculations, we identify a molecular-scale positive feedback mechanism in which exchange of the larger Cs+ for the smaller K+ significantly lowers the migration barrier of neighboring K+, allowing exchange to propagate rapidly once initiated at the clay edge. Barrier lowering upon slight increase in layer spacing (similar to 0.7 angstrom) during Cs+ exchange is an example of "chemical-mechanical coupling" that likely explains the observed sharp exchange fronts leading to interstratification. Interestingly, we find that these features are thermodynamically favored even in the absence of a heterogeneous layer charge distribution.
C1 [Pestana, Luis Ruiz; Head-Gordon, Teresa] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Kolluri, Kedarnath; Lammers, Laura Nielsen] Lawrence Berkeley Natl Lab, Earth & Environm Sci Area, Berkeley, CA 94720 USA.
[Head-Gordon, Teresa] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Head-Gordon, Teresa] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA.
[Head-Gordon, Teresa] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA.
[Head-Gordon, Teresa] Univ Calif Berkeley, Dept Biomol Engn, Berkeley, CA 94720 USA.
[Lammers, Laura Nielsen] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA.
RP Lammers, LN (reprint author), Lawrence Berkeley Natl Lab, Earth & Environm Sci Area, Berkeley, CA 94720 USA.; Lammers, LN (reprint author), Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA.
EM lnlammers@berkeley.edu
FU U.S. Department of Energy [DE-AC02-05CH11231]; Office of Science of the
U.S. Department of Energy [DE-AC02-05CH11231]
FX The Laboratory Directed Research and Development Program of Lawrence
Berkeley National Laboratory supported this work under U.S. Department
of Energy Contract No. DE-AC02-05CH11231. This research used resources
of the National Energy Research Scientific Computing Center, a DOE
Office of Science User Facility supported by the Office of Science of
the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.
NR 64
TC 0
Z9 0
U1 19
U2 19
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0013-936X
EI 1520-5851
J9 ENVIRON SCI TECHNOL
JI Environ. Sci. Technol.
PD JAN 3
PY 2017
VL 51
IS 1
BP 393
EP 400
DI 10.1021/acs.est.6b04747
PG 8
WC Engineering, Environmental; Environmental Sciences
SC Engineering; Environmental Sciences & Ecology
GA EG8ZR
UT WOS:000391346900043
ER
PT J
AU Cheshire, MC
Stack, AG
Carey, JW
Anovitz, LM
Prisk, TR
Ilaysky, J
AF Cheshire, Michael C.
Stack, Andrew G.
Carey, J. William
Anovitz, Lawrence M.
Prisk, Timothy R.
Ilaysky, Jan
TI Wellbore Cement Porosity Evolution in Response to Mineral Alteration
during CO2 Flooding
SO ENVIRONMENTAL SCIENCE & TECHNOLOGY
LA English
DT Article
ID GEOLOGIC SEQUESTRATION CONDITIONS; ANGLE NEUTRON-SCATTERING;
X-RAY-SCATTERING; PORTLAND-CEMENT; FRACTAL DIMENSION; CARBONATED BRINE;
PORE STRUCTURE; PERMEABILITY; INTEGRITY; PASTE
AB Mineral reactions during CO2 sequestration will change the pore-size distribution and pore surface characteristics, complicating permeability and storage security predictions. In this paper, we report a small/wide angle scattering study of wellbore cement that has been exposed to carbon dioxide for three decades. We have constructed detailed contour maps that describe local porosity distributions and the mineralogy of the sample and relate these quantities to the carbon dioxide reaction front on the cement. We find that the initial bimodal distribution of pores in the cement, 1-2 and 10-20 nm, is affected differently during the course of carbonation reactions. Initial dissolution of cement phases occurs in the 10-20 nm pores and leads to the development of new pore spaces that are eventually sealed by CaCO3 precipitation, leading to a loss of gel and capillary nanopores, smoother pore surfaces, and reduced porosity. This suggests that during extensive carbonation of wellbore cement, the cement becomes less permeable because of carbonate mineral precipitation within the pore space. Additionally, the loss of gel and capillary nanoporosities will reduce the reactivity of cement with CO2 due to reactive surface area loss. This work demonstrates the importance of understanding not only changes in total porosity but also how the distribution of porosity evolves with reaction that affects permeability.
C1 [Cheshire, Michael C.; Stack, Andrew G.; Anovitz, Lawrence M.; Prisk, Timothy R.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Carey, J. William] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Ilaysky, Jan] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Cheshire, MC (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM cheshiremc@ornl.gov
OI Cheshire, Michael/0000-0003-1792-6881; Prisk,
Timothy/0000-0002-7943-5175
FU Center for Nanoscale Control of Geologic CO2; Energy Frontier Research
Center - U.S. Department of Energy (DOE), Office of Science, Office of
Basic Energy Sciences [DE-AC02-05CH11231]; DOE Office of Science
[DE-AC02-06CH113.57]; DOE National Energy Technology Laboratory (NETL)
[FE-371-14-FY16]
FX This work was primarily supported by the Center for Nanoscale Control of
Geologic CO2, an Energy Frontier Research Center funded by
the U.S. Department of Energy (DOE), Office of Science, Office of Basic
Energy Sciences, under Award DE-AC02-05CH11231. This research used
resources of the Advanced Photon Source, a DOE Office of Science User
Facility operated for the DOE Office of Science by Argonne National
Laboratory under Contract DE-AC02-06CH113.57. J.W.C. acknowledges
support from the DOE National Energy Technology Laboratory (NETL) under
Grant FE-371-14-FY16, which is managed and administered by Los Alamos
National Laboratory and funded by DOE/NETL and cost/sharing partners.
He-ion microscopy was conducted at the Center for Nanophase Materials
Sciences, which is a DOE Office of Science User Facility. The authors
thank Larry Lake for providing production data.
NR 56
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PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0013-936X
EI 1520-5851
J9 ENVIRON SCI TECHNOL
JI Environ. Sci. Technol.
PD JAN 3
PY 2017
VL 51
IS 1
BP 692
EP 698
DI 10.1021/acs.est.6b03290
PG 7
WC Engineering, Environmental; Environmental Sciences
SC Engineering; Environmental Sciences & Ecology
GA EG8ZR
UT WOS:000391346900076
PM 27958703
ER
PT J
AU Conroy, NA
Zavarin, M
Kersting, AB
Powell, BA
AF Conroy, Nathan A.
Zavarin, Mavrik
Kersting, Annie B.
Powell, Brian A.
TI Effect of Natural Organic Matter on Plutonium Sorption to Goethite
SO ENVIRONMENTAL SCIENCE & TECHNOLOGY
LA English
DT Article
ID AQUEOUS-SOLUTION INTERFACE; FULVIC-ACID; HUMIC-ACID; MINERAL SURFACES;
IONIC-STRENGTH; ADSORPTION; REDUCTION; COMPLEXES; FRACTIONATION; WATER
AB The effect of citric acid (CA), desferrioxamine B (DFOB), fulvic acid (FA), and humic acid (HA) on plutonium (Pu) sorption to goethite was studied as a function of organic carbon concentration and pH using batch sorption experiments at 5 mgC.L-1 and 50 mgC.L-1 natural organic matter (NOM), 10(-9)-10(-10) M Pu-238, and 0.1 g.L-1 goethite concentrations, at pH 3, 5, 7, and 9. Low sorption of ligands coupled with strong Pu complexation decreased Pu sorption at pH 5 and 7, relative to a ligand-free system. Conversely, CA, FA, and HA increased Pu sorption to goethite at pH 3, suggesting ternary complex formation or, in the case of humic acid, incorporation into HA aggregates. Mechanisms for ternary complex formation were characterized by Fourier transform infrared spectroscopy in the absence of Pu. CA and FA demonstrated clear surface interactions at pH 3, HA appeared unchanged suggesting HA aggregates had formed, and no DFOB interactions were observed. Plutonium sorption decreased in the presence of DFOB (relative to a ligand free system) at all pH values examined. Thus, DFOB does not appear to facilitate formation of ternary Pu-DFOB-goethite complexes. At pH 9, Pu sorption in the presence of all NOM increased relative to pH 5 and 7; speciation models attributed this to Pu(IV) hydrolysis competing with ligand complexation, increasing sorption. The results indicate that in simple Pu-NOM-goethite ternary batch systems, NOM will decrease Pu sorption to goethite at all but particularly low pH conditions.
C1 [Conroy, Nathan A.; Powell, Brian A.] Clemson Univ, Dept Environm Engn & Earth Sci, Clemson, SC 29634 USA.
[Zavarin, Mavrik; Kersting, Annie B.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Glenn T Seaborg Inst, 7000 East Ave, Livermore, CA 94550 USA.
RP Powell, BA (reprint author), Rich Environm Lab, 342 Comp Court, Anderson, SC 29625 USA.
EM bpowell@clemson.edu
FU Office of Biological and Environmental Research of the U.S. Department
of Energy [SCW1053]
FX This research is funded by the Office of Biological and Environmental
Research of the U.S. Department of Energy as part of the Subsurface
Biogeochemical Research Program under Work Proposal Number SCW1053,
Subsurface Biogeochemistry of Actinides.
NR 54
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PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0013-936X
EI 1520-5851
J9 ENVIRON SCI TECHNOL
JI Environ. Sci. Technol.
PD JAN 3
PY 2017
VL 51
IS 1
BP 699
EP 708
DI 10.1021/acs.est.6b03587
PG 10
WC Engineering, Environmental; Environmental Sciences
SC Engineering; Environmental Sciences & Ecology
GA EG8ZR
UT WOS:000391346900077
PM 27935282
ER
PT J
AU Emery, I
Mueller, S
Qin, ZC
Dunn, JB
AF Emery, Isaac
Mueller, Steffen
Qin, Zhangcai
Dunn, Jennifer B.
TI Evaluating the Potential of Marginal Land for Cellulosic Feedstock
Production and Carbon Sequestration in the United States
SO ENVIRONMENTAL SCIENCE & TECHNOLOGY
LA English
DT Article
ID GREENHOUSE-GAS EMISSIONS; BIOENERGY PRODUCTION; BIOFUEL PRODUCTION;
PROFITABILITY; OPPORTUNITIES; SOILS; CORN
AB Land availability for growing feedstocks at scale is a crucial concern for the bioenergy industry. Feedstock production on land not well-suited to growing conventional crops, or marginal land, is often promoted as ideal, although there is a poor understanding of the qualities, quantity, and distribution of marginal lands in the United States. We examine the spatial distribution of land complying with several key marginal land definitions at the United States county, agro-ecological zone, and national scales, and compare the ability of both marginal land and land cover data sets to identify regions for feedstock production. We conclude that very few land parcels comply with multiple definitions of marginal land. Furthermore, to examine possible carbon-flow implications of feedstock production on land that could be considered marginal per multiple definitions, we model soil carbon changes upon transitions from marginal cropland, grassland, and cropland pastureland to switchgrass production for three marginal land-rich counties. Our findings suggest that total soil organic carbon changes per county are small, and generally positive, and can influence life-cycle greenhouse gas emissions of switchgrass ethanol.
C1 [Emery, Isaac] Air Force Inst Technol, Dept Syst Engn & Management, Wright Patterson AFB, OH 45433 USA.
[Mueller, Steffen] Univ Illinois, Energy Resources Ctr, Chicago, IL 60607 USA.
[Qin, Zhangcai; Dunn, Jennifer B.] Argonne Natl Lab, Div Energy Syst, Lemont, IL 60439 USA.
RP Dunn, JB (reprint author), Argonne Natl Lab, Div Energy Syst, Lemont, IL 60439 USA.
EM jdunn@anl.gov
OI Emery, Isaac/0000-0002-8757-2698
FU Bioenergy Technologies Office (BETO) of the Office of Energy Efficiency
and Renewable Energy of the United States Department of Energy
[DE-AC02-06CH113.57]; Postgraduate Research Participation Program at the
U.S. Air Force Institute of Technology
FX We thank Max Burnette and Charles Linville at Ploughman Analytics for
their extensive contributions to the GIS analyses. We also acknowledge
Rose Hart for many helpful discussions of data analysis and
visualization and Michael Wang for helpful discussions. This work was
supported by the Bioenergy Technologies Office (BETO) of the Office of
Energy Efficiency and Renewable Energy of the United States Department
of Energy, under contract DE-AC02-06CH113.57. This research was
supported in part by an appointment to the Postgraduate Research
Participation Program at the U.S. Air Force Institute of Technology
administered by the Oak Ridge Institute for Science and Education
through an interagency agreement between the U.S. Department of Energy
and USAFIT. We thank Kristen Johnson, Alicia Lindauer, and Zia Haq of
BETO for support and guidance.
NR 42
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PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0013-936X
EI 1520-5851
J9 ENVIRON SCI TECHNOL
JI Environ. Sci. Technol.
PD JAN 3
PY 2017
VL 51
IS 1
BP 733
EP 741
DI 10.1021/acs.est.6b04189
PG 9
WC Engineering, Environmental; Environmental Sciences
SC Engineering; Environmental Sciences & Ecology
GA EG8ZR
UT WOS:000391346900081
PM 27976872
ER
PT J
AU Ackerman, CM
Lee, S
Chang, CJ
AF Ackerman, Cheri M.
Lee, Sumin
Chang, Christopher J.
TI Analytical Methods for Imaging Metals in Biology: From Transition Metal
Metabolism to Transition Metal Signaling
SO ANALYTICAL CHEMISTRY
LA English
DT Review
ID PLASMA-MASS SPECTROMETRY; RAY-FLUORESCENCE MICROSCOPY; LA-ICP-MS;
INTESTINAL COPPER ABSORPTION; LASER-ABLATION; LIVING CELLS; IN-VIVO;
LABILE IRON; BRAIN-TISSUE; METALLOPROTEIN CRYSTALLOGRAPHY
C1 [Ackerman, Cheri M.; Lee, Sumin; Chang, Christopher J.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Chang, Christopher J.] Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA.
[Chang, Christopher J.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA.
[Chang, Christopher J.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Chang, CJ (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Chang, CJ (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA.; Chang, CJ (reprint author), Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA.; Chang, CJ (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
EM chrischang@berkeley.edu
FU National Institutes of Health [GM 79465]; Fannie and John Hertz
Foundation Graduate Fellowship; Chemical Biology Training Grant from the
NIH [T32 GM066698]
FX We thank the National Institutes of Health (Grant GM 79465) for
supporting our work on metal imaging probes. C.M.A. has been supported
by a Fannie and John Hertz Foundation Graduate Fellowship as well as by
a Chemical Biology Training Grant from the NIH (Grant T32 GM066698).
C.J.C. is an Investigator of the Howard Hughes Medical Institute.
NR 212
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PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0003-2700
EI 1520-6882
J9 ANAL CHEM
JI Anal. Chem.
PD JAN 3
PY 2017
VL 89
IS 1
BP 22
EP 41
DI 10.1021/acs.analchem.6b04631
PG 20
WC Chemistry, Analytical
SC Chemistry
GA EG8ZO
UT WOS:000391346600003
PM 27976855
ER
PT J
AU Yan, J
Zhou, MW
Gilbert, JD
Wolff, JJ
Somogyi, A
Pedder, RE
Quintyn, RS
Morrison, LJ
Easterling, ML
Pasa-Tolic, L
Wysocki, VH
AF Yan, Jing
Zhou, Mowei
Gilbert, Joshua D.
Wolff, Jeremy J.
Somogyi, Arpad
Pedder, Randall E.
Quintyn, Royston S.
Morrison, Lindsay J.
Easterling, Michael L.
Pasa-Tolic, Ljiljana
Wysocki, Vicki H.
TI Surface-Induced Dissociation of Protein Complexes in a Hybrid Fourier
Transform Ion Cyclotron Resonance Mass Spectrometer
SO ANALYTICAL CHEMISTRY
LA English
DT Article
ID MACROMOLECULAR ASSEMBLIES; ELECTROSPRAY-IONIZATION; DYNAMIC
HARMONIZATION; PEPTIDE IONS; AXIAL-FIELD; GAS-PHASE; CELL; RESOLUTION;
INSTRUMENT; QUATERNARY
AB Mass spectrometry continues to-develop as a valuable tool in the analysis, of proteins and protein complexes. In protein complex mass spectrometry studios, surface-induced dissociation (SID) has been successfully applied in quadrupole time-of--flight (QTOF) instruments. SID provides structural information on noncovalent protein complexes that is complementary to other techniques. However, the mass resolution of Q: TOF instruments can limit the information that can. obtained for protein complexes by SID. Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) provides ultrahigh resolution and ultrahigh: mass accuracy measurements. In this study, an SID device was designed and successfully installed an a hybrid FT-ICE instrument in place of the standard gas collision cell. 'The SID-FT-ICR platform has been tested with several protein complex systems (homooligorners, a hetorooligomer, and a protein ligarrd complex, ranging from 53 to 85 lcDa), and the results are consistent with data previously acquired on QTOF platforms, matching predictions from known- protein interface information. SID fragments with, the same m/z but different charge states,are Well-resolved based on distinct spacing between adjacent isotope peaks, and the addition of metal,cations,and ligands can-alSo be isotopically resolved with the ultrahigh mass resolution available in' FT-ICR.
C1 [Yan, Jing; Gilbert, Joshua D.; Quintyn, Royston S.; Morrison, Lindsay J.; Wysocki, Vicki H.] Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA.
[Zhou, Mowei; Pasa-Tolic, Ljiljana] Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA.
[Wolff, Jeremy J.; Easterling, Michael L.] Bruker Corp, Billerica, MA 01821 USA.
[Somogyi, Arpad] Ohio State Univ, OSU Mass Spectrometry & Prote Facil, Columbus, OH 43210 USA.
[Pedder, Randall E.] Ardara Technol LP, Ardara, PA 15615 USA.
RP Wysocki, VH (reprint author), Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA.
EM wysocki.11@osu.edu
OI Zhou, Mowei/0000-0003-3575-3224
FU National Science Foundation [NSF DBI 1455654]; NIH [1S10OD018507]; EMSL,
a DOE Office of Science User Facility - Office of Biological and
Environmental Research
FX The authors acknowledge Dr. Micah T. Nelp and Dr. Vahe Bandarian from
the University of Utah for kindly providing the TNH sample. The project
is supported by the National Science Foundation (NSF DBI 1455654) and
NIH (1S10OD018507; ICR purchase). A portion of the research was funded
by EMSL, a DOE Office of Science User Facility sponsored by the Office
of Biological and Environmental Research and located at Pacific
Northwest National Laboratory.
NR 38
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U1 4
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PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0003-2700
EI 1520-6882
J9 ANAL CHEM
JI Anal. Chem.
PD JAN 3
PY 2017
VL 89
IS 1
BP 895
EP 901
DI 10.1021/acs.analchem.6b03986
PG 7
WC Chemistry, Analytical
SC Chemistry
GA EG8ZO
UT WOS:000391346600080
PM 27977147
ER
PT J
AU Berry, KAZ
Barkley, RM
Berry, JJ
Hankin, JA
Hoyes, E
Browns, JM
Murphy, RC
AF Berry, Karin A. Zemski
Barkley, Robert M.
Berry, Joseph J.
Hankin, Joseph A.
Hoyes, Emmy
Browns, Jeffery M.
Murphy, Robert C.
TI Tandem Mass Spectrometry in Combination with Product Ion Mobility for
the Identification of Phospholipids
SO ANALYTICAL CHEMISTRY
LA English
DT Article
ID COLLISIONAL ACTIVATION; SHOTGUN LIPIDOMICS; LIPIDS;
GLYCEROPHOSPHOETHANOLAMINE; STRATEGIES
AB Concerted tandem and traveling wave ion mobility mass spectrometry (CTS analysis) is a unique method that results in a four-dimensional data set including nominal precursor ion mass, product ion mobility, accurate mass of product ion, and ion abundance. This nontargeted lipidomics CTS approach was applied in both positive- and negative-ion mode to phospholipids present in human serum, and the data set was used to evaluate the value of product ion mobility in identifying lipids in a complex mixture. It was determined that the combination of diagnostic product ions and unique collisional cross-section values of product ions is a powerful tool in the structural identification of lipids in a complex biological sample.
C1 [Berry, Karin A. Zemski; Barkley, Robert M.; Hankin, Joseph A.; Murphy, Robert C.] Univ Colorado Denver, Dept Pharmacol, Mail Stop 8303,12801 E 17th Ave, Aurora, CO 80045 USA.
[Berry, Joseph J.] Natl Renewable Energy Lab, 15013 Denver W Pkwy, Golden, CO 80401 USA.
[Hoyes, Emmy; Browns, Jeffery M.] Waters Corp, Altrincham Rd, Wilmslow SK9 4AX, Cheshire, England.
RP Murphy, RC (reprint author), Univ Colorado Denver, Dept Pharmacol, Mail Stop 8303,12801 E 17th Ave, Aurora, CO 80045 USA.
EM Robert.Murphy@ucdenver.edu
OI Brown, Jeffery/0000-0001-8569-7174; zemski berry,
karin/0000-0002-7089-691X; Barkley, Robert/0000-0003-4711-6361
FU National Institute of Environmental Health Sciences of the National
Institutes of Health [ES022172]; National Renewable Energy Laboratory
via the U.S. Department of Energy [DE-AC36-08GO28308DOE]
FX This work was supported by a grant from the National Institute of
Environmental Health Sciences of the National Institutes of Health
(ES022172) (to K.Z.B., R.M.B., and R.C.M.) and does not necessarily
represent the official views of NIH. J.J.B. was supported by the
National Renewable Energy Laboratory via the U.S. Department of Energy
under Contract No. DE-AC36-08GO28308DOE.
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PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0003-2700
EI 1520-6882
J9 ANAL CHEM
JI Anal. Chem.
PD JAN 3
PY 2017
VL 89
IS 1
BP 916
EP 921
DI 10.1021/acs.analchem.6b04047
PG 6
WC Chemistry, Analytical
SC Chemistry
GA EG8ZO
UT WOS:000391346600083
PM 27958700
ER
PT J
AU Wang, ZY
Zhang, YY
Liu, BW
Wu, K
Thevuthasan, S
Baer, DR
Zhu, ZH
Yu, XY
Wang, FY
AF Wang, Zhaoying
Zhang, Yanyan
Liu, Bingwen
Wu, Kui
Thevuthasan, Suntharampillai
Baer, Donald R.
Zhu, Zihua
Yu, Xiao-Ying
Wang, Fuyi
TI In Situ Mass Spectrometric Monitoring of the Dynamic Electrochemical
Process at the Electrode-Electrolyte Interface: a SIMS Approach
SO ANALYTICAL CHEMISTRY
LA English
DT Article
ID ASCORBIC-ACID; TOF-SIMS; REACTION PRODUCTS; MECHANISM; ELECTROOXIDATION;
SURFACES; BEAMS; FILMS
AB The in situ molecular characterization of reaction intermediates and products at electrode electrolyte interfaces is central to mechanistic studies of complex electrochemical processes, yet a great challenge. The coupling of electrochemistry (EC) and mass spectrometry (MS) has seen rapid development and found broad applicability in tackling challenges in analytical and bioanalytical chemistry. However, few truly in situ and real-time EC-MS studies have been reported at electrode electrolyte interfaces. An innovative EC-MS coupling method named in situ liquid secondary ion mass spectrometry (SIMS) was recently developed by combining SIMS with a vacuum compatible microfluidic electrochemical device. Using this novel capability, we report the first in situ elucidation of the electro-oxidation mechanism of a biologically significant organic compound, ascorbic acid (AA), at the electrode electrolyte interface. The short-lived radical intermediate was successfully captured, which had not been detected directly before. Moreover, we demonstrated the power of this new technique in real-time monitoring of the formation and dynamic evolution of electrical double layers at the electrode electrolyte interface. This work suggests further promising applications of in situ liquid SIMS in studying more complex chemical and biological events at the electrode electrolyte interface.
C1 [Wang, Zhaoying; Zhang, Yanyan; Wu, Kui; Wang, Fuyi] Chinese Acad Sci, CAS Key Lab Analyt Chem Living Biosyst, Inst Chem, Beijing Natl Lab Mol Sci,Natl Ctr Mass Spectromet, Beijing 100190, Peoples R China.
[Wang, Zhaoying; Zhang, Yanyan; Thevuthasan, Suntharampillai; Baer, Donald R.; Zhu, Zihua] Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA.
[Liu, Bingwen; Yu, Xiao-Ying] Pacific Northwest Natl Lab, Earth & Biol Sci Directorate, Richland, WA 99354 USA.
RP Wang, FY (reprint author), Chinese Acad Sci, CAS Key Lab Analyt Chem Living Biosyst, Inst Chem, Beijing Natl Lab Mol Sci,Natl Ctr Mass Spectromet, Beijing 100190, Peoples R China.; Zhu, ZH (reprint author), Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA.; Yu, XY (reprint author), Pacific Northwest Natl Lab, Earth & Biol Sci Directorate, Richland, WA 99354 USA.
EM zihua.zhu@pnnl.gov; xiaoying.yu@pnnl.gov; fuyi.wang@iccas.ac.cn
RI Zhu, Zihua/K-7652-2012
FU NSFC [21127901, 21135006, 21321003]; Chemical Imaging Initiative;
Pacific Northwest National Laboratory (PNNL); PNNL Environmental and
Biological Directorate seed LDRD fund
FX F.W., Z.W., Y.Z., and K.W. thank the NSFC (Grant Nos. 21127901,
21135006, 21321003) for support. This work was partially supported by
the Chemical Imaging Initiative. Z.Z. thanks for support from an FY2016
open call LDRD fund of the Pacific Northwest National Laboratory (PNNL)
and X.-Y.Y. thanks the PNNL Environmental and Biological Directorate
seed LDRD fund. A U.S. Patent (#9274059) based on the electrochemical
SALVI invention by Battelle was granted on 03/01/2016. The work was
performed at EMSL, a national scientific user facility sponsored by the
Department of Energy's Office of Biological and Environmental Research
located at PNNL. We also thank Dr. Mark E. Bowden at EMSL and Prof.
Lijun Wan and Prof. Lanqun Mao at Institute of Chemistry, Chinese
Academy of Sciences, for stimulating discussion.
NR 39
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PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0003-2700
EI 1520-6882
J9 ANAL CHEM
JI Anal. Chem.
PD JAN 3
PY 2017
VL 89
IS 1
BP 960
EP 965
DI 10.1021/acs.analchem.6b04189
PG 6
WC Chemistry, Analytical
SC Chemistry
GA EG8ZO
UT WOS:000391346600089
PM 27936704
ER
PT J
AU da Jornada, FH
Qiu, DY
Louie, SG
AF da Jornada, Felipe H.
Qiu, Diana Y.
Louie, Steven G.
TI Nonuniform sampling schemes of the Brillouin zone for many-electron
perturbation-theory calculations in reduced dimensionality
SO PHYSICAL REVIEW B
LA English
DT Article
ID OPTICAL-PROPERTIES; HOLE EXCITATIONS; QUASI-PARTICLE; SEMICONDUCTORS;
INSULATORS
AB First-principles calculations based on many-electron perturbation theory methods, such as the ab initio GW and GW plus Bethe-Salpeter equation (GW-BSE) approach, are reliable ways to predict quasiparticle and optical properties of materials, respectively. However, these methods involve more care in treating the electronelectron interaction and are considerably more computationally demanding when applied to systems with reduced dimensionality, since the electronic confinement leads to a slower convergence of sums over the Brillouin zone due to a much more complicated screening environment that manifests in the " head" and " neck" elements of the dielectric matrix. Here we present two schemes to sample the Brillouin zone for GW and GW-BSE calculations: the nonuniform neck subsampling method and the clustered sampling interpolation method, which can respectively be used for a family of single-particle problems, such as GW calculations, and for problems involving the scattering of two-particle states, such as when solving the BSE. We tested these methods on several few-layer semiconductors and graphene and show that they perform a much more efficient sampling of the Brillouin zone and yield two to three orders of magnitude reduction in the computer time. These two methods can be readily incorporated into several ab initio packages that compute electronic and optical properties through the GW and GW-BSE approaches.
C1 [Louie, Steven G.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Louie, SG (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
EM sglouie@berkeley.edu
FU Center for Computational Study of Excited State Phenomena in Energy
Materials [DE-AC02-05CH11231]; NSF [DGE 1106400]; Office of Science of
the U.S. Department of Energy [DE-AC02-05CH11231]
FX This work was supported by the Center for Computational Study of Excited
State Phenomena in Energy Materials at the Lawrence Berkeley National
Laboratory, which is funded by the U.S. Department of Energy, Office of
Science, Basic Energy Sciences, Materials Sciences and Engineering
Division under Contract No. DE-AC02-05CH11231, as part of the
Computational Materials Sciences Program. D.Y.Q. acknowledges support
from the NSF Graduate Research Fellowship Grant No. DGE 1106400.
Computational resources have been provided from the National Energy
Research Scientific Computing Center (NERSC), a DOE Office of Science
User Facility supported by the Office of Science of the U.S. Department
of Energy under Contract No. DE-AC02-05CH11231.
NR 25
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U1 4
U2 4
PU AMER PHYSICAL SOC
PI COLLEGE PK
PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 2469-9950
EI 2469-9969
J9 PHYS REV B
JI Phys. Rev. B
PD JAN 3
PY 2017
VL 95
IS 3
AR 035109
DI 10.1103/PhysRevB.95.03109
PG 12
WC Physics, Condensed Matter
SC Physics
GA EG8LN
UT WOS:000391308600008
ER
PT J
AU Kochanczyk, M
Kocieniewski, P
Kozlowska, E
Jaruszewicz-Blonska, J
Sparta, B
Pargett, M
Albeck, JG
Hlavacek, WS
Lipniacki, T
AF Kochanczyk, Marek
Kocieniewski, Pawel
Kozlowska, Emilia
Jaruszewicz-Blonska, Joanna
Sparta, Breanne
Pargett, Michael
Albeck, John G.
Hlavacek, William S.
Lipniacki, Tomasz
TI Relaxation oscillations and hierarchy of feedbacks in MAPK signaling
SO SCIENTIFIC REPORTS
LA English
DT Article
ID PROTEIN-KINASE CASCADES; NEGATIVE-FEEDBACK; CELL FATE; RAS ACTIVATION;
EGF-RECEPTOR; ERK; MECHANISMS; NETWORKS; PATHWAY; PROLIFERATION
AB We formulated a computational model for a MAPK signaling cascade downstream of the EGF receptor to investigate how interlinked positive and negative feedback loops process EGF signals into ERK pulses of constant amplitude but dose-dependent duration and frequency. A positive feedback loop involving RAS and SOS, which leads to bistability and allows for switch-like responses to inputs, is nested within a negative feedback loop that encompasses RAS and RAF, MEK, and ERK that inhibits SOS via phosphorylation. This negative feedback, operating on a longer time scale, changes switch-like behavior into oscillations having a period of 1 hour or longer. Two auxiliary negative feedback loops, from ERK to MEK and RAF, placed downstream of the positive feedback, shape the temporal ERK activity profile but are dispensable for oscillations. Thus, the positive feedback introduces a hierarchy among negative feedback loops, such that the effect of a negative feedback depends on its position with respect to the positive feedback loop. Furthermore, a combination of the fast positive feedback involving slow-diffusing membrane components with slower negative feedbacks involving faster diffusing cytoplasmic components leads to local excitation/global inhibition dynamics, which allows the MAPK cascade to transmit paracrine EGF signals into spatially non-uniform ERK activity pulses.
C1 [Kochanczyk, Marek; Kocieniewski, Pawel; Jaruszewicz-Blonska, Joanna; Lipniacki, Tomasz] Polish Acad Sci, Inst Fundamental Technol Res, Warsaw, Poland.
[Kozlowska, Emilia] Silesian Tech Univ, Inst Automat Control, Gliwice, Poland.
[Sparta, Breanne; Pargett, Michael; Albeck, John G.] Univ Calif Davis, Dept Mol & Cellular Biol, Davis, CA 95616 USA.
[Hlavacek, William S.] Los Alamos Natl Lab, Div Theoret, Theoret Biol & Biophys Grp, Los Alamos, NM USA.
[Kozlowska, Emilia] Univ Helsinki, Genome Scale Biol, Fac Med, Res Programs Unit, Helsinki, Finland.
RP Kochanczyk, M; Lipniacki, T (reprint author), Polish Acad Sci, Inst Fundamental Technol Res, Warsaw, Poland.
EM mkochan@ippt.pan.pl; tlipnia@ippt.pan.pl
FU National Science Center (Poland) [2014/13/B/NZ2/03840,
2013/09/N/NZ2/02631, 2013/11/N/NZ2/02481]; WWTF [MA14-049]; National
Institutes of Health/National Institute of General Medical Sciences
[P50GM085273]; American Cancer Society [IRG-95-125-16]
FX This study is supported by National Science Center (Poland) grant
2014/13/B/NZ2/03840 (www.ncn.gov.pl) and WWTF grant MA14-049
(www.wwtf.at). MK is supported by National Science Center (Poland) grant
2013/09/N/NZ2/02631 (www.ncn.gov.pl). PK is supported by National
Science Center (Poland) grant 2013/11/N/NZ2/02481 (www.ncn.gov.pl). WSH
is supported by National Institutes of Health/National Institute of
General Medical Sciences grant P50GM085273
(www.nih.gov/www.nigms.nih.gov). MP, BS, and JGA are supported in part
by the American Cancer Society (IRG-95-125-16). The funders had no role
in study design, data collection and analysis, decision to publish, or
preparation of the manuscript.
NR 65
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U1 6
U2 6
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2045-2322
J9 SCI REP-UK
JI Sci Rep
PD JAN 3
PY 2017
VL 7
AR 38244
DI 10.1038/srep38244
PG 15
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA EG4OA
UT WOS:000391022400001
PM 28045041
ER
PT J
AU Li, J
Fan, C
Ding, J
Xue, S
Chen, Y
Li, Q
Wang, H
Zhang, X
AF Li, Jin
Fan, C.
Ding, J.
Xue, S.
Chen, Y.
Li, Q.
Wang, H.
Zhang, X.
TI In situ heavy ion irradiation studies of nanopore shrinkage and enhanced
radiation tolerance of nanoporous Au
SO SCIENTIFIC REPORTS
LA English
DT Article
ID TRANSMISSION ELECTRON-MICROSCOPE; HELIUM IMPLANTATION; NANOTWINNED
METALS; DAMAGE; NEUTRON; CLUSTERS; IRON; NANOLAYERS; ALLOYS; STEELS
AB High energy particle radiations induce severe microstructural damage in metallic materials. Nanoporous materials with a giant surface-to-volume ratio may alleviate radiation damage in irradiated metallic materials as free surface are defect sinks. Here we show, by using in situ Kr ion irradiation in a transmission electron microscope at room temperature, that nanoporous Au indeed has significantly improved radiation tolerance comparing with coarse-grained, fully dense Au. In situ studies show that nanopores can absorb and eliminate a large number of radiation-induced defect clusters. Meanwhile, nanopores shrink (self-heal) during radiation, and their shrinkage rate is pore size dependent. Furthermore, the in situ studies show dose-rate-dependent diffusivity of defect clusters. This study sheds light on the design of radiation-tolerant nanoporous metallic materials for advanced nuclear reactor applications.
C1 [Li, Jin] Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA.
[Fan, C.; Ding, J.; Li, Q.; Wang, H.; Zhang, X.] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA.
[Xue, S.; Zhang, X.] Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA.
[Chen, Y.] Los Alamos Natl Lab, MPA CINT, Los Alamos, NM 87545 USA.
[Wang, H.] Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA.
RP Zhang, X (reprint author), Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA.; Zhang, X (reprint author), Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA.
EM xzhang98@purdue.edu
RI Chen, Youxing/P-5006-2016
OI Chen, Youxing/0000-0003-1111-4495
FU NSF-DMR-Metallic Materials and Nanostructures Program [1643915];
Petroleum Research Foundation [53741 - ND10]; DoE-OBES [DE-SC0016337];
US Office of Naval Research (ONR) [N00014-16-1-2778]; DOE-Office of
Nuclear Energy
FX We acknowledge financial support by NSF-DMR-Metallic Materials and
Nanostructures Program under grant no. 1643915. JD is supported
financially by Petroleum Research Foundation # 53741 - ND10. S. Xue is
supported by DoE-OBES under grant no. DE-SC0016337. H.W. acknowledges
the support from the US Office of Naval Research (ONR,
N00014-16-1-2778). We also acknowledge the use of microscopes at the
Microscopy and Imaging Center at Texas A&M University and the DoE Center
for Integrated Nanotechnologies managed by Los Alamos National
Laboratory. The IVEM facility at Argonne National Laboratory is
supported by DOE-Office of Nuclear Energy.
NR 53
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U1 16
U2 16
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2045-2322
J9 SCI REP-UK
JI Sci Rep
PD JAN 3
PY 2017
VL 7
AR 39484
DI 10.1038/srep39484
PG 10
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA EG4PF
UT WOS:000391025500001
PM 28045044
ER
PT J
AU Zamiri, M
Anwar, F
Klein, BA
Rasoulof, A
Dawson, NM
Schuler-Sandy, T
Deneke, CF
Ferreira, SO
Cavallo, F
Krishna, S
AF Zamiri, Marziyeh
Anwar, Farhana
Klein, Brianna A.
Rasoulof, Amin
Dawson, Noel M.
Schuler-Sandy, Ted
Deneke, Christoph F.
Ferreira, Sukarno O.
Cavallo, Francesca
Krishna, Sanjay
TI Antimonide-based membranes synthesis integration and strain engineering
SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF
AMERICA
LA English
DT Article
DE antimonide; membranes; transfer; infrared; integration
ID OPTICAL-PROPERTIES; QUANTUM-WELLS; HOLE MOBILITY; SEMICONDUCTOR;
SUPERLATTICES; NANOMEMBRANE; PHOTODETECTORS; PERFORMANCE; TRANSISTORS;
SYSTEMS
AB Antimonide compounds are fabricated in membrane form to enable materials combinations that cannot be obtained by direct growth and to support strain fields that are not possible in the bulk. InAs/(InAs, Ga) Sb type II superlattices (T2SLs) with different in-plane geometries are transferred from a GaSb substrate to a variety of hosts, including Si, polydimethylsiloxane, and metal-coated substrates. Electron microscopy shows structural integrity of transferred membranes with thickness of 100 nm to 2.5 mu m and lateral sizes from 24 x 24 mu m(2) to 1 x 1 cm(2). Electron microscopy reveals the excellent quality of the membrane interface with the new host. The crystalline structure of the T2SL is not altered by the fabrication process, and a minimal elastic relaxation occurs during the release step, as demonstrated by X-ray diffraction and mechanical modeling. A method to locally strain-engineer antimonide-based membranes is theoretically illustrated. Continuum elasticity theory shows that up to similar to 3.5% compressive strain can be induced in an InSb quantum well through external bending. Photoluminescence spectroscopy and characterization of an IR photodetector based on InAs/GaSb bonded to Si demonstrate the functionality of transferred membranes in the IR range.
C1 [Zamiri, Marziyeh; Anwar, Farhana; Dawson, Noel M.; Cavallo, Francesca; Krishna, Sanjay] Univ New Mexico, Dept Elect & Comp Engn, Albuquerque, NM 87106 USA.
[Zamiri, Marziyeh; Anwar, Farhana; Rasoulof, Amin; Dawson, Noel M.; Cavallo, Francesca; Krishna, Sanjay] Univ New Mexico, Ctr High Technol Mat, Albuquerque, NM 87106 USA.
[Klein, Brianna A.] Sandia Natl Labs, Albuquerque, NM 87123 USA.
[Schuler-Sandy, Ted] Raytheon, Albuquerque, NM 87106 USA.
[Deneke, Christoph F.] Ctr Nacl Pesquisa Energia & Mat, Lab Nacl Nanotecnol, BR-13083100 Campinas, SP, Brazil.
[Ferreira, Sukarno O.] Univ Fed Vicosa, Dept Fis, BR-36570000 Vicosa, MG, Brazil.
RP Zamiri, M (reprint author), Univ New Mexico, Dept Elect & Comp Engn, Albuquerque, NM 87106 USA.; Zamiri, M (reprint author), Univ New Mexico, Ctr High Technol Mat, Albuquerque, NM 87106 USA.
EM marziyeh.zamiri@gmail.com; skrishna@chtm.unm.edu
RI Deneke, Christoph/C-6828-2008; Ferreira, Sukarno/E-1411-2011
OI Deneke, Christoph/0000-0002-8556-386X; Ferreira,
Sukarno/0000-0001-8174-0200
FU CNPq; LNLS; Fundacao de Amparo a Pesquisa do Estado de Sao Paulo
(FAPESP); Air Force Research Laboratory [FA9453-14-1-0248]; University
of New Mexico Microelectronics Endowed Chair
FX We thank Sharon Steely for her help editing the paper and Dr. Ying-Bin
Yang for his assistance in sample preparation via focused ion beam,
electron microscopy, and electron dispersion spectroscopy. M.Z. thanks
Vinita Dahiya and Dr. Alireza Kazemi for useful discussions. C.F.D. and
S.O.F. acknowledge CNPq and LNLS for partially funding their work at the
XRD2 beamline, and thank the beamline staff for their help and Sergio
Luiz Morelhao for his comments during data analysis. C.F.D. thanks
Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP) for
financial support. This work was supported by Air Force Research
Laboratory Grant FA9453-14-1-0248 and the University of New Mexico
Microelectronics Endowed Chair.
NR 58
TC 0
Z9 0
U1 7
U2 7
PU NATL ACAD SCIENCES
PI WASHINGTON
PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA
SN 0027-8424
J9 P NATL ACAD SCI USA
JI Proc. Natl. Acad. Sci. U. S. A.
PD JAN 3
PY 2017
VL 114
IS 1
BP E1
EP E8
DI 10.1073/pnas.1615645114
PG 8
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA EG5OM
UT WOS:000391093700001
PM 27986953
ER
PT J
AU Dale, JB
Smeesters, PR
Courtney, HS
Penfound, TA
Hohn, CM
Smith, JC
Baudry, JY
AF Dale, James B.
Smeesters, Pierre R.
Courtney, Harry S.
Penfound, Thomas A.
Hohn, Claudia M.
Smith, Jeremy C.
Baudry, Jerome Y.
TI Structure-based design of broadly protective group a streptococcal M
protein-based vaccines
SO VACCINE
LA English
DT Article
DE Group A streptococcal vaccine; M protein; Structure-based design;
Broadly neutralizing antibodies
ID STRUCTURE PREDICTION; GLOBAL BURDEN; PEP-FOLD; IMMUNOGENICITY; PYOGENES;
PEPTIDE; MECHANISMS; EPITOPES; DISEASE; BINDING
AB Background: A major obstacle to the development of broadly protective M protein-based group A streptococcal (GAS) vaccines is the variability within the N-terminal epitopes that evoke potent bactericidal antibodies. The concept of M type-specific protective immune responses has recently been challenged based on the observation that multivalent M protein vaccines elicited cross-reactive bactericidal antibodies against a number of non-vaccine M types of GAS. Additionally, a new "cluster-based" typing system of 175 M proteins identified a limited number of clusters containing closely related M proteins, In the current study, we used the emm cluster typing system, in combination with computational structure-based peptide modeling, as a novel approach to the design of potentially broadly protective M protein-based vaccines.
Methods: M protein sequences (AA 16-50) from the E4 cluster containing 17 emm types of GAS were analyzed using de novo 3-D structure prediction tools and the resulting structures subjected to chemical diversity analysis to identify sequences that were the most representative of the 3-D physicochemical properties of the M peptides in the cluster. Five peptides that spanned the range of physicochemical attributes of all 17 peptides were used to formulate synthetic and recombinant vaccines. Rabbit antisera were assayed for antibodies that cross-reacted with E4 peptides and whole bacteria by ELISA and for bactericidal activity against all E4G AS.
Results: The synthetic vaccine rabbit antisera reacted with all 17 E4 M peptides and demonstrated bactericidal activity against 15/17 E4G AS. A recombinant hybrid vaccine containing the same E4 peptides also elicited antibodies that cross-reacted with all E4 M peptides.
Conclusions: Comprehensive studies using structure-based design may result in a broadly protective M peptide vaccine that will elicit cluster-specific and emm type-specific antibody responses against the majority of clinically relevant emm types of GAS. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Dale, James B.; Courtney, Harry S.; Penfound, Thomas A.; Hohn, Claudia M.] Univ Tennessee, Ctr Hlth Sci, Dept Med, Memphis, TN 38163 USA.
[Dale, James B.] Univ Tennessee, Ctr Hlth Sci, Dept Microbiol Immunol & Biochem, Memphis, TN 38163 USA.
[Dale, James B.] Dept Vet Affairs Med Ctr, Memphis, TN USA.
[Smeesters, Pierre R.] Univ Libre Bruxelles, Acad Children Hosp Queen Fabiola, Dept Pediat, Brussels, Belgium.
[Smeesters, Pierre R.] Univ Libre Bruxelles, Mol Bacteriol Lab, Brussels, Belgium.
[Smeesters, Pierre R.] Murdoch Childrens Res Inst, Grp Streptococcus Res Grp A, Melbourne, Vic, Australia.
[Smeesters, Pierre R.] Univ Melbourne, Ctr Int Child Hlth, Melbourne, Vic, Australia.
[Smith, Jeremy C.; Baudry, Jerome Y.] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Oak Ridge, TN USA.
[Smith, Jeremy C.; Baudry, Jerome Y.] Univ Tennessee, Oak Ridge Natl Lab, Ctr Biophys Mol, Oak Ridge, TN 37831 USA.
RP Dale, JB (reprint author), Univ Tennessee, Hlth Sci Ctr, Div Infect Dis, 956 Court Ave,Suite H300, Memphis, TN 38163 USA.
EM jbdale@uthsc.edu
FU U.S.P.H.S. National Institutes of Health [AI-010085]
FX This work was supported by research funds from the U.S.P.H.S. National
Institutes of Health AI-010085 (J.B.D.).
NR 29
TC 0
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U1 4
U2 4
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0264-410X
EI 1873-2518
J9 VACCINE
JI Vaccine
PD JAN 3
PY 2017
VL 35
IS 1
BP 19
EP 26
DI 10.1016/j.vaccine.2016.11.065
PG 8
WC Immunology; Medicine, Research & Experimental
SC Immunology; Research & Experimental Medicine
GA EF7OC
UT WOS:000390517900003
PM 27890396
ER
PT J
AU Engelmann, X
Yao, SL
Farquhar, ER
Szilvasi, T
Kuhlmann, U
Hildebrandt, P
Driess, M
Ray, K
AF Engelmann, Xenia
Yao, Shenglai
Farquhar, Erik R.
Szilvasi, Tibor
Kuhlmann, Uwe
Hildebrandt, Peter
Driess, Matthias
Ray, Kallol
TI A New Domain of Reactivity for High-Valent Dinuclear [M(mu-O)(2)M']
Complexes in Oxidation Reactions
SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
LA English
DT Article
DE dioxygen activation; heterobimetallic complex; metal-oxo complexes; NIH
shift; nucleophilic oxidant
ID STRUCTURAL-CHARACTERIZATION; DIOXYGEN ACTIVATION; BIS(MU-OXO) COMPLEXES;
COPPER; LIGANDS; METAL; CORE; OXO; HYDROXYLATION; TEMPERATURE
AB The strikingly different reactivity of a series of homo-and heterodinuclear [(MIII)(mu-O)(2)(M-III)'](2+) (M = Ni; M'= Fe, Co, Ni and M = M'= Co) complexes with beta-diketiminate ligands in electrophilic and nucleophilic oxidation reactions is reported, and can be correlated to the spectroscopic features of the [(M-III)(mu-O)(2)(M-III)'](2+) core. In particular, the unprecedented nucleophilic reactivity of the symmetric [Ni-III(mu-O)(2)Ni-III](2+) complex and the decay of the asymmetric [Ni-III(mu-O)(2)Co-III](2+) core through aromatic hydroxylation reactions represent a new domain for high-valent bis(mu-oxido) dimetal reactivity.
C1 [Engelmann, Xenia; Ray, Kallol] Humboldt Univ, Dept Chem, Brook Taylor Str 2, D-12489 Berlin, Germany.
[Yao, Shenglai; Kuhlmann, Uwe; Hildebrandt, Peter; Driess, Matthias] Tech Univ Berlin, Dept Chem, Str 17 Juni 135, D-10623 Berlin, Germany.
[Farquhar, Erik R.] Brookhaven Natl Lab, Case Ctr Synchrotron Biosci, NSLS 2, Upton, NY 11973 USA.
[Szilvasi, Tibor] Budapest Univ Technol & Econ, Dept Inorgan & Analyt Chem, Szent Gellert Ter 4, H-1111 Budapest, Hungary.
RP Ray, K (reprint author), Humboldt Univ, Dept Chem, Brook Taylor Str 2, D-12489 Berlin, Germany.; Driess, M (reprint author), Tech Univ Berlin, Dept Chem, Str 17 Juni 135, D-10623 Berlin, Germany.
EM matthias.driess@tu-berlin.de; kallol.ray@chemie.hu-berlin.de
FU DFG (Cluster of Excellence " Unifying Concepts in Catalysis") [EXC
314-2]; Heisenberg Program of DFG; COST [CM1305]; New Szechenyi Plan
[TAMOP-4.2.2/B-10/1-2010-0009]; DOE Office of Science
[DE-AC02-76SF00515, DE-SC0012704]; NIH [P30-EB-009998]
FX Financial support from the DFG (Cluster of Excellence " Unifying
Concepts in Catalysis"; EXC 314-2) is gratefully acknowledged. K. R.
also thanks the Heisenberg Program of DFG for financial support. X. E.
and K. R. also thanks the COST action CM1305 (ECOSTBio). T. S. is
grateful for generous support by The New Szechenyi Plan TAMOP4.2.2/B-10/
1-2010-0009. XAS experiments were conducted at SSRL beamline 2-2
(SLACNational Accelerator Laboratory, USA), with support from the DOE
Office of Science (DE-AC02-76SF00515 and DE-SC0012704) and NIH
P30-EB-009998.
NR 32
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U1 3
U2 3
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1433-7851
EI 1521-3773
J9 ANGEW CHEM INT EDIT
JI Angew. Chem.-Int. Edit.
PD JAN 2
PY 2017
VL 56
IS 1
BP 297
EP 301
DI 10.1002/anie.201607611
PG 5
WC Chemistry, Multidisciplinary
SC Chemistry
GA EL8HP
UT WOS:000394861200044
PM 27906528
ER
PT J
AU Li, WM
Qu, XP
Alam, T
Yang, FH
Chang, W
Khan, J
Li, C
AF Li, Wenming
Qu, Xiaopeng
Alam, Tamanna
Yang, Fanghao
Chang, Wei
Khan, Jamil
Li, Chen
TI Enhanced flow boiling in microchannels through integrating multiple
micro-nozzles and reentry microcavities
SO APPLIED PHYSICS LETTERS
LA English
DT Article
ID CRITICAL HEAT-FLUX; FREQUENCY 2-PHASE OSCILLATIONS; PARALLEL
MICROCHANNELS; SURFACE MICROCHANNELS; NANOWIRES; COATINGS; WATER
AB In a microchannel system, a higher mass velocity can lead to enhanced flow boiling performances, but at a cost of two-phase pressure drop. It is highly desirable to achieve a high heat transfer rate and critical heat flux (CHF) exceeding 1 kW/cm(2) without elevating the pressure drop, particularly, at a reduced mass velocity. In this study, we developed a microchannel configuration that enables more efficient utilization of the coolant through integrating multiple microscale nozzles connected to auxiliary channels as well as microscale reentry cavities on sidewalls of main microchannels. We achieved a CHF of 1016 W/cm(2) with a 50% less mass velocity, i.e., 680 kg/m(2)s, compared to the two-nozzle configuration developed in our previous studies. Two primary enhancement mechanisms are: (a) the enhanced global liquid supply by four evenly distributed micronozzles, particularly near the outlet region and (b) the effective management of local dryout by the capillary flow-induced sustainable thin liquid film resulting from an array of microscale cavities. A significantly improved heat transfer coefficient of 131 kW/m(2) K at a mass velocity of 680 kg/m(2) s is attributed to the enhanced nucleate boiling, the established capillary/thin film evaporation, and the induced advection from the present microchannel configuration. All these significant enhancements have been achieved with a similar to 55% lower two-phase pressure drop. Published by AIP Publishing.
C1 [Li, Wenming; Qu, Xiaopeng; Alam, Tamanna; Chang, Wei; Khan, Jamil; Li, Chen] Univ South Carolina, Dept Mech Engn, Columbia, SC 29208 USA.
[Yang, Fanghao] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA.
RP Li, C (reprint author), Univ South Carolina, Dept Mech Engn, Columbia, SC 29208 USA.
EM LI01@cec.sc.edu
FU U.S. Department of Defense, Office of Naval Research [N000141210724];
National Science Foundation [ECS-0335765]
FX This work was supported by the U.S. Department of Defense, Office of
Naval Research under the Grant No. N000141210724 (Program Officer Dr.
Mark Spector). Devices were fabricated at Institute of Electronics and
Nanotechnology (IEN) in Georgia Tech, which are supported by the
National Science Foundation under the Grant No. ECS-0335765. SEM images
were taken at USC Microscopy Center.
NR 36
TC 0
Z9 0
U1 4
U2 4
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0003-6951
EI 1077-3118
J9 APPL PHYS LETT
JI Appl. Phys. Lett.
PD JAN 2
PY 2017
VL 110
IS 1
AR 014104
DI 10.1063/1.4973495
PG 5
WC Physics, Applied
SC Physics
GA EI9NI
UT WOS:000392834600052
ER
PT J
AU Marchevsky, M
Gourlay, SA
AF Marchevsky, M.
Gourlay, S. A.
TI Acoustic thermometry for detecting quenches in superconducting coils and
conductor stacks
SO APPLIED PHYSICS LETTERS
LA English
DT Article
ID MAGNETS; EMISSION; MODULI
AB Quench detection capability is essential for reliable operation and protection of superconducting magnets, coils, cables, and machinery. We propose a quench detection technique based on sensing local temperature variations in the bulk of a superconducting winding by monitoring its transient acoustic response. Our approach is primarily aimed at coils and devices built with high-temperature superconductor materials where quench detection using standard voltage-based techniques may be inefficient due to the slow velocity of quench propagation. The acoustic sensing technique is noninvasive, fast, and capable of detecting temperature variations of less than 1K in the interior of the superconductor cable stack in a 77K cryogenic environment. We show results of finite element modeling and experiments conducted on a model superconductor stack demonstrating viability of the technique for practical quench detection, discuss sensitivity limits of the technique, and its various applications. Published by AIP Publishing.
C1 [Marchevsky, M.; Gourlay, S. A.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Marchevsky, M (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
FU U.S. Department of Energy [DE-AC02-05CH11231]
FX This work was supported by the U.S. Department of Energy under Contract
No. DE-AC02-05CH11231.
NR 22
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0003-6951
EI 1077-3118
J9 APPL PHYS LETT
JI Appl. Phys. Lett.
PD JAN 2
PY 2017
VL 110
IS 1
AR 012601
DI 10.1063/1.4973466
PG 5
WC Physics, Applied
SC Physics
GA EI9NI
UT WOS:000392834600033
ER
PT J
AU Zhang, FX
Zhao, SJ
Jin, K
Bei, H
Popov, D
Park, C
Neuefeind, JC
Weber, WJ
Zhang, YW
AF Zhang, F. X.
Zhao, Shijun
Jin, Ke
Bei, H.
Popov, D.
Park, Changyong
Neuefeind, J. C.
Weber, W. J.
Zhang, Yanwen
TI Pressure-induced fcc to hcp phase transition in Ni-based high entropy
solid solution alloys
SO APPLIED PHYSICS LETTERS
LA English
DT Article
ID IRON; THERMODYNAMICS; VERSION; STRAIN; GIBBS2
AB A pressure-induced phase transition from the fcc to a hexagonal close-packed (hcp) structure was found in NiCoCrFe solid solution alloy starting at 13.5 GPa. The phase transition is very sluggish and the transition did not complete at similar to 40 GPa. The hcp structure is quenchable to ambient pressure. Only a very small amount (< 5%) of hcp phase was found in the isostructural NiCoCr ternary alloy up to the pressure of 45 GPa and no obvious hcp phase was found in NiCoCrFePd system till to 74 GPa. Ab initio Gibbs free energy calculations indicated the energy differences between the fcc and the hcp phases for the three alloys are very small, but they are sensitive to temperature. The critical transition pressure in NiCoCrFe varies from similar to 1 GPa at room temperature to similar to 6 GPa at 500 K.
C1 [Zhang, F. X.; Zhao, Shijun; Jin, Ke; Bei, H.; Weber, W. J.; Zhang, Yanwen] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Popov, D.; Park, Changyong] Carnegie Inst Sci, HPCAT, Geophys Lab, Argonne, IL 60439 USA.
[Neuefeind, J. C.] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA.
[Weber, W. J.; Zhang, Yanwen] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
RP Zhang, FX (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
EM zhangf@ornl.gov
RI Zhang, Fuxiang/P-7365-2015; Zhao, Shijun/E-1488-2017; Park,
Changyong/A-8544-2008;
OI Zhang, Fuxiang/0000-0003-1298-9795; Zhao, Shijun/0000-0003-0870-8153;
Park, Changyong/0000-0002-3363-5788; Weber, William/0000-0002-9017-7365;
Bei, Hongbin/0000-0003-0283-7990
FU Energy Dissipation to Defect Evolution (EDDE), an Energy Frontier
Research Center - U.S. Department of Energy, Office of Science, Basic
Energy of Sciences; DOE-NNSA [DE-NA0001974]; DOE-BES [DEFG02-99ER45775];
DOE Office of Science by the Argonne National Laboratory
[DE-AC02-06CH11357]
FX This work was supported as part of the Energy Dissipation to Defect
Evolution (EDDE), an Energy Frontier Research Center funded by the U.S.
Department of Energy, Office of Science, Basic Energy of Sciences.
Neutron diffraction measurements used resources at the Spallation
Neutron Source, a DOE Office of Science User Facility operated by the
Oak Ridge National Laboratory. The XRD measurement was performed at
HPCAT, which is supported by DOE-NNSA under Award No. DE-NA0001974 and
DOE-BES under Award No. DEFG02-99ER45775. The Advanced Photon Source is
a U.S. Department of Energy (DOE) Office of Science User Facility
operated for the DOE Office of Science by the Argonne National
Laboratory under Contract No. DE-AC02-06CH11357.
NR 41
TC 0
Z9 0
U1 16
U2 16
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0003-6951
EI 1077-3118
J9 APPL PHYS LETT
JI Appl. Phys. Lett.
PD JAN 2
PY 2017
VL 110
IS 1
AR 011902
DI 10.1063/1.4973627
PG 5
WC Physics, Applied
SC Physics
GA EI9NI
UT WOS:000392834600015
ER
PT J
AU Aryal, N
Reba, ML
AF Aryal, Niroj
Reba, Michele L.
TI Transport and transformation of nutrients and sediment in two
agricultural watersheds in Northeast Arkansas
SO AGRICULTURE ECOSYSTEMS & ENVIRONMENT
LA English
DT Article
DE Non-point source pollution; Agricultural drainage ditch; Surface water
quality; Nitrogen; Phosphorus and sediment load; Nutrients and sediment
load
ID GULF-OF-MEXICO; SUBSURFACE DRAINAGE; COASTAL-PLAIN; NITROGEN;
PHOSPHORUS; QUALITY; STREAM; MANAGEMENT; REMOVAL; NITRATE
AB Understanding pollutant transport at different spatial and temporal scales is crucial to agroecosystems management and planning. This study aimed to reduce the knowledge gap between edge-of-field and larger agricultural watersheds. Nutrients and sediment transport and transformation at two small agricultural watersheds, Little River Ditches Basin (LRDB) and Lower St. Francis Basin (LSFB), in Northeast Arkansas, were evaluated. Flow, nutrients, and sediment were measured at 3-5 instream locations in these two contrasting watersheds. These watersheds differed in primary crop, soil type, and size. Differences in sediment and nutrients loads were measured between the two watersheds primarily due to differences in cropping practices and soil type. LSFB was dominated by rice farms and had more pollutant load per unit area but lower concentrations for all measured parameters except nitrate, whereas LRDB was dominated by cotton farms and had less pollutant load per unit area but higher concentrations. Turbidity increased considerably at LSFB, but it did not increase or decrease at LRDB as water traveled downstream. The median nitrate-N concentration at LRDB increased from 1.64 to 2.34 mg L-1 as watershed size increased, in contrast to no increase at LSFB. Total phosphorus (TP) and soluble reactive phosphorus (SRP) concentrations remained constant, but ammonium-N decreased as the water traveled downstream in both watersheds. Nitrate-N were high in spring and late fall at both watersheds. The annual loss of nitrate-N was 9.6 and 8.6 kg ha(-1), sediment was 1604 and 1958 kg ha(-1), and SRP was 0.8 and 0.9 kg ha(-1), respectively from LRDB and LSFB. Source control in spring and late fall could be more effective in reducing agricultural pollution. Published by Elsevier B.V.
C1 [Aryal, Niroj; Reba, Michele L.] USDA ARS, Delta Water Management Res Unit, 504 Univ Loop E, Jonesboro, AR 72401 USA.
[Aryal, Niroj] USDA ARS, Oak Ridge Inst Sci & Educ, Delta Water Management Res Unit, 504 Univ Loop E, Jonesboro, AR 72401 USA.
RP Reba, ML (reprint author), USDA ARS, Delta Water Management Res Unit, 504 Univ Loop E, Jonesboro, AR 72401 USA.
EM michele.reba@ars.usda.gov
FU CEAP (Conservation Effect Assessment Project); U.S. Department of
Energy; USDA; DOE [DE-AC05-06OR23100]
FX This project was funded by CEAP (Conservation Effect Assessment
Project). Our appreciation to Richard Mitchell Smith and members of
Delta Water Management Research Unit, USDA-ARS, Jonesboro for research
assistance and Ecotoxicology Research Facility at Arkansas State
University for sample analysis. We sincerely thank two anonymous
reviewers and the editor for constructive comments on the manuscript.;
This research was supported in part by an appointment to the ARS
Participation Program administered by the Oak Ridge Institute for
Science and Education (ORISE) through an interagency agreement between
the U.S. Department of Energy and the USDA. ORISE is managed by ORAU
under DOE contract number DE-AC05-06OR23100. All opinions expressed in
this paper are the author's and do not necessarily reflect the policies
and views of USDA, ARS, DOE, or ORAU/ORISE.
NR 59
TC 0
Z9 0
U1 12
U2 12
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0167-8809
EI 1873-2305
J9 AGR ECOSYST ENVIRON
JI Agric. Ecosyst. Environ.
PD JAN 2
PY 2017
VL 236
BP 30
EP 42
DI 10.1016/j.agee.2016.11.006
PG 13
WC Agriculture, Multidisciplinary; Ecology; Environmental Sciences
SC Agriculture; Environmental Sciences & Ecology
GA EJ0GN
UT WOS:000392886700004
ER
PT J
AU Wang, JJ
Kang, QJ
Chen, L
Rahman, SS
AF Wang, Junjian
Kang, Qinjun
Chen, Li
Rahman, Sheik S.
TI Pore-scale lattice Boltzmann simulation of micro-gaseous flow
considering surface diffusion effect
SO INTERNATIONAL JOURNAL OF COAL GEOLOGY
LA English
DT Article
DE Lattice Boltzmann method; Adsorbed gas; Surface diffusion; Micro-gaseous
flow
ID SHALE GAS-RESERVOIRS; MICROCHANNEL FLOW; PERMEABILITY PREDICTION;
BOUNDARY-CONDITIONS; ADSORPTION; TRANSPORT; MODEL; NANOPORES; EQUATION;
METHANE
AB Recent studies have shown that adsorbed gas and its surface diffusion have profound influence on micro gaseous flow through organic pores in shale gas reservoirs. In this paper, a multiple-relaxation-time (MRT) LB model is adopted to estimate the apparent permeability of organic shale and a new boundary condition, which combines Langmuir adsorption theory with Maxwellian diffusive reflection boundary condition, is proposed to capture gas slip and surface diffusion of adsorbed gas. The simulation results match well with previous studies carried out using Molecular Dynamics (MD) and show that Maxwell slip boundary condition fails to characterize gas transport in the near wall region under the influence of the adsorbed gas. The total molar flux can be either enhanced or reduced depending on variations in adsorbed gas coverage and surface diffusion velocity. The effects of pore width, pressure as well as Langmuir properties on apparent permeability of methane transport in organic pores are further studied. It is found that the surface transport plays a significant role in determining the apparent permeability, and the variation of apparent permeability with pore size and pressure is affected by the adsorption and surface diffusion. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Wang, Junjian; Rahman, Sheik S.] Univ New S Wales, Sch Petr Engn, Sydney, NSW 2033, Australia.
[Kang, Qinjun; Chen, Li] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA.
[Chen, Li] Xi An Jiao Tong Univ, Sch Energy & Power Engn, Key Lab Thermo Fluid Sci & Engn MOE, Xian 710049, Peoples R China.
RP Rahman, SS (reprint author), Univ New S Wales, Sch Petr Engn, Sydney, NSW 2033, Australia.
EM sheik.rahman@unsw.edu.au
FU SCOPE; UNSW; LDRD program of LANL; China Scholarship Council (CSC);
National Nature Science Foundation of China [51406145, 51136004]; DOE
oil gas project
FX The authors thank the support from SCOPE, UNSW and the LDRD program of
LANL. J.W. thanks the financial support from the China Scholarship
Council (CSC). L.C. thanks the support from National Nature Science
Foundation of China (No. 51406145, 51136004), and Q.K. thanks the
support from a DOE oil & gas project.
NR 62
TC 1
Z9 1
U1 12
U2 12
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0166-5162
EI 1872-7840
J9 INT J COAL GEOL
JI Int. J. Coal Geol.
PD JAN 2
PY 2017
VL 169
BP 62
EP 73
DI 10.1016/j.coal.2016.11.013
PG 12
WC Energy & Fuels; Geosciences, Multidisciplinary
SC Energy & Fuels; Geology
GA EI5SX
UT WOS:000392556100005
ER
PT J
AU Simian, M
Bissell, MJ
AF Simian, Marina
Bissell, Mina J.
TI Organoids: A historical perspective of thinking in three dimensions
SO JOURNAL OF CELL BIOLOGY
LA English
DT Article
ID MAMMARY EPITHELIAL-CELLS; RECONSTITUTED BASEMENT-MEMBRANE; CASEIN
GENE-EXPRESSION; PLURIPOTENT STEM-CELLS; CULTIVATED IN-VITRO;
EXTRACELLULAR-MATRIX; FUNCTIONAL-DIFFERENTIATION; TRANSCRIPTIONAL
ENHANCER; BRANCHING MORPHOGENESIS; 3-DIMENSIONAL CULTURE
AB In the last ten years, there has been a dramatic surge in the number of publications where single or groups of cells are grown in substrata that have elements of basement membrane leading to the formation of tissue-like structures referred to as organoids. However, this field of research began many decades ago, when the pioneers of cell culture began to ask questions we still ask today: How does organogenesis occur? How do signals integrate to make such vastly different tissues and organs given that the sequence of the genome in our trillions of cells is identical? Here, we summarize how work over the past century generated the conceptual framework that has allowed us to make progress in the understanding of tissue-specific morphogenetic programs. The development of cell culture systems that provide accurate and physiologically relevant models are proving to be key in establishing appropriate platforms for the development of new therapeutic strategies.
C1 [Simian, Marina] Univ Nacl San Martin, Inst Nanosistemas, RA-1650 San Martin, Buenos Aires, Argentina.
[Bissell, Mina J.] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA.
RP Simian, M (reprint author), Univ Nacl San Martin, Inst Nanosistemas, RA-1650 San Martin, Buenos Aires, Argentina.; Bissell, MJ (reprint author), Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA.
EM msimian@unsam.edu.ar; mjbissell@lbl.gov
FU Instituto Nacional del Cancer, Ministerio de Salud de la Nacian,
Argentina; National Cancer Institute; U.S. Department of Energy; U.S.
Department of Defense; Breast Cancer Research Foundation
FX The writing of this article is supported by a grant awarded by the
Instituto Nacional del Cancer, Ministerio de Salud de la Nacian,
Argentina, to M. Simian. M.J. Bissell's research is supported by the
National Cancer Institute, the U.S. Department of Energy, the U.S.
Department of Defense, and the Breast Cancer Research Foundation.
NR 100
TC 2
Z9 2
U1 5
U2 5
PU ROCKEFELLER UNIV PRESS
PI NEW YORK
PA 950 THIRD AVE, 2ND FLR, NEW YORK, NY 10022 USA
SN 0021-9525
EI 1540-8140
J9 J CELL BIOL
JI J. Cell Biol.
PD JAN 2
PY 2017
VL 216
IS 1
BP 31
EP 40
DI 10.1083/jcb.201610056
PG 10
WC Cell Biology
SC Cell Biology
GA EI5TD
UT WOS:000392556800010
PM 28031422
ER
PT J
AU Gou, GY
Young, JS
Liu, X
Rondinelli, JM
AF Gou, Gaoyang
Young, Joshua
Liu, Xian
Rondinelli, James M.
TI Interplay of Cation Ordering and Ferroelectricity in Perovskite Tin
Iodides: Designing a Polar Halide Perovskite for Photovoltaic
Applications
SO INORGANIC CHEMISTRY
LA English
DT Article
ID FUNCTIONAL PERTURBATION-THEORY; SENSITIZED SOLAR-CELLS; AUGMENTED-WAVE
METHOD; PHASE-TRANSITIONS; CRYSTAL-CHEMISTRY; PSEUDOPOTENTIALS;
PERFORMANCE; OXIDES; LEAD; SEMICONDUCTOR
AB Owing to its ideal semiconducting band gap and good carrier transport properties, the fully inorganic perovskite CsSnI3 has been proposed as a visible-light absorber for photovoltaic (PV) applications. However, compared to the organic inorganic lead halide perovskite CH3NH3PbI3, CsSnI3 solar cells display very low energy conversion efficiency. In this work, we propose a potential route to improve the PV properties of CsSnI3. Using first-principles calculations, we examine the crystal structures and electronic properties of CsSnI3, including its structural polymorphs. Next, we purposefully order Cs and Rb cations on the A site to create the double perovskite (CsRb)Sn2I6. We find that a stable ferroelectric polarization arises from the nontrivial coupling between polar displacements and octahedral rotations of the SnI6 network. These ferroelectric double perovskites are predicted to have energy band gaps and carrier effective masses similar to those of CsSnI3. More importantly, unlike nonpolar CsSnI3, the electric polarization present in ferroelectric (CsRb)Sn2I6 can effectively separate the photoexcited carriers, leading to novel ferroelectric PV materials with,potentially enhanced energy conversion efficiency.
C1 [Gou, Gaoyang; Liu, Xian] Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, Xian 710049, Peoples R China.
[Gou, Gaoyang; Liu, Xian] Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China.
[Young, Joshua] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA.
[Rondinelli, James M.] Northwestern Univ, Dept Mat Sci & Engn, 2220 Campus Dr, Evanston, IL 60208 USA.
[Rondinelli, James M.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Gou, GY (reprint author), Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, Xian 710049, Peoples R China.; Gou, GY (reprint author), Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China.; Rondinelli, JM (reprint author), Northwestern Univ, Dept Mat Sci & Engn, 2220 Campus Dr, Evanston, IL 60208 USA.; Rondinelli, JM (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM gougaoyang@mail.xjtu.edu.cn; jrondinelli@northwestern.edu
RI Rondinelli, James/A-2071-2009; Gou, Gaoyang/D-9289-2011
OI Rondinelli, James/0000-0003-0508-2175;
FU National Basic Research Program of China [2012CB619402]; National
Science Foundation of China [11574244]; National Supercomputer Center in
Tianjin; NSF [DMR-1420620, ACI-1053575]; U.S. Department of Energy,
Office of Basic Energy Sciences [DE-AC02-06CH11357]; QUEST
high-performance computing facility at Northwestern University; Office
of the Provost, Office for Research; Northwestern University Information
Technology
FX Work at XJTU was supported by funding from the National Basic Research
Program of China under Contract 2012CB619402, the National Science
Foundation of China under Contract 11574244, and the National
Supercomputer Center in Tianjin. J.Y. and J.M.R were supported by the
NSF under Grant DMR-1420620 and the U.S. Department of Energy, Office of
Basic Energy Sciences, under Grant DE-AC02-06CH11357. DFT calculations
using VASP were performed on the Extreme Science and Engineering
Discovery Environment, which was supported by the NSF (Grant
ACI-1053575) and the QUEST high-performance computing facility at
Northwestern University, which is jointly supported by the Office of the
Provost, Office for Research, and Northwestern University Information
Technology.
NR 53
TC 0
Z9 0
U1 33
U2 33
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0020-1669
EI 1520-510X
J9 INORG CHEM
JI Inorg. Chem.
PD JAN 2
PY 2017
VL 56
IS 1
BP 26
EP 32
DI 10.1021/acs.inorgchem.6b01701
PG 7
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA EG7SJ
UT WOS:000391248900004
PM 27682844
ER
PT J
AU Vathonne, E
Andersson, DA
Freyss, M
Perriot, R
Cooper, MWD
Stanek, CR
Bertolus, M
AF Vathonne, Emerson
Andersson, David A.
Freyss, Michel
Perriot, Romain
Cooper, Michael W. D.
Stanek, Christopher R.
Bertolus, Marjorie
TI Determination of Krypton Diffusion Coefficients in Uranium Dioxide Using
Atomic Scale Calculations
SO INORGANIC CHEMISTRY
LA English
DT Article
ID DENSITY-FUNCTIONAL THEORY; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE
METHOD; ELASTIC BAND METHOD; FISSION-PRODUCTS; IMPURITY DIFFUSION;
SELF-DIFFUSION; NUCLEAR-FUELS; SADDLE-POINTS; BASIS-SET
AB We present a study of the diffusion of krypton in UO2 using atomic scale calculations combined with diffusion models adapted to the system studied. The migration barriers of the elementary mechanisms for interstitial "or vacancy assisted migration are calculated in the DFT+U framework using the nudged elastic band method. The attempt frequencies are obtained from the phonon modes of the defect at the initial and saddle points using empirical potential methods. The diffusion coefficients of Kr in UO2 are then calculated by combining this data with diffusion models accounting for the concentration of vacancies and the interaction of vacancies with Kr atoms. We determined the preferred mechanism for Kr migration and the corresponding diffusion coefficient as a function of the oxygen chemical potential mu(o) or nonstoichiometry. For very hypostoichiometric (or U-rich) conditions, the most favorable mechanism is interstitial migration. For hylanstoichiometric UO2, migration is assisted by the bound Schottky defect and the charged uranium vacancy, V-U(4-). Around stoichiometry, migration assisted by the charged uranium-oxygen divacancy (V-Uo(4-)) and V-U(4-) is the favored mechanism. Finally, for hyperstoichiometric or O-rich conditions, the migration assisted by two V-U(4-) dominates. Kr migration is enhanced at higher mu(o), and in this regime, the activation energy will be between 4.09 and 0.73 eV depending on nonstoichiometry. The experimental values available are in the latter interval. Since it is very probable that these values were obtained for at least slightly hyperstoichiometric samples, our activation energies are consistent with the experimental data, even if further experiments with precisely controlled stoichiometry are needed to confirm these results. The mechanisms and trends with nonstoichiometry established for Kr are similar to those found in previous studies of Xe.
C1 [Vathonne, Emerson; Freyss, Michel; Bertolus, Marjorie] CEA, DEN, DEC, Ctr Cadarache, F-13108 St Paul Les Durance, France.
[Andersson, David A.; Perriot, Romain; Cooper, Michael W. D.; Stanek, Christopher R.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
RP Bertolus, M (reprint author), CEA, DEN, DEC, Ctr Cadarache, F-13108 St Paul Les Durance, France.
EM marjorie.bertolus@cea.fr
FU U.S. Department of Energy, Office of Nuclear Energy, Nuclear Energy
Advanced Modeling and Simulation (NEAMS) program; GENCI-CCRT
[x2014086922, x2015086922]
FX Work at Los Alamos National Laboratory was sponsored by the U.S.
Department of Energy, Office of Nuclear Energy, Nuclear Energy Advanced
Modeling and Simulation (NEAMS) program. This work was partly performed
using HPC resources from GENCI-CCRT (Grants x2014086922 and
x2015086922). The authors express their gratitude to G. Carlot and C.
Sabathier for fruitful discussions. This research contributes to the
joint programme on nuclear materials OPNM) of the European energy
research alliance (EERA).
NR 63
TC 0
Z9 0
U1 12
U2 12
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0020-1669
EI 1520-510X
J9 INORG CHEM
JI Inorg. Chem.
PD JAN 2
PY 2017
VL 56
IS 1
BP 125
EP 137
DI 10.1021/acs.inorgchem.6b01560
PG 13
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA EG7SJ
UT WOS:000391248900016
PM 27983828
ER
PT J
AU Baddour, FG
Hyre, AS
Guillet, JL
Pascual, D
Lopez-de-Luzuriaga, JM
Alam, TM
Bacon, JW
Doerrer, LH
AF Baddour, Frederick G.
Hyre, Ariel S.
Guillet, Jesse L.
Pascual, David
Maria Lopez-de-Luzuriaga, Jose
Alam, Todd M.
Bacon, Jeffrey W.
Doerrer, Linda H.
TI Pt-Mg, Pt-Ca, and Pt-Zn Lantern Complexes and Metal-Only Donor-Acceptor
Interactions
SO INORGANIC CHEMISTRY
LA English
DT Article
ID DENSITY-FUNCTIONAL THEORY; NMR CHEMICAL-SHIFTS; X-RAY STRUCTURES;
CENTER-DOT-PT; Z-TYPE LIGAND; TRANSITION-METAL; MOLECULAR-STRUCTURES;
CRYSTAL-STRUCTURES; SQUARE-PLANAR; DATIVE BONDS
AB Pt-based heterobimetallic lantern complexes of the form [PtM(SOCR)(4)(L)] have been shown previously to form intermolecular metallophilic interactions and engage in anti-ferromagnetic coupling between lanterns having M atoms with open shell configurations. In order to understand better the influence of the carboxylate bridge and terminal ligand on the electronic structure, as well as the metal-metal interactions within each lantern unit, a series of diamagnetic lantern complexes, [PtMg(SAc)(4)(OH2)] (1), [PtMg(tba)(4)(OH2)] (2), [PtCa(tba)(4)(OH2)] (3), [Pan(tba)(4)(OH2)] (4), and a mononuclear control (Ph4P)(2)[Pt(SAc)(4)] (5) have been synthesized. Crystallographic data show dose Pt-M contacts enforced by the lantern structure in each dinudear case. 19813t-NMR spectroscopy of 1-4, (Ph4P)(2)[Pt(SAc)(4)] (5), and several previously reported lanterns revealed a strong chemical shift dependence on the identity of the second metal (M), mild influence by the thiocarboxylate ligand (SOCR; R = CH3 (thioacetate, SAc), C6H5 (thiobenzoate, tba)), and modest influence from the terminal ligand (L). Fluorescence spectroscopy has provided evidence for a Pt center dot center dot center dot Zn metallophilic interaction in [PtZn(SAc)(4)(OH2)], and computational studies demonstrate significant dative character. In all of 1-4, the short Pt M distances suggest that metal-only Lewis donor (Pt)-Lewis acceptor (M) interactions could be present. DFT and NBO calculations, however, show that only the Zn examples have appreciable covalent character, whereas the Mg and Ca complexes are much more ionic.
C1 [Baddour, Frederick G.; Hyre, Ariel S.; Guillet, Jesse L.; Bacon, Jeffrey W.; Doerrer, Linda H.] Boston Univ, Dept Chem, 590 Commonwealth Ave, Boston, MA 02215 USA.
[Pascual, David; Maria Lopez-de-Luzuriaga, Jose] Univ La Rioja, Ctr Invest Sintesis Quim, Dept Quim, Madre de Dios 51, Logrono 26004, Spain.
[Alam, Todd M.] Sandia Natl Labs, Dept Organ Mat Sci, POB 5800, Albuquerque, NM 87185 USA.
RP Doerrer, LH (reprint author), Boston Univ, Dept Chem, 590 Commonwealth Ave, Boston, MA 02215 USA.
EM doerrer@bu.edu
FU NSF-CCF [0829890]; DGI MINECO/FEDER [CTQ2016-75816-C2-2-P]; NSF-CHE
[0619339]; NSF-DGE [1247312]; U.S. Department of Energy's National
Nuclear Security Administration
FX We thank NSF-CCF 0829890 (L.H.D.), NSF-CHE 0619339 (NMR spectrometer at
Boston University), and NSF-DGE 1247312 (A.S.H.) for funding.
J.M.L.-de-L. and D.P. thank DGI MINECO/FEDER (CTQ2016-75816-C2-2-P) for
financial support. The 195Pt NMR spectroscopy (T.M.A.) was
performed at Sandia National Laboratories, which is a multiprogram
laboratory operated by Sandia Corporation, a wholly owned subsidiary of
Lockheed Martin Company, for the U.S. Department of Energy's National
Nuclear Security Administration. We thank Mikkel Agerbaek for the X-ray
crystal structure of 5, and Ruslan Tazhigulov for assistance with the
COUP calculations, and James McNeely for helpful discussions.
NR 113
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Z9 0
U1 4
U2 4
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0020-1669
EI 1520-510X
J9 INORG CHEM
JI Inorg. Chem.
PD JAN 2
PY 2017
VL 56
IS 1
BP 452
EP 469
DI 10.1021/acs.inorgchem.6b02372
PG 18
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA EG7SJ
UT WOS:000391248900051
PM 27936636
ER
PT J
AU de Laune, BP
Rees, GJ
Whitaker, MJ
Hah, HY
Johnson, CE
Johnson, JA
Brown, DE
Tucker, MG
Hansen, TC
Berry, FJ
Hanna, JV
Greaves, C
AF de Laune, Benjamin P.
Rees, Gregory J.
Whitaker, Mariana J.
Hah, Hien-Yoong
Johnson, Charles E.
Johnson, Jacqueline A.
Brown, Dennis E.
Tucker, Matthew G.
Hansen, Thomas C.
Berry, Frank J.
Hanna, John V.
Greaves, Colin
TI Oxygen Insertion Reactions within the One-Dimensional Channels of Phases
Related-to FeSb2O4
SO INORGANIC CHEMISTRY
LA English
DT Article
ID CRYSTAL-STRUCTURE; MAGNETIC-PROPERTIES; NMR-SPECTROSCOPY; RAMAN-SPECTRA;
MNSB2O4; NIAS2O4; O-17
AB The structure of the mineral schafarzikite, FeSb2O4, has one-dimensional channels with walls comprising Sb3+ cations; the channels are separated by edge-linked FeO6 octahedra that form infinite chains parallel to the channels. Although this structure provides interest with respect to the magnetic and electrical properties associated with the chains and the possibility of chemistry that could occur within the channels, materials in this structural class have received very little attention. Here we show, for the first time, that heating selected phases in oxygen-rich atmospheres can result in relatively large oxygen uptakes (up to,similar to 2% by mass) at low temperatures (ca. 350 degrees C) while retaining the parent structure. Using a variety of structural and spectroscopic techniques, it is shown that oxygen is inserted into the channels to provide a structure with the potential to show high one-dimensional oxide ion conductivity. This is the first report of oxygen-excess phases derived from this structure. The oxygen insertion is accompanied not only by oxidation of Fe2+ to Fe3+ within the octahedral chains but also Sb3+ to Sb5+ in the channel walls. The formation of a defect cluster comprising one 5-coordinate Sb5+ ion (which is very rare in an oxide environment), two interstitial O2- ions, and two 4-coordinate Sb3+ ions is suggested and is consistent with all experimental observations. To the best of our knowledge, this is the first example of an oxidation process where the local energetics of the product dictate that simultaneous oxidation of two different cations must occur. This reaction, together with a wide range of cation substitutions that are possible on the transition metal sites, presents opportunities to explore the schafarzikite structure more extensively for a range of catalytic and electrocatalytic applications.
C1 [de Laune, Benjamin P.; Whitaker, Mariana J.; Berry, Frank J.; Greaves, Colin] Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England.
[Rees, Gregory J.; Hanna, John V.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England.
[Hah, Hien-Yoong; Johnson, Charles E.; Johnson, Jacqueline A.] Univ Tennessee, Inst Space, Ctr Laser Applicat, Tullahoma, TN 37388 USA.
[Hah, Hien-Yoong; Johnson, Jacqueline A.] Univ Tennessee, Inst Space, Dept Mech Aeronaut & Biomed Engn, Tullahoma, TN 37388 USA.
[Brown, Dennis E.] Northern Illinois Univ, Dept Phys, De Kalb, IL 60115 USA.
[Tucker, Matthew G.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Hansen, Thomas C.] Inst Laue Langevin, BP 156, F-38042 Grenoble 9, France.
RP Greaves, C (reprint author), Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England.
EM c.greaves@bham.ac.uk
FU EPSRC [EP/L014114/1]; Advantage West Midlands (AWM); European Regional
Development Fund (ERDF); EPSRC; University of Warwick; Birmingham
Science City Program; BBSRC; Birmingham Science City Advanced Materials
FX We thank EPSRC for financial support of this research (EP/L014114/1) and
EPSRC, EU and ILL for the provision of NPD facilities. We are grateful
to Dr. Vladimir Pomjakushin for assistance in collecting the NPD data at
PSI. We also thank Prof. Chris McConville and Dr. Marc Walker for the
provision of XPS data. The X-ray diffractometers and Raman spectrometer
used in this research were obtained through Birmingham Science City:
Creating and Characterising Next Generation Advanced Materials (West
Midlands Centre for Advanced Materials Project 1), with support from
Advantage West Midlands (AWM) and part funded by the European Regional
Development Fund (ERDF). We are grateful to Johnson Matthey for allowing
us to use a dedicated apparatus for the exchange of
17O-enriched oxygen with samples heated at 350 degrees C.
J.V.H. thanks the EPSRC, the University of Warwick and the Birmingham
Science City Program for partial funding of the solid state NMR
infrastructure at Warwick. The latter program accessed the Birmingham
Science City Advanced Materials Project 1: Creating and Characterising
Next Generation Advanced Materials, which derived support from Advantage
West Midlands (AWM) and the European Regional Development Fund (ERDF).
The UK 850 MHz National High Field Solid State NMR Facility used in this
research was funded by EPSRC and BBSRC, as well as the University of
Warwick including via part funding through Birmingham Science City
Advanced Materials Projects 1 and 2 supported by Advantage West Midlands
(AWM) and the European Regional Development Fund (ERDF). Data associated
with the results shown in this paper are accessible from the University
of Birmingham Archive: http://epapers.bham.ac.uk/2226/.
NR 34
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U2 4
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0020-1669
EI 1520-510X
J9 INORG CHEM
JI Inorg. Chem.
PD JAN 2
PY 2017
VL 56
IS 1
BP 594
EP 607
DI 10.1021/acs.inorgchem.6b02466
PG 14
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA EG7SJ
UT WOS:000391248900065
PM 27977159
ER
PT J
AU Pilgrim, CD
Zavarin, M
Casey, WH
AF Pilgrim, Corey D.
Zavarin, Mavrik
Casey, William H.
TI Pressure Dependence of Carbonate Exchange with [NpO2(CO3)(3)](4-) in
Aqueous Solutions
SO INORGANIC CHEMISTRY
LA English
DT Article
ID NUCLEAR-MAGNETIC-RESONANCE; RESOLUTION NMR PROBE; C-13 NMR;
DIOXOURANIUM(VI) COMPLEXES; METAL-COMPLEXES; WATER EXCHANGE; ION;
SUBSTITUTION; MECHANISMS; SPECTROSCOPY
AB The rates of ligand exchange into the geochemically important [NpO2(CO3)(3)](4-) aqueous complex are measured as a function of pressure in order to complement existing data on the isostructural [UO2(CO3)(3)](4-) complex. Experiments are conducted at pH conditions where the rate of exchange is independent of the proton concentration. Unexpectedly, the experiments show a distinct difference in the pressure dependencies of rates of exchange for the uranyl and neptunyl complexes.
C1 [Pilgrim, Corey D.; Casey, William H.] Univ Calif Davis, Dept Chem, One Shields Ave, Davis, CA 95616 USA.
[Casey, William H.] Univ Calif Davis, Dept Earth & Planetary Sci, One Shields Ave, Davis, CA 95616 USA.
[Zavarin, Mavrik] Lawrence Livermore Natl Lab, Glenn T Seaborg Inst, Phys & Life Sci, Livermore, CA 94550 USA.
RP Casey, WH (reprint author), Univ Calif Davis, Dept Chem, One Shields Ave, Davis, CA 95616 USA.; Casey, WH (reprint author), Univ Calif Davis, Dept Earth & Planetary Sci, One Shields Ave, Davis, CA 95616 USA.
EM whcasey@ucdavis.edu
FU Office of Basic Energy Science of the U.S. Department of Energy,
Materials Science of Actinides Energy Frontier Research Center
[DE-SC0001089]; Subsurface Biogeochemical Research Program of the U.S.
Department of Energy's Office of Biological and Environmental Research
[DE-AC52-07NA27344]; Department of Energy via the Nuclear Energy
University Program-Integrated University Program
FX The authors would like to thank Dr. Adele Panasci and Dr. Pihong Zhao
for advice on the purification of neptunium, Dr. Stephen Harley for his
knowledge in high-pressure NMR, and Dr. Harris Mason for his expertise
in NMR (all from LLNL). Dr. Anna Oliveri is thanked for her help with
the creation of this manuscript. This work was supported by the Office
of Basic Energy Science of the U.S. Department of Energy as part of the
Materials Science of Actinides Energy Frontier Research Center
(DE-SC0001089) to W.H.C. The work at LLNL was supported by the
Subsurface Biogeochemical Research Program of the U.S. Department of
Energy's Office of Biological and Environmental Research under Contract
DE-AC52-07NA27344 to LLNL. C.D.P. was also supported by a graduate
student fellowship from Department of Energy via the Nuclear Energy
University Program-Integrated University Program.
NR 33
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U1 4
U2 4
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0020-1669
EI 1520-510X
J9 INORG CHEM
JI Inorg. Chem.
PD JAN 2
PY 2017
VL 56
IS 1
BP 661
EP 666
DI 10.1021/acs.inorgchem.6b02604
PG 6
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA EG7SJ
UT WOS:000391248900072
PM 27959524
ER
PT J
AU An, LT
Wang, H
Teat, SJ
Xu, F
Wang, XL
Wang, FM
Li, J
AF An, Litao
Wang, Hao
Teat, Simon J.
Xu, Feng
Wang, Xin-Long
Wang, Fangming
Li, Jing
TI Selective Carbon Dioxide Adsorption by Two Robust Microporous
Coordination Polymers (vol 55, pg 12923, 2016)
SO INORGANIC CHEMISTRY
LA English
DT Correction
C1 [Teat, Simon J.] Lawrence Berkeley Natl Lab, Adv Light Source, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
NR 1
TC 0
Z9 0
U1 0
U2 0
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0020-1669
EI 1520-510X
J9 INORG CHEM
JI Inorg. Chem.
PD JAN 2
PY 2017
VL 56
IS 1
BP 692
EP 692
DI 10.1021/acs.inorgchem.6b02919
PG 1
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA EG7SJ
UT WOS:000391248900076
PM 27977165
ER
PT J
AU Wang, K
Abdalla, AA
Khaleel, MA
Hilal, N
Khraisheh, MK
AF Wang, Kui
Abdalla, Ahmed A.
Khaleel, Mohammad A.
Hilal, Nidal
Khraisheh, Marwan K.
TI Mechanical properties of water desalination and wastewater treatment
membranes
SO DESALINATION
LA English
DT Article
DE Membrane; Wastewater treatment; Desalination; Stress state; Mechanical
characterization; Mechanical properties
ID HOLLOW-FIBER MEMBRANES; THIN-FILM COMPOSITE; REVERSE-OSMOSIS MEMBRANES;
PRESSURE RETARDED OSMOSIS; NANOFIBROUS MICROFILTRATION MEMBRANES;
HIGH-DENSITY POLYETHYLENE; COST CERAMIC MEMBRANES; SPACER-FILLED
CHANNELS; ION-EXCHANGE MEMBRANES; BOVINE SERUM-ALBUMIN
AB Applications of membrane technology in water desalination and wastewater treatment have increased significantly in the past few decades due to its many advantages over other water treatment technologies. Water treatment membranes provide high flux and contaminant rejection ability and require good mechanical strength and durability. Thus, assessing the mechanical properties of water treatment membranes is critical not only to their design, but also for studying their failure mechanisms, including the surface damage, mechanical and chemical ageing, delamination and loss of dimensional stability of the membranes. The various experimental techniques to assess the mechanical properties of wastewater treatment and desalination membranes are reviewed. Uniaxial tensile test, bending test, dynamic mechanical analysis, nanoindentation and bursting tests are the most widely used mechanical characterization methods for water treatment membranes. Mechanical degradations induced by fouling, chemical cleaning as well as membrane delamination are then discussed. Moreover, in order to study the membranes mechanical responses under similar loading conditions, the stress-state of the membranes are analyzed and advanced mechanical testing approaches are proposed. Some perspectives are highlighted to study the structure-properties relationship for wastewater treatment and water desalination membranes. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Wang, Kui; Abdalla, Ahmed A.; Khraisheh, Marwan K.] HBKU, QEERI, Qatar Fdn, POB 5825, Doha, Qatar.
[Abdalla, Ahmed A.] HBKU, Coll Sci & Engn, Qatar Fdn, POB 5825, Doha, Qatar.
[Khaleel, Mohammad A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Hilal, Nidal] Swansea Univ, Coll Engn, CWATER, Swansea SA2 8PP, W Glam, Wales.
RP Khraisheh, MK (reprint author), HBKU, QEERI, Qatar Fdn, POB 5825, Doha, Qatar.
EM mkhraisheh@qf.org.qa
OI Hilal, Nidal/0000-0001-7885-4020
NR 199
TC 0
Z9 0
U1 25
U2 25
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0011-9164
EI 1873-4464
J9 DESALINATION
JI Desalination
PD JAN 2
PY 2017
VL 401
SI SI
BP 190
EP 205
DI 10.1016/j.desal.2016.06.032
PG 16
WC Engineering, Chemical; Water Resources
SC Engineering; Water Resources
GA ED8CO
UT WOS:000389099800025
ER
PT J
AU Kim, HS
Sumption, MD
Bong, HJ
Lim, H
Collings, EW
AF Kim, H. S.
Sumption, M. D.
Bong, H. J.
Lim, H.
Collings, E. W.
TI Development of a multi-scale simulation model of tube hydroforming for
superconducting RF cavities
SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES
MICROSTRUCTURE AND PROCESSING
LA English
DT Article
DE Hydroforming; Tube bulge test; Abaqus; FEM; Crystal plasticity; CP-FEM
ID DUCTILE SINGLE-CRYSTALS; CRYSTALLOGRAPHIC TEXTURE; FCC METALS;
DEFORMATION; STRAIN; ACCELERATORS; POLYCRYSTALS; TECHNOLOGY; PLASTICITY;
EVOLUTION
AB This work focuses on finite element modeling of the hydroforming process for niobium tubes intended for use in superconducting radio frequency (SRF) cavities. The hydroforming of tubular samples into SRF-relevant shapes involves the complex geometries and loading conditions which develop during the deformation, as well as anisotropic materials properties. Numerical description of the process entails relatively complex numerical simulations. A crystal plasticity (CP) model was constructed that included the evolution of crystallographic orientation during deformation as well as the anisotropy of tubes in all directions and loading conditions. In this work we demonstrate a multi-scale simulation approach which uses both microscopic CP and macroscopic continuum models. In this approach a CP model (developed and implemented into ABAQUS using UMAT) was used for determining the flow stress curve only under bi-axial loading in order to reduce the computing time. The texture of the materials obtained using orientation imaging microscopy (OIM) and tensile test data were inputs for this model. Continuum FE analysis of tube hydroforming using the obtained constitutive equation from the CP modeling was then performed and compared to the results of hydraulic bulge testing. The results show that high quality predictions of the deformation under hydroforming of Nb tubes can be obtained using CP-FEM based on their known texture and the results of tensile tests. The importance of the CP-FEM based approach is that it reduces the need for hydraulic bulge testing, using a relatively simple computational approach.
C1 [Kim, H. S.; Sumption, M. D.; Bong, H. J.; Collings, E. W.] Ohio State Univ, Dept Mat Sci & Engn, 116 W 19th Ave, Columbus, OH 43210 USA.
[Lim, H.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
RP Sumption, MD (reprint author), Ohio State Univ, Dept Mat Sci & Engn, 116 W 19th Ave, Columbus, OH 43210 USA.
EM sumption.3@osu.edu
FU United States Department of Energy, Office of High Energy Physics
[DE-SC0004217]
FX We thank Dr. Lance D. Cooley for selecting the Nb tube heat treatment
conditions and arranged for the heat treatments to be carried out at the
Fermi National Accelerator Laboratory, Batavia, IL, USA. The research
was supported by the United States Department of Energy, Office of High
Energy Physics, under grant no. DE-SC0004217.
NR 23
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U1 13
U2 13
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0921-5093
EI 1873-4936
J9 MAT SCI ENG A-STRUCT
JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process.
PD JAN 2
PY 2017
VL 679
BP 104
EP 115
DI 10.1016/j.msea.2016.10.022
PG 12
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Metallurgy & Metallurgical Engineering
SC Science & Technology - Other Topics; Materials Science; Metallurgy &
Metallurgical Engineering
GA ED7XW
UT WOS:000389087000013
ER
PT J
AU Zhang, JG
Nash, K
Arrigoni, A
Escobedo, JP
Florando, JN
Field, DP
AF Zhang, Jingyi
Nash, Karyn
Arrigoni, Alyssa
Escobedo, Juan P.
Florando, Jeffrey N.
Field, David P.
TI Hydrostatic pressure effect on mechanical behavior and texture evolution
of Al and Brass
SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES
MICROSTRUCTURE AND PROCESSING
LA English
DT Article
DE Hydrostatic pressure; FCC; Shear strength; EBSD; Dislocation; Texture
ID PLASTIC-FLOW; SHEARING STRESS; METALS; DEFORMATION; TORSION
AB The effect of hydrostatic pressure on shear strength and microstructural evolution of polycrystalline FCC metals was investigated. Hydrostatic pressure of up to 5 GPa was imposed on commercial purity aluminum and 70/30 brass samples using a modified opposed-anvil apparatus (tri-anvil) that allows for measurement of shear strength in thin foil specimens. Similar to the previous investigations made in BCC metals (Ta and Mo), the shear strength of FCC metals increases significantly as the pressure rises. At 5 GPa, the shear strength of aluminum increased to 8 times its value at atmospheric pressure and 70/30 brass increased by a factor of 2.7. EBSD analysis reveals an evident accumulation of dislocations in all sheared samples, with an approximately 50% decrease in grain diameter. Texture analysis suggests that, in addition to helping form selectively oriented dislocation walls, hydrostatic pressure also serves as a threshold to select certain favorable orientations in sheared metals. We propose that these hydrostatic pressure effects are intrinsically due to the excess volume associated with the cylindrical strain field of dislocation lines.
C1 [Zhang, Jingyi; Nash, Karyn; Arrigoni, Alyssa; Field, David P.] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.
[Escobedo, Juan P.] Univ New South Wales, Canberra, BC 2610, Australia.
[Florando, Jeffrey N.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Zhang, JG (reprint author), Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.
EM jingyi.zhang2@wsu.edu
OI Field, David/0000-0001-9415-0795
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]
FX This work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under Contract
DE-AC52-07NA27344.
NR 38
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U1 5
U2 5
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0921-5093
EI 1873-4936
J9 MAT SCI ENG A-STRUCT
JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process.
PD JAN 2
PY 2017
VL 679
BP 155
EP 161
DI 10.1016/j.msea.2016.10.030
PG 7
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Metallurgy & Metallurgical Engineering
SC Science & Technology - Other Topics; Materials Science; Metallurgy &
Metallurgical Engineering
GA ED7XW
UT WOS:000389087000018
ER
PT J
AU Anderson-Cook, CM
Burke, SE
AF Anderson-Cook, Christine M.
Burke, Sarah E.
TI Discussion of "Bayesian design of experiments for generalized linear
models and dimensional analysis with industrial and scientific
application"
SO QUALITY ENGINEERING
LA English
DT Editorial Material
ID LOGISTIC-REGRESSION
C1 [Anderson-Cook, Christine M.] Los Alamos Natl Lab, Stat Sci Grp, POB 1663 MS F660, Los Alamos, NM 87545 USA.
[Burke, Sarah E.] Perduco Grp, Sci Test & Anal Tech Ctr Excellence, Dayton, OH USA.
RP Anderson-Cook, CM (reprint author), Los Alamos Natl Lab, Stat Sci Grp, POB 1663 MS F660, Los Alamos, NM 87545 USA.
EM candcook@lanl.gov
NR 7
TC 0
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U1 0
U2 0
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0898-2112
EI 1532-4222
J9 QUAL ENG
JI Qual. Eng.
PY 2017
VL 29
IS 1
BP 107
EP 109
DI 10.1080/08982112.2016.1246049
PG 3
WC Engineering, Industrial; Statistics & Probability
SC Engineering; Mathematics
GA EG2SR
UT WOS:000390894900020
ER
PT J
AU Robertson, C
Bissell, MJ
AF Robertson, Claire
Bissell, Mina J.
TI Cell motility in a basement membrane gel concentrates ECM around breast
epithelial cells, a feature lost in malignant cells
SO CANCER RESEARCH
LA English
DT Meeting Abstract
CT AACR Special Conference on Engineering and Physical Sciences in Oncology
CY JUN 25-28, 2016
CL Boston, MA
SP Amer Assoc Canc Res
C1 [Robertson, Claire; Bissell, Mina J.] Lawrence Berkeley Natl Lab, Berkeley, CA USA.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU AMER ASSOC CANCER RESEARCH
PI PHILADELPHIA
PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA
SN 0008-5472
EI 1538-7445
J9 CANCER RES
JI Cancer Res.
PD JAN
PY 2017
VL 77
SU 2
MA A58
PG 2
WC Oncology
SC Oncology
GA EQ1WJ
UT WOS:000397860000047
ER
PT J
AU Jacobs, CB
Wang, K
Ievlev, AV
Collins, L
Muckley, ES
Ivanov, IN
AF Jacobs, Christopher B.
Wang, Kai
Ievlev, Anton V.
Collins, Liam
Muckley, Eric S.
Ivanov, Ilia N.
TI Functional two/three-dimensional assembly of monolayer WS2 and nickel
oxide
SO JOURNAL OF PHOTONICS FOR ENERGY
LA English
DT Article
DE two-dimensional materials; two/three-dimensional assembly; Raman
spectroscopy; Kelvin probe force microscopy
ID PROBE FORCE MICROSCOPY; P-N-JUNCTIONS; HETEROSTRUCTURES;
PHOTOLUMINESCENCE; MOS2; HETEROJUNCTION; SPECTROSCOPY; TRANSITION;
EXCITONS; MONO
AB Functional assemblies of materials can be realized by tuning the work function and band gap of existing materials. Here we demonstrate the structural assembly of two-and three-dimensional (2-D) and (3-D) nanomaterials and investigate the optical and electronic properties of an assembly of monolayer WS2 on a rough polycrystalline NiO surface. Monolayer WS2 (2-D material) was transferred onto the NiO surface using a polymer-assisted transfer technique and resulted in a surface roughness about 30x greater than that of WS2 on SiO2. Raman maps of WS2 transferred onto NiO display a spatial nonuniformity of the E-2g(1) (similar to 352 cm(-1)) and A(1g) (similar to 418 cm(-1)) peak intensities, indicating that regions of the WS2 exist in a strained condition on the 3-D NiO surface. Kelvin probe force microscopy measurements show that the WS2-SiO2 assembly has a surface potential 62 +/- 5 mV lower than that of SiO2, whereas that of WS2-NiO is 11 +/- 5 mV higher than NiO, indicating that a monolayer of WS2 is sufficient to modify the surface potential by acting as either an electron donor or acceptor with the underlying surface. Thus, 2-D and 3-D materials can be organized into functional assemblies with electron flow controlled by the WS2 either as the electron donor or acceptor. (C) 2017 Society of PhotoOptical Instrumentation Engineers (SPIE)
C1 [Ivanov, Ilia N.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA.
Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN USA.
RP Ivanov, IN (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA.
EM ivanovin@ornl.gov
FU Laboratory Directed Research and Development (LDRD) Program of ORNL; US
Department of Energy, Office of Science, Materials Science and
Engineering Division, Basic Energy Sciences (BES); US Department of
Energy [DE-AC05-00OR22725]
FX This research was conducted at the Center for Nanophase Materials
Sciences at Oak Ridge National Laboratory (ORNL), a US Department of
Energy (DOE) Office of Science User Facility. C.J. acknowledges support
by the Laboratory Directed Research and Development (LDRD) Program of
ORNL. The growth and transfer of 2-D materials by K.W. was supported by
the US Department of Energy, Office of Science, Materials Science and
Engineering Division, Basic Energy Sciences (BES). The authors thank
Vladimir Martis and Daryl Williams of Surface Measurement Systems Ltd.
for their support in the development of multimodal environmental chamber
where the screening of NiO was conducted. This manuscript has been
authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with
the US Department of Energy. The United States Government retains and
the publisher, by accepting the article for publication, acknowledges
that the United States Government retains a 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. The Department of Energy will provide public access
to these results of federally sponsored research in accordance with the
DOE Public Access Plan
(http://energy.gov/downloads/doe-public-access-plan).
NR 40
TC 0
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U1 0
U2 0
PU SPIE-SOC PHOTO-OPTICAL INSTRUMENTATION ENGINEERS
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA
SN 1947-7988
J9 J PHOTON ENERGY
JI J. Photonics Energy
PD JAN-MAR
PY 2017
VL 7
IS 1
AR 014001
DI 10.1117/1.JPE.7.014001
PG 8
WC Materials Science, Multidisciplinary; Optics; Physics, Applied
SC Materials Science; Optics; Physics
GA EQ4ET
UT WOS:000398028100009
ER
PT J
AU Pelzer, KM
Vazquez-Mayagoitia, A
Ratcliff, LE
Tretiak, S
Bair, RA
Gray, SK
Van Voorhis, T
Larsen, RE
Darling, SB
AF Pelzer, Kenley M.
Vazquez-Mayagoitia, Alvaro
Ratcliff, Laura E.
Tretiak, Sergei
Bair, Raymond A.
Gray, Stephen K.
Van Voorhis, Troy
Larsen, Ross E.
Darling, Seth B.
TI Molecular dynamics and charge transport in organic semiconductors: a
classical approach to modeling electron transfer
SO CHEMICAL SCIENCE
LA English
DT Article
ID DENSITY-FUNCTIONAL THEORY; SOLAR-CELLS; CONJUGATED POLYMERS; BULK
HETEROJUNCTION; CARRIER GENERATION; 2-STATE SYSTEM; MORPHOLOGY;
PHOTOVOLTAICS; ARCHITECTURES; LOCALIZATION
AB Organic photovoltaics (OPVs) are a promising carbon-neutral energy conversion technology, with recent improvements pushing power conversion efficiencies over 10%. A major factor limiting OPV performance is inefficiency of charge transport in organic semiconducting materials (OSCs). Due to strong coupling with lattice degrees of freedom, the charges form polarons, localized quasi-particles comprised of charges dressed with phonons. These polarons can be conceptualized as pseudo-atoms with a greater effective mass than a bare charge. We propose that due to this increased mass, polarons can be modeled with Langevin molecular dynamics (LMD), a classical approach with a computational cost much lower than most quantum mechanical methods. Here we present LMD simulations of charge transfer between a pair of fullerene molecules, which commonly serve as electron acceptors in OSCs. We find transfer rates consistent with experimental measurements of charge mobility, suggesting that this method may provide quantitative predictions of efficiency when used to simulate materials on the device scale. Our approach also offers information that is not captured in the overall transfer rate or mobility: in the simulation data, we observe exactly when and why intermolecular transfer events occur. In addition, we demonstrate that these simulations can shed light on the properties of polarons in OSCs. Much remains to be learned about these quasi-particles, and there are no widely accepted methods for calculating properties such as effective mass and friction. Our model offers a promising approach to exploring mass and friction as well as providing insight into the details of polaron transport in OSCs.
C1 [Pelzer, Kenley M.; Gray, Stephen K.; Darling, Seth B.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 Cass Ave, Lemont, IL 60439 USA.
[Pelzer, Kenley M.] Argonne Natl Lab, Div Mat Sci, 9700 Cass Ave, Lemont, IL 60439 USA.
[Vazquez-Mayagoitia, Alvaro; Ratcliff, Laura E.] Argonne Natl Lab, Argonne Leadership Comp Facil, 9700 Cass Ave, Lemont, IL 60439 USA.
[Tretiak, Sergei] Los Alamos Natl Lab, Div Theoret, Ctr Integrated Nanotechnol, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
[Bair, Raymond A.] Argonne Natl Lab, Div Math & Comp Sci, 9700 Cass Ave, Argonne, IL 60439 USA.
[Bair, Raymond A.; Gray, Stephen K.] Univ Chicago, Computat Inst, 5735 S Ellis Ave, Chicago, IL 60637 USA.
[Bair, Raymond A.] Argonne Natl Lab, Comp Environm & Life Sci, 9700 Cass Ave, Lemont, IL 60439 USA.
[Van Voorhis, Troy] MIT, Dept Chem, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
[Larsen, Ross E.] Natl Renewable Energy Lab, Computat Sci Ctr, 15301 Denver W Pkwy, Golden, CO 80401 USA.
[Darling, Seth B.] Univ Chicago, Inst Mol Engn, 5747 S Ellis Ave, Chicago, IL 60637 USA.
RP Pelzer, KM (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 Cass Ave, Lemont, IL 60439 USA.; Pelzer, KM (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 Cass Ave, Lemont, IL 60439 USA.
EM kpelzer@anl.gov
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]; DOE Office of Science [DE-AC02-06CH11357];
NSF [CHE-1464804]; Center for Integrated Nanotechnology (CINT), a U.S.
Department of Energy and Office of Basic Energy Sciences, at Los Alamos
National Laboratory; Aneesur Rahman Fellowship of Argonne National
Laboratory; U.S. Department of Energy [DE-AC36-08-GO28308]; National
Renewable Energy Laboratory
FX This work was performed 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. This work employed
resources of the Argonne Leadership Computing Facility, which is a DOE
Office of Science User Facility supported under Contract
DE-AC02-06CH11357. T. Van Voorhis was supported by NSF grant
CHE-1464804. S. Tretiak acknowledges support of the Center for
Integrated Nanotechnology (CINT), a U.S. Department of Energy and Office
of Basic Energy Sciences User Facility, at Los Alamos National
Laboratory (LANL). K. Pelzer was supported by the Aneesur Rahman
Fellowship of Argonne National Laboratory. R. Larsen acknowledges
support by the U.S. Department of Energy under Contract No.
DE-AC36-08-GO28308 with the National Renewable Energy Laboratory.
NR 81
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PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2041-6520
EI 2041-6539
J9 CHEM SCI
JI Chem. Sci.
PY 2017
VL 8
IS 4
BP 2597
EP 2609
DI 10.1039/c6sc04547b
PG 13
WC Chemistry, Multidisciplinary
SC Chemistry
GA EP7LY
UT WOS:000397560500013
ER
PT J
AU Huang, H
Zhang, GF
Zhao, K
Giangrande, SE
AF Huang, Hao
Zhang, Guifu
Zhao, Kun
Giangrande, Scott E.
TI A Hybrid Method to Estimate Specific Differential Phase and Rainfall
With Linear Programming and Physics Constraints
SO IEEE GEOSCIENCE AND REMOTE SENSING MAGAZINE
LA English
DT Article
DE Radar application; radar data processing
ID DUAL-POLARIZATION RADAR; DROP SIZE DISTRIBUTION; POLARIMETRIC RADAR;
PROPAGATION PHASE; WEATHER RADAR; C-BAND; ALGORITHM; CLASSIFICATION;
CALIBRATION; WSR-88D
AB A hybrid method of combining linear programming (LP) and physical constraints is developed to estimate specific differential phase (K-DP) and to improve rain estimation. The hybrid K-DP estimator and the existing estimators of LP, least squares fitting, and a self-consistent relation of polarimetric radar variables are evaluated and compared using simulated data. Simulation results indicate the new estimator's superiority, particularly in regions where backscattering phase (dhv) dominates. Furthermore, a quantitative comparison between auto-weather-station rain-gauge observations and K-DP-based radar rain estimates for aMeiyu event also demonstrate the superiority of the hybrid K-DP estimator over existing methods.
C1 [Huang, Hao; Zhang, Guifu; Zhao, Kun] Nanjing Univ, Sch Atmospher Sci, Key Lab Mesoscale Severe Weather Minist Educ, Nanjing 210023, Jiangsu, Peoples R China.
[Zhang, Guifu] Univ Oklahoma, Sch Meteorol, Norman, OK 73072 USA.
[Giangrande, Scott E.] Brookhaven Natl Lab, Dept Environm & Climate Sci, Upton, NY 11973 USA.
RP Zhang, GF; Zhao, K (reprint author), Nanjing Univ, Sch Atmospher Sci, Key Lab Mesoscale Severe Weather Minist Educ, Nanjing 210023, Jiangsu, Peoples R China.; Zhang, GF (reprint author), Univ Oklahoma, Sch Meteorol, Norman, OK 73072 USA.
EM guzhang1@ou.edu; zhaokun@nju.edu.cn
FU National Fundamental Research 973 Program of China [2013CB430101];
National Natural Science Foundation of China [41475015, 41275031,
41322032]; Program for New Century Excellent Talents in University of
China; U.S. Department of Energy [DE-AC02-98CH10886]
FX This work was supported in part by the National Fundamental Research 973
Program of China under Grant 2013CB430101; by the National Natural
Science Foundation of China under Grant 41475015, Grant 41275031 and
Grant 41322032; and by the Program for New Century Excellent Talents in
University of China. The work of S. E. Giangrande was supported by the
U.S. Department of Energy under Contract No. DE-AC02-98CH10886.
(Corresponding authors: Kun Zhao and Guifu Zhang.)
NR 0
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U2 0
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2168-6831
J9 IEEE GEOSC REM SEN M
JI IEEE Geosci. Remote Sens. Mag.
PD JAN
PY 2017
VL 55
IS 1
BP 96
EP 111
DI 10.1109/TGRS.2016.2596295
PG 16
WC Geochemistry & Geophysics; Remote Sensing; Imaging Science &
Photographic Technology
SC Geochemistry & Geophysics; Remote Sensing; Imaging Science &
Photographic Technology
GA EP3IQ
UT WOS:000397276400008
ER
PT J
AU Timalsina, A
Hartnett, PE
Melkonyan, FS
Strzalka, J
Reddy, VS
Facchetti, A
Wasielewski, MR
Marks, TJ
AF Timalsina, Amod
Hartnett, Patrick E.
Melkonyan, Ferdinand S.
Strzalka, Joseph
Reddy, Vari S.
Facchetti, Antonio
Wasielewski, Michael R.
Marks, Tobin J.
TI New donor polymer with tetrafluorinated blocks for enhanced performance
in perylenediimide-based solar cells
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID HETEROJUNCTION ORGANIC PHOTOVOLTAICS; FLUORINATED CONJUGATED POLYMERS;
POWER CONVERSION EFFICIENCY; DIIMIDE ELECTRON-ACCEPTORS; NON-FULLERENE
ACCEPTORS; OPEN-CIRCUIT VOLTAGE; CHARGE SEPARATION; MOLECULAR-WEIGHT;
OPTOELECTRONIC PROPERTIES; EXCITON DISSOCIATION
AB The synthesis of a new tetrafluorinated semiconducting donor polymer, poly[(4,8-bis(5-(2-ethylhexyl)-4-fluorothiophene-2-yl)-benzo[1,2-b:4,5-b']dithiophene)-alt-(5,6-difluoro-4,7-(4-(2-ethylhexyl)-dithien-2-yl-2,1,3- benzothiadiazole)] (PBTZF4), and its photovoltaic performance in bulk heterojunction (BHJ) blends with the non-fullerene molecular acceptor [1,2:3,4]-bis-[N,N'-bis-1-pentylhexyl-perylenediimide-1,12-yl]-benzene (bPDI2P), are reported. PBTZF4: bPDI2P solar cells exhibit a high open circuit voltage (V-oc) of 1.118 V, a short circuit current density (Jsc) of 10.02 mA cm(-2), and a fill factor (FF) of 49.5%, affording a power conversion efficiency (PCE) of 5.55%. Interestingly, a lower PCE of 3.68% is obtained with the difluorinated analogue, poly[(4,8-bis(5-(2-ethylhexyl)-thiophene-2-yl)-benzo[1,2-b: 4,5-b'] dithiophene)-alt-(5,6-difluoro-4,7-(4-(2-ethyl-hexyl)-dithien-2-yl-2,1,3-benzothiadiazole)] (PBTZF2). Both PBTZF4: bPDI2P and PBTZF2: bPDI2P cells benefit from complementary (donor/ acceptor) light absorption and very low geminate recombination, with bimolecular recombination being the dominant loss mechanism, as established by femtosecond transient absorption spectroscopy. DFT computation and physicochemical characterization data argue that the "additional" tetrafluorination planarizes the PBTZF4 backbone and enhances aggregation versus PBTZF2, affording superior charge carrier transport as assayed by field-effect mobility. In addition, fluorine-originated HOMO stabilization, -5.41 eV for PBTZF4 versus -5.33 eV for PBTZF2, and a superior blend microstructure afford a higher PBTZF4: bPDI2P solar cell PCE versus PBTZF2: bPDI2P.
C1 [Timalsina, Amod; Hartnett, Patrick E.; Melkonyan, Ferdinand S.; Strzalka, Joseph; Facchetti, Antonio; Wasielewski, Michael R.; Marks, Tobin J.] Northeastern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.
[Timalsina, Amod; Hartnett, Patrick E.; Melkonyan, Ferdinand S.; Strzalka, Joseph; Facchetti, Antonio; Wasielewski, Michael R.; Marks, Tobin J.] Northeastern Univ, Argonne Northwestern Solar Energy Res ANSER Ctr, 2145 Sheridan Rd, Evanston, IL 60208 USA.
[Strzalka, Joseph] Argonne Natl Lab, X ray Sci Div, Argonne, IL 60439 USA.
[Facchetti, Antonio] Polyera Corp, 8045 Lamon Ave, Skokie, IL 60077 USA.
[Reddy, Vari S.] Natl Inst Technol Calicut, Dept Phys, Calicut 673601, Kerala, India.
RP Melkonyan, FS (reprint author), Northeastern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.; Melkonyan, FS (reprint author), Northeastern Univ, Argonne Northwestern Solar Energy Res ANSER Ctr, 2145 Sheridan Rd, Evanston, IL 60208 USA.
EM f-melkonyan@northwestern.edu; sivaji@nitc.ac.in;
a-facchetti@northwestern.edu; m-wasielewski@northwestern.edu;
t-marks@northwestern.edu
FU Argonne-Northwestern Solar Energy Research (ANSER) Center, an Energy
Frontier Research Center - U.S. Department of Energy (DOE), Office of
Science, Office of Basic Energy Sciences [DE-SC0001059]; U.S. Department
of Energy, Office of Basic Energy Sciences [DE-FG02-08ER46536]; Indo-US
Science & Technology Forum (IUSSTF); U.S. Department of Commerce,
National Institute of Standards and Technology as part of the Center for
Hierarchical Materials Design (CHiMaD) [70NANB14H012]; U.S. DOE
[DE-AC02-06CH11357]
FX This work was supported by the Argonne-Northwestern Solar Energy
Research (ANSER) Center, 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 DE-SC0001059 (A. T. for polymer
synthesis and OPV characterization, P. E. H. for acceptor synthesis and
spectroscopy). This work was also supported by the U.S. Department of
Energy, Office of Basic Energy Sciences under Award Number
DE-FG02-08ER46536. V. S. R. thanks the Indo-US Science & Technology
Forum (IUSSTF) for BASE fellowship. F. S. M. was supported by award
70NANB14H012 from U.S. Department of Commerce, National Institute of
Standards and Technology as part of the Center for Hierarchical
Materials Design (CHiMaD). Use of the Advanced Photon Source, an Office
of Science User Facility operated for the U.S. Department of Energy
(DOE) Office of Science by Argonne National Laboratory, was supported by
the U.S. DOE under Contract No. DE-AC02-06CH11357.
NR 111
TC 0
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U1 2
U2 2
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 2017
VL 5
IS 11
BP 5351
EP 5361
DI 10.1039/c7ta00063d
PG 11
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EP8DE
UT WOS:000397605300014
ER
PT J
AU Cao, MH
Wang, Y
Shadike, Z
Yue, JL
Hu, E
Bak, SM
Zhou, YN
Yang, XQ
Fu, ZW
AF Cao, Ming-Hui
Wang, Yong
Shadike, Zulipiya
Yue, Ji-Li
Hu, Enyuan
Bak, Seong-Min
Zhou, Yong-Ning
Yang, Xiao-Qing
Fu, Zheng-Wen
TI Suppressing the chromium disproportionation reaction in O3-type layered
cathode materials for high capacity sodium-ion batteries
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID RECHARGEABLE NA BATTERIES; X-RAY-ABSORPTION; ENERGY-LOSS SPECTROSCOPY;
TRANSITION-METAL OXIDE; ELECTROCHEMICAL PROPERTIES; IN-SITU; POSITIVE
ELECTRODE; NACRO2 CATHODE; PERFORMANCE; ALPHA-NAFEO2
AB Chromium-based layered cathode materials suffer from the irreversible disproportionation reaction of Cr4+ to Cr3+ and Cr6+, which hinders the reversible multi-electron redox of Cr ions in layered cathodes, and limits their capacity and reversibility. To address this problem, a novel O3-type layer-structured transition metal oxide of NaCr1/3Fe1/3Mn1/3O2 (NCFM) was designed and studied as a cathode material. A high reversible capacity of 186 mA h g (-1) was achieved at a current rate of 0.05C in a voltage range of 1.5 to 4.2 V. X-ray diffraction revealed an O3 -> (O3 + P3) -> (P3 + O3 '') -> O3 '' phase-transition pathway for NCFM during charge. X-ray absorption, X-ray photoelectron and electron energy-loss spectroscopy measurements revealed the electronic structure changes of NCFM during Na+ deintercalation/intercalation processes. It is confirmed that the disproportionation reaction of Cr4+ to Cr3+ and Cr6+ can be effectively suppressed by Fe3+ and Mn4+ substitution. These results demonstrated that the reversible multi-electron oxidation/reduction of Cr ions can be achieved in NCFM during charge and discharge accompanied by CrO6 octahedral distortion and recovery.
C1 [Cao, Ming-Hui; Shadike, Zulipiya; Yue, Ji-Li; Fu, Zheng-Wen] Fudan Univ, Shanghai Key Lab Mol Catalysis & Innovat Mat, Dept Chem, Shanghai 200433, Peoples R China.
[Cao, Ming-Hui; Shadike, Zulipiya; Yue, Ji-Li; Fu, Zheng-Wen] Fudan Univ, Laser Chem Inst, Shanghai 200433, Peoples R China.
[Zhou, Yong-Ning] Fudan Univ, Dept Mat Sci, Shanghai 200433, Peoples R China.
[Wang, Yong] Shanghai Inst Space Power Sources, Shanghai 200245, Peoples R China.
[Hu, Enyuan; Bak, Seong-Min; Yang, Xiao-Qing] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Fu, ZW (reprint author), Fudan Univ, Shanghai Key Lab Mol Catalysis & Innovat Mat, Dept Chem, Shanghai 200433, Peoples R China.; Fu, ZW (reprint author), Fudan Univ, Laser Chem Inst, Shanghai 200433, Peoples R China.; Zhou, YN (reprint author), Fudan Univ, Dept Mat Sci, Shanghai 200433, Peoples R China.; Yang, XQ (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM zhouyongning@gmail.com; xyang@bnl.gov; zwfu@fudan.edu.cn
FU NSAF [51502039, U1430104]; National Key Scientific Research Project
[2016YFB090150]; 1000 Youth Talents Plan and Science & Technology
Commission of Shanghai Municipality [08DZ2270500]; Energy Efficiency and
Renewable Energy, Office of Vehicle Technologies of the U.S. Department
of Energy through the Advanced Battery Materials Research (BMR) Program
[DE-SC0012704]; U.S. Department of Energy, Basic Energy Science
[DE-AC02-06CH11357]
FX This work was financially supported by the NSAF (Grant No. 51502039 and
U1430104), the National Key Scientific Research Project (Grant No.
2016YFB090150), and 1000 Youth Talents Plan and Science & Technology
Commission of Shanghai Municipality (08DZ2270500). The work at
Brookhaven National Laboratory was supported by the Assistant Secretary
for Energy Efficiency and Renewable Energy, Office of Vehicle
Technologies of the U.S. Department of Energy through the Advanced
Battery Materials Research (BMR) Program under Contract No.
DE-SC0012704. The authors acknowledge technical support by beamline
scientists Sungsik Lee and Benjamin Reinhart at 12BM of Advanced Photon
Source at Argonne National Laboratory, supported by the U.S. Department
of Energy, Basic Energy Science, under Contract No. DE-AC02-06CH11357.
The authors also acknowledge beamline BL14W1 of the Shanghai Synchrotron
Radiation Facility (SSRF).
NR 43
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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 2017
VL 5
IS 11
BP 5442
EP 5448
DI 10.1039/c6ta10818k
PG 7
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EP8DE
UT WOS:000397605300023
ER
PT J
AU Tan, GQ
Bao, W
Yuan, YF
Liu, Z
Shahbazian-Yassar, R
Wu, F
Amine, K
Wang, J
Lu, J
AF Tan, Guoqiang
Bao, Wurigumula
Yuan, Yifei
Liu, Zhun
Shahbazian-Yassar, Reza
Wu, Feng
Amine, Khalil
Wang, Jing
Lu, Jun
TI Freestanding highly defect nitrogen-enriched carbon nanofibers for
lithium ion battery thin-film anodes
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID CHEMICAL-VAPOR-DEPOSITION; OXYGEN REDUCTION REACTION; DOPED GRAPHENE;
SCALABLE PREPARATION; MESOPOROUS CARBON; CAPACITY; PERFORMANCE; SILICON;
STORAGE; SUPERCAPACITORS
AB To transform lithium ion batteries into large-scale energy storage technologies, high energy/power densities and long cycling life of carbon-based anodes must be achieved. This requires revolutionary design of the anode's architecture that can facilitate fast electronic and ionic transport, and accommodate the electrode structural instability. Here we report a thin-film electrode design and demonstrate its use in flexible, and large-area carbon-based anode assemblies. The fabrication of electrodes is realized by sputtering a graphite target in the high-purity nitrogen atmosphere, then highly defect nitrogen-doped carbon nanofibers are deposited vertically onto copper substrates with a thin film configuration. The high-defect nitrogen-doping enhances the lithium storage and transport, the orientation growth mechanism improves the charge transfer, and the compact configuration makes high tap density possible. As a result, the thin films exhibit a high specific capacity of similar to 500 mA h g(-1), namely a volume capacity of similar to 100 mA h cm(-3). They also exhibit stable cycle performance (400 mA h g(-1) after 200 cycles) and good rate capability (450 mA h g(-1) at 1 A g(-1) rate). This work opens up a new carbonbased anode design by using sputtering technology for effectively incorporating high content nitrogen into carbon matrices. Such electrode architecture significantly improves the electrochemical performance of carbon-based materials.
C1 [Tan, Guoqiang; Bao, Wurigumula; Wu, Feng; Wang, Jing] Beijing Inst Technol, Sch Mat Sci & Engn, Beijing Key Lab Environm Sci & Engn, Beijing 100081, Peoples R China.
[Tan, Guoqiang; Yuan, Yifei; Amine, Khalil; Lu, Jun] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Lemont, IL 60439 USA.
[Yuan, Yifei; Shahbazian-Yassar, Reza] Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA.
[Liu, Zhun] Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China.
[Wu, Feng; Wang, Jing] Collaborat Innovat Ctr Elect Vehicles Beijing, Beijing 100081, Peoples R China.
[Wu, Feng; Wang, Jing] Natl Dev Ctr High Technol Green Mat, Beijing 100081, Peoples R China.
RP Wang, J (reprint author), Beijing Inst Technol, Sch Mat Sci & Engn, Beijing Key Lab Environm Sci & Engn, Beijing 100081, Peoples R China.; Lu, J (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Lemont, IL 60439 USA.; Wang, J (reprint author), Collaborat Innovat Ctr Elect Vehicles Beijing, Beijing 100081, Peoples R China.; Wang, J (reprint author), Natl Dev Ctr High Technol Green Mat, Beijing 100081, Peoples R China.
EM wangjingbit98@bit.edu.cn; junlu@anl.gov
FU National Basic Research Program of China [2015CB251100]; National Key
Research and Development Program of China for New Energy Vehicle
[2016YFB0100400]; U.S. Department of Energy [DE-AC0206CH11357]; Vehicle
Technologies Office, Department of Energy (DOE) Office of Energy
Efficiency and Renewable Energy (EERE)
FX This work was. nancially supported by the National Basic Research
Program of China (2015CB251100), and National Key Research and
Development Program of China for New Energy Vehicle (2016YFB0100400).
This work was also supported by the U.S. Department of Energy under
Contract DE-AC0206CH11357 with the support provided by the Vehicle
Technologies Office, Department of Energy (DOE) Office of Energy
Efficiency and Renewable Energy (EERE).
NR 40
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U1 4
U2 4
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 2017
VL 5
IS 11
BP 5532
EP 5540
DI 10.1039/c7ta00969k
PG 9
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EP8DE
UT WOS:000397605300033
ER
PT J
AU Ong, PV
Johnson, LE
Hosono, H
Sushko, PV
AF Phuong-Vu Ong
Johnson, Lewis E.
Hosono, Hideo
Sushko, Peter V.
TI Structure and stability of CaH2 surfaces: on the possibility of
electron-rich surfaces in metal hydrides for catalysis
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; WORK FUNCTION;
AMMONIA-SYNTHESIS; DESORPTION ENERGY; STABLE ELECTRIDE; CALCIUM HYDRIDE;
LOW-TEMPERATURE; OXIDE; ION
AB Structure, thermodynamic stability, and electronic properties of CaH2 surfaces in (001), (110), and (111) crystallographic orientations are investigated using ab initio modeling. We show that stoichiometric surfaces terminated with a hydrogen atomic plane are the most energetically favorable and discuss properties of hydrogen vacancies (VH) at these surfaces. The average calculated work function of the most stable pristine surfaces (similar to 5.2 eV) is in agreement with experimental data for powder samples. Neutral hydrogen vacancies host localized electrons and induce defect states in the band gap, thereby shifting the effective work function to much lower values of similar to 2.7 eV. Surface VH are predicted to aggregate into dimers and form electron-rich centers (e(-))Ca2+(e(-)) stable to over 800 K. These results suggest that hydrogen-deficient surfaces of CaH2 can host a large concentration of localized electrons and, thus, give rise to new catalytic functionalities involving electron transfer between the surface, catalysts supported on it, and reacting species.
C1 [Phuong-Vu Ong; Johnson, Lewis E.; Sushko, Peter V.] Pacific Northwest Natl Lab, Phys Sci Div, Phys & Computat Sci Directorate, Richland, WA 99352 USA.
[Hosono, Hideo] Tokyo Inst Technol, Mat Res Ctr Element Strategy, Midori Ku, 4259 Nagatsuta, Yokohama, Kanagawa 2268053, Japan.
RP Ong, PV (reprint author), Pacific Northwest Natl Lab, Phys Sci Div, Phys & Computat Sci Directorate, Richland, WA 99352 USA.; Hosono, H (reprint author), Tokyo Inst Technol, Mat Res Ctr Element Strategy, Midori Ku, 4259 Nagatsuta, Yokohama, Kanagawa 2268053, Japan.
EM phuong-vu.ong@pnnl.gov; hosono@msl.titech.ac.jp
OI ONG, PHUONG VU/0000-0001-8613-1690
FU Accelerated Innovation Research Initiative Turning Top Science and Ideas
into HighImpact Values (ACCEL) program of the Japan Science and
Technology Agency; MEXT/JSPS KAKENHI; Laboratory Directed Research and
Development program at Pacific Northwest National Laboratory (PNNL);
Battelle for the US Department of Energy [DE-AC05-76RLO1830]
FX This work was supported by the Accelerated Innovation Research
Initiative Turning Top Science and Ideas into HighImpact Values (ACCEL)
program of the Japan Science and Technology Agency. A part of this
research was supported by the MEXT/JSPS KAKENHI Granted to HH. P. V. S.
was supported by the Laboratory Directed Research and Development
program at Pacific Northwest National Laboratory (PNNL), a multiprogram
national laboratory operated by Battelle for the US Department of Energy
under Contract DE-AC05-76RLO1830. Calculations were performed using PNNL
Institutional Computing (PIC) resources.
NR 56
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U2 0
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 2017
VL 5
IS 11
BP 5550
EP 5558
DI 10.1039/c6ta09561e
PG 9
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EP8DE
UT WOS:000397605300035
ER
PT J
AU Arges, CG
Kambe, Y
Dolejsi, M
Wu, GP
Segal-Pertz, T
Ren, JX
Cao, C
Craig, GSW
Nealey, PF
AF Arges, Christopher G.
Kambe, Yu
Dolejsi, Moshe
Wu, Guang-Peng
Segal-Pertz, Tamar
Ren, Jiaxing
Cao, Chi
Craig, Gordon S. W.
Nealey, Paul F.
TI Interconnected ionic domains enhance conductivity in microphase
separated block copolymer electrolytes
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID ROTATING-DISK ELECTRODE; TRANSPORT-PROPERTIES; EXCHANGE MEMBRANES;
TRIBLOCK COPOLYMER; LIQUID-MEMBRANES; POLYMERS; NANOCHANNELS;
FABRICATION; STRATEGIES; PATTERNS
AB Block copolymer electrolytes (BCEs) represent an attractive choice as solid-state ionic conductors for electrochemical technologies used in energy storage and conversion, water treatment, sensors, and data storage and processing. Unlocking the maximum ionic conductivity of BCEs requires an intimate understanding as to how the microphase separated structure influences transport properties. However, elucidating such knowledge remains elusive due to the challenging task of precisely engineering BCEs with a defined structure in bulk materials. In this work, we examined BCEs in a thin film format because it was amenable to attaining BCEs with a desired nanostructure. Specifically, we systematically investigated anion-conducting BCEs with different degrees of connectivity of the ionic domains. For the first time, we demonstrate that increasing terminal defects in the ionic domain from 1 terminal defect per mu m(2) to 20 terminal defects per mu m(2) ( a relatively small amount of defects) decreased ionic conductivity by 67% compared to the maximum value attained. Conversely, maximizing ionic domain connectivity increased the ionic conductivity by two-fold over a non-ordered BCE film. These experiments highlight that microphase separation alone was insufficient for ameliorating ionic conductivity in BCEs. Rather, microphase separation coupled with complete ionic domain connectivity realized BCEs with significantly enhanced ionic conductivity.
C1 [Arges, Christopher G.; Cao, Chi] Louisiana State Univ, Cain Dept Chem Engn, Baton Rouge, LA 70803 USA.
[Kambe, Yu; Dolejsi, Moshe; Segal-Pertz, Tamar; Ren, Jiaxing; Craig, Gordon S. W.; Nealey, Paul F.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA.
[Kambe, Yu; Dolejsi, Moshe; Segal-Pertz, Tamar; Ren, Jiaxing; Nealey, Paul F.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Wu, Guang-Peng] Zhejiang Univ, Dept Polymer Sci & Engn, Key Lab Adsorpt & Separat Mat & Technol Zhejiang, MOE Key Lab Macromol Synth & Functionalizat, Hangzhou 310027, Zhejiang, Peoples R China.
RP Arges, CG (reprint author), Louisiana State Univ, Cain Dept Chem Engn, Baton Rouge, LA 70803 USA.
EM carges@lsu.edu; nealey@uchicago.edu
OI Kambe, Yu/0000-0002-1422-350X; Arges, Christopher/0000-0003-1703-8323
NR 44
TC 0
Z9 0
U1 2
U2 2
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 2017
VL 5
IS 11
BP 5619
EP 5629
DI 10.1039/c6ta10838e
PG 11
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EP8DE
UT WOS:000397605300043
ER
PT J
AU Huber, SP
Gullikson, E
Meyer-Ilse, J
Frye, CD
Edgar, JH
van de Kruijs, RWE
Bijkerk, F
Prendergast, D
AF Huber, S. P.
Gullikson, E.
Meyer-Ilse, J.
Frye, C. D.
Edgar, J. H.
van de Kruijs, R. W. E.
Bijkerk, F.
Prendergast, D.
TI Detection of defect populations in superhard semiconductor boron
subphosphide B12P2 through X-ray absorption spectroscopy
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID BRILLOUIN-ZONE INTEGRATIONS; RICH SOLIDS; CRYSTALS; NITRIDE
AB Recent theoretical work has shown for the first time how the experimentally observed property of "self-healing" of the superhard semiconductor boron subphosphide (B12P2) arises through a process of mediated defect recombination. Experimental verification of the proposed mechanism would require a method that can detect and distinguish between the various defect populations that can exist in B12P2. X-ray absorption near-edge spectroscopy (XANES) is such a method and in this work we present experimentally collected spectra of B12P2 samples with varying crystalline qualities. By simulating the Xray spectroscopic signatures of potential crystallographic point defects from first-principles within the density functional theory framework, the presence of defect populations can be determined through spectroscopic fingerprinting. Our results find an increasing propensity for the presence of phosphorus vacancy defects in samples deposited at lower temperatures but no evidence for comparable populations of boron vacancies in all the samples that have been studied. The absence of large amounts of boron vacancies is in line with the "self-healing" property of B12P2.
C1 [Huber, S. P.; Prendergast, D.] Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Huber, S. P.; Bijkerk, F.] Univ Twente, MESA Res Inst Nanotechnol, Ind Focus Grp XUV Opt, POB 217, NL-7500 AE Enschede, Netherlands.
[Gullikson, E.; Meyer-Ilse, J.] Lawrence Berkeley Natl Lab, Ctr X Ray Opt, Berkeley, CA 94720 USA.
[Frye, C. D.; Edgar, J. H.] Kansas State Univ, Dept Chem Engn, Manhattan, KS 66506 USA.
RP Huber, SP (reprint author), Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.; Huber, SP (reprint author), Univ Twente, MESA Res Inst Nanotechnol, Ind Focus Grp XUV Opt, POB 217, NL-7500 AE Enschede, Netherlands.
EM mail@sphuber.net
NR 30
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U1 0
U2 0
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 2017
VL 5
IS 12
BP 5737
EP 5749
DI 10.1039/c6ta10935g
PG 13
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EP8DP
UT WOS:000397606400011
ER
PT J
AU Pei, YC
Qi, ZY
Li, XL
Maligal-Ganesh, RV
Goh, TW
Xiao, CX
Wang, TY
Huang, WY
AF Pei, Yuchen
Qi, Zhiyuan
Li, Xinle
Maligal-Ganesh, Raghu V.
Goh, Tian Wei
Xiao, Chaoxian
Wang, Tianyu
Huang, Wenyu
TI Morphology inherence from hollow MOFs to hollow carbon polyhedrons in
preparing carbon-based electrocatalysts
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; OXYGEN REDUCTION REACTION; HIGH-SURFACE-AREA;
HIERARCHICALLY POROUS CARBON; HYDROGEN STORAGE CAPACITY; LITHIUM-ION
BATTERIES; MEMBRANE FUEL-CELLS; SPHERES; NITROGEN; CATALYSIS
AB Hollow carbon nanostructures are emerging as advanced electrocatalysts for the oxygen reduction reaction (ORR) due to the effective usage of active sites and the reduced dependence on expensive noble metals. Conventional preparation of these hollow structures is achieved through templates (e.g. SiO2, CdS, and Ni3C), which serve to retain the void interiors during carbonization, leading to an essential template-removal procedure using hazardous chemical etchants. Herein, we demonstrate the direct carbonization of unique hollow zeolitic imidazolate frameworks (ZIFs) for the synthesis of hollow carbon polyhedrons (HCPs) with well-defined morphologies. The hollow ZIF particles behave bi-functionally as a carbon source and a morphology directing agent. This method evidences the strong morphology inherence from the hollow ZIFs during the carbonization, advancing the significant simplicity and environmental friendliness of this synthesis strategy. The as-prepared HCPs show a uniform polyhedral morphology and large void interiors, which enable their superior ORR activity. Iron can be doped into the HCPs (Fe/HCPs), providing the Fe/HCPs with enhanced ORR properties (E-1/2 - 0.850 V) in comparison with those of HCPs. We highlight the efficient structural engineering to transform ZIFs into advanced carbon nanostructures accomplishing morphological control and high electrocatalytic activity.
C1 [Pei, Yuchen; Qi, Zhiyuan; Li, Xinle; Maligal-Ganesh, Raghu V.; Goh, Tian Wei; Xiao, Chaoxian; Huang, Wenyu] Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
[Pei, Yuchen; Qi, Zhiyuan; Li, Xinle; Maligal-Ganesh, Raghu V.; Goh, Tian Wei; Huang, Wenyu] US DOE, Ames Lab, Ames, IA 50011 USA.
[Wang, Tianyu] Iowa State Univ, Dept Mech Engn, Ames, IA 50011 USA.
RP Huang, WY (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA.; Huang, WY (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA.
EM whuang@iastate.edu
OI Goh, Tian Wei/0000-0002-4141-3392; Huang, Wenyu/0000-0003-2327-7259
FU Ames Laboratory (Royalty Account); Iowa State University; U.S.
Department of Energy by Iowa State University [DE-AC02-07CH11358]
FX We are grateful for the start-up fund support from the Ames Laboratory
(Royalty Account) and Iowa State University. The Ames Laboratory is
operated for the U.S. Department of Energy by Iowa State University
under Contract No. DE-AC02-07CH11358. We thank Gordon J. Miller for the
use of the X-ray diffractometer, Igor I. Slowing for the use of the
ICP-OES, Xinwei Wang for the use of the Raman spectrometer, and Dapeng
Jing for assistance in XPS measurements.
NR 54
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U1 4
U2 4
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 2017
VL 5
IS 13
BP 6186
EP 6192
DI 10.1039/c6ta10609a
PG 7
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EP8EF
UT WOS:000397608000025
ER
PT J
AU Han, D
Du, MH
Dai, CM
Sun, DY
Chen, SY
AF Han, Dan
Du, Mao-Hua
Dai, Chen-Min
Sun, Deyan
Chen, Shiyou
TI Influence of defects and dopants on the photovoltaic performance of
Bi2S3: first-principles insights
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID HETEROJUNCTION SOLAR-CELLS; ENHANCED THERMOELECTRIC PERFORMANCE;
ELECTRONIC-PROPERTIES; NATIVE DEFECTS; FILM; SEMICONDUCTORS; ABSORBERS;
NANOCRYSTALS; NANORODS; ORIGINS
AB Bi2S3 has attracted extensive attention recently as a light-absorber, sensitizer or electron acceptor material in various solar cells. Using first-principles calculations, we find that the photovoltaic efficiency of Bi2S3 solar cells is limited by its intrinsic point defects, i.e., both S vacancy and S interstitial can have high concentration and produce deep defect levels in the bandgap, leading to non-radiative recombination of electron-hole carriers and reduced minority carrier lifetime. Unexpectedly most of the intrinsic defects in Bi2S3, including even the S interstitial, act as donor defects, explaining the observed n-type conductivity and also causing the high p-type conductivity impossible thermodynamically. Doping in Bi2S3 by a series of extrinsic elements is studied, showing that most of the dopant elements such as Cu, Br and Cl make the material even more n-type and only Pb doping makes it weakly p-type. Based on this, we propose that the surface region of n-type Bi2S3 nanocrystals in p-PbS/n-Bi2S3 nano-heterojunction solar cells may be type-inverted into p-type due to Pb doping, with a buried p-n junction formed in the Bi2S3 nanocrystals, which provides a new explanation to the longer carrier lifetime and higher efficiency [Nat. Photonics, 6, 529 (2012)]. Considering the relatively low conduction band and high n-type conductivity, we predict that Cu, Br and Cl doped Bi2S3 may be an ideal n-type electron acceptor or counter electrode material, while the performance of Bi2S3 as a light-absorber or sensitizer material is intrinsically limited.
C1 [Han, Dan; Sun, Deyan] East China Normal Univ, Dept Phys, Shanghai 200241, Peoples R China.
[Han, Dan; Dai, Chen-Min; Chen, Shiyou] East China Normal Univ, Key Lab Polar Mat & Devices MOE, Shanghai 200241, Peoples R China.
[Du, Mao-Hua; Chen, Shiyou] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RP Sun, DY (reprint author), East China Normal Univ, Dept Phys, Shanghai 200241, Peoples R China.; Chen, SY (reprint author), East China Normal Univ, Key Lab Polar Mat & Devices MOE, Shanghai 200241, Peoples R China.; Chen, SY (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
EM dysun@phy.ecnu.edu.cn; chensy@ee.ecnu.edu.cn
FU National Natural Science Foundation of China (NSFC) [61574059]; Shanghai
Rising-Star Program [14QA1401500]; Shu-Guang program [15SG20]; National
Key Research and Development Program of China [2016YFB0700700]; CC of
ECNU; U. S. Department of Energy, Office of Science, Basic Energy
Sciences, Materials Sciences and Engineering Division
FX This work was supported by the National Natural Science Foundation of
China (NSFC) under grant No. 61574059, Shanghai Rising-Star Program
(14QA1401500), Shu-Guang program (15SG20), National Key Research and
Development Program of China (2016YFB0700700) and CC of ECNU. This
research was supported in part by an appointment to the Higher Education
Research Experience for Faculty at Oak Ridge National Laboratory
Program. Mao-Hua Du was supported by the U. S. Department of Energy,
Office of Science, Basic Energy Sciences, Materials Sciences and
Engineering Division.
NR 63
TC 0
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U1 3
U2 3
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 2017
VL 5
IS 13
BP 6200
EP 6210
DI 10.1039/c6ta10377d
PG 11
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EP8EF
UT WOS:000397608000027
ER
PT J
AU Li, B
Liu, J
AF Li, Bin
Liu, Jun
TI Progress and directions in low-cost redox-flow batteries for large-scale
energy storage
SO NATIONAL SCIENCE REVIEW
LA English
DT Review
DE redox-flow batteries; energy storage; large scale; cost; electrolytes
ID MICROPHASE SEPARATION STRUCTURE; ORGANIC ELECTRODE MATERIALS;
ELECTROCHEMICAL PROPERTIES; POLYMER ELECTROLYTE; LITHIUM BATTERIES; CELL
ELECTROLYTE; AQUEOUS CATHODE; ION BATTERIES; PERFORMANCE; COMPLEXES
AB Compared to lithium-ion batteries, redox-flow batteries have attracted widespread attention for long-duration, large-scale energy-storage applications. This review focuses on current and future directions to address one of the most significant challenges in energy storage: reducing the cost of redox-flow battery systems. A high priority is developing aqueous systems with low-cost materials and high-solubility redox chemistries. Highly water-soluble inorganic redox couples are important for developing technologies that can provide high energy densities and low-cost storage. There is also great potential to rationally design organic redox molecules and fine-tune their properties for both aqueous and non-aqueous systems. While many new concepts begin to blur the boundary between traditional batteries and redox-flow batteries, breakthroughs in identifying/developing membranes and separators and in controlling side reactions on electrode surfaces also are needed.
C1 [Li, Bin; Liu, Jun] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Li, B; Liu, J (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM bin.li@pnnl.gov; jun.liu@pnnl.gov
FU US Department of Energy (DOE)'s Office of Electricity Delivery and
Energy Reliability [57558]; DOE Office of Basic Energy Sciences,
Division of Materials Sciences and Engineering [KC020105-FWP12152]; DOE
[DE-AC05-76RL01830]
FX The work was supported by the US Department of Energy (DOE)'s Office of
Electricity Delivery and Energy Reliability (57558) for the redox-flow
battery research conducted at Pacific Northwest National Laboratory. The
work was also supported by the DOE Office of Basic Energy Sciences,
Division of Materials Sciences and Engineering under Award
(KC020105-FWP12152) for developing and organizing this manuscript.
Pacific Northwest National Laboratory is a multi-program national
laboratory operated by Battelle for the DOE under Contract
DE-AC05-76RL01830.
NR 96
TC 0
Z9 0
U1 5
U2 5
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 2095-5138
EI 2053-714X
J9 NATL SCI REV
JI Natl. Sci. Rev.
PD JAN
PY 2017
VL 4
IS 1
BP 91
EP 105
DI 10.1093/nsr/nww098
PG 15
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA EQ0NJ
UT WOS:000397767600015
ER
PT J
AU Yen, HJ
Shan, CS
Wang, L
Xu, P
Zhou, M
Wang, HL
AF Yen, Hung-Ju
Shan, Changsheng
Wang, Leeyih
Xu, Ping
Zhou, Ming
Wang, Hsing-Lin
TI Development of Conjugated Polymers for Memory Device Applications
SO POLYMERS
LA English
DT Review
DE conjugated polymer; memory device; dynamic random access memory (DRAM);
static random access memory (SRAM); write-once read-many-times (WORM);
flash
ID DONOR-ACCEPTOR POLYMERS; RESISTIVE SWITCHING BEHAVIOR; MANY-TIMES
MEMORY; ELECTRICAL BISTABILITY; THIN-FILMS; RIGID-ROD; IRIDIUM(III)
COMPLEXES; FUNCTIONAL POLYIMIDE; MOLECULAR COMPOSITES; OPTICAL-MATERIALS
AB This review summarizes the most widely used mechanisms in memory devices based on conjugated polymers, such as charge transfer, space charge traps, and filament conduction. In addition, recent studies of conjugated polymers for memory device applications are also reviewed, discussed, and differentiated based on the mechanisms and structural design. Moreover, the electrical conditions of conjugated polymers can be further fine-tuned by careful design and synthesis based on the switching mechanisms. The review also emphasizes and demonstrates the structure-memory properties relationship of donor-acceptor conjugated polymers for advanced memory device applications.
C1 [Yen, Hung-Ju; Shan, Changsheng; Wang, Hsing-Lin] Los Alamos Natl Lab, Phys Chem & Appl Spect C PCS, Div Chem, Los Alamos, NM 87545 USA.
[Wang, Leeyih] Natl Taiwan Univ, Ctr Condensed Matter Sci, 1 Roosevelt Rd,4th Sec, Taipei 10617, Taiwan.
[Xu, Ping] Harbin Inst Technol, Sch Chem & Chem Engn, Harbin 150001, Peoples R China.
[Zhou, Ming] Northeast Normal Univ, Dept Chem, Changchun 130024, Peoples R China.
RP Yen, HJ (reprint author), Los Alamos Natl Lab, Phys Chem & Appl Spect C PCS, Div Chem, Los Alamos, NM 87545 USA.
EM d96549005@ntu.edu.tw; csshan720@gmail.com; leewang@ntu.edu.tw;
pxu@hit.edu.cn; zhoum739@nenu.edu.cn; wangxl3@sustc.edu.cn
NR 71
TC 0
Z9 0
U1 5
U2 5
PU MDPI AG
PI BASEL
PA ST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLAND
SN 2073-4360
J9 POLYMERS-BASEL
JI Polymers
PD JAN
PY 2017
VL 9
IS 1
AR 25
DI 10.3390/polym9010025
PG 16
WC Polymer Science
SC Polymer Science
GA EO1PS
UT WOS:000396471000022
ER
PT B
AU Crocker, RW
Haroldsen, BL
Stofleth, JH
Yip, M
AF Crocker, Robert W.
Haroldsen, Brent L.
Stofleth, Jerome H.
Yip, Mien
BE Watanabe, T
Kaiktsis, L
Giannopapa, CG
TI EDS CONTAINMENT VESSEL EXPLOSIVE TEST AND ANALYSIS
SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE, 2016,
VOL 4
LA English
DT Proceedings Paper
CT ASME Pressure Vessels and Piping Conference
CY JUL 17-21, 2016
CL Vancouver, CANADA
SP ASME, Pressure Vessels & Pip Div
AB This report documents the results of two of tests that were performed on an explosive containment vessel at Sandia National Laboratories in Albuquerque, New Mexico in July 2013 to provide some deeper understanding of the effects of charge geometry on the vessel response [1]. The vessel was fabricated under Code Case 2564 of the ASME Boiler and Pressure Vessel Code, which provides rules for the design of impulsively loaded vessels [2]. The explosive rating for the vessel, based on the Code Case, is nine (9) pounds TNT equivalent. One explosive test consisted of a single, centrally located, 7.2 pound bare charge of Composition C-4 (equivalent to 9 pounds TNT). The other test used six each 1.2 pound charges of Composition C-4 (7.2 pounds total) distributed in two bays of three.
C1 [Crocker, Robert W.; Haroldsen, Brent L.; Yip, Mien] Sandia Natl Labs, Livermore, CA 94551 USA.
[Stofleth, Jerome H.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
RP Crocker, RW (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA.
FU US Army Chemical Materials Agency (CMA) Recovered Chemical Materiel
Directorate (RCMD); U.S. Department of Energy's National Nuclear
Security Administration [DE-AC04-94AL85000]
FX This work was funded and directed by the US Army Chemical Materials
Agency (CMA) Recovered Chemical Materiel Directorate (RCMD). 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 4
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5040-4
PY 2017
AR UNSP V004T04A023
PG 8
WC Engineering, Mechanical
SC Engineering
GA BH0YO
UT WOS:000397071300023
ER
PT B
AU Wright, JK
Carroll, LJ
Sham, TL
Lybeck, NJ
Wright, RN
AF Wright, J. K.
Carroll, L. J.
Sham, T. -L.
Lybeck, N. J.
Wright, R. N.
BE Karpanan, K
Gross, DJ
Mohanty, S
Nitzel, ME
TI DETERMINATION OF THE CREEP-FATIGUE INTERACTION DIAGRAM FOR ALLOY 617
SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE, 2016,
VOL 5
LA English
DT Proceedings Paper
CT ASME Pressure Vessels and Piping Conference
CY JUL 17-21, 2016
CL Vancouver, CANADA
SP ASME, Pressure Vessels & Pip Div
ID NICKEL-ALLOY; INCONEL-617
AB Alloy 617 is the leading candidate material for an intermediate heat exchanger for the very high temperature reactor (VHTR). As part of evaluating the behavior of this material in the expected service conditions, creep fatigue testing was performed. The cycles to failure decreased compared to fatigue values when a hold time was added at peak tensile strain. At 850 degrees C, increasing the tensile hold duration continued to degrade the creep fatigue resistance, at least to the investigated strain controlled hold time of up to 60 minutes at the 0.3% strain range and 240 minutes at the 1.0% strain range. At 950 degrees C, the creep fatigue cycles to failure are not further reduced with increasing hold duration, indicating saturation occurs at relatively short hold times. The creep and fatigue damage fractions have been calculated and plotted on a creep fatigue interaction D-diagram. Test data from creep fatigue tests at 800 and 1000 degrees C on an additional heat of Alloy 617 are also plotted on the D-diagram.
C1 [Wright, J. K.; Carroll, L. J.; Lybeck, N. J.; Wright, R. N.] Idaho Natl Lab, Idaho Falls, ID 83402 USA.
[Sham, T. -L.] Argonne Natl Lab, Argonne, IL USA.
RP Wright, JK (reprint author), Idaho Natl Lab, Idaho Falls, ID 83402 USA.
FU U.S. Department of Energy Office of Nuclear Energy; U.S. Department of
Energy [DE-AC07-05ID14517, DE-AC02-06CH11357]
FX This work was supported through the U.S. Department of Energy Office of
Nuclear Energy. This manuscript has been co-authored by Battelle Energy
Alliance, LLC under Contract No. DE-AC07-05ID14517, and by UChicago
Argonne LLC under Contract No. DE-AC02-06CH11357, with the U.S.
Department of Energy. The United States Government retains and the
publisher, by accepting the article for publication, acknowledges that
the United States Government retains a nonexclusive, paid up,
irrevocable, world wide license to publish or reproduce the published
form of this manuscript, or allow others to do so, for United States
Government purposes.
NR 13
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5041-1
PY 2017
AR UNSP V005T12A004
PG 10
WC Engineering, Mechanical
SC Engineering
GA BH0YP
UT WOS:000397071600070
ER
PT B
AU Hensel, SJ
Kyriazidis, LL
Skidmore, EJ
Askew, NM
AF Hensel, Steve J.
Kyriazidis, Lucas L.
Skidmore, Eric J.
Askew, Neal M.
BE Cheta, A
Shoji, Y
TI EVALUATION OF POLYVINYL CHLORIDE BAGS DURING PLUTONIUM STORAGE
SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE, 2016,
VOL 7
LA English
DT Proceedings Paper
CT ASME Pressure Vessels and Piping Conference
CY JUL 17-21, 2016
CL Vancouver, CANADA
SP ASME, Pressure Vessels & Pip Div
ID LOW-TEMPERATURES; DEGRADATION; PRODUCTS
AB This evaluation considers the storage of plutonium materials in 9975 shipping packages at the Savannah River Site (SRS) K-Area Complex (KAC). The materials are packaged in a can bag can configuration where the outer can is a screw lid filtered can and the inner can is a slip lid filtered can (filters for both cans are located in the can lid). The inner slip lid can is secured using polyvinyl chloride tape. A filtered plasticized polyvinyl chloride (pPVC) bag is used to bag out the slip lid can from the glove box where the plutonium oxide is packaged. The filtered bag and slip lid can are placed into the outer screw lid can outside the glove box. This can bag can configuration is packaged into a 9975 shipping package for storage. An empty "dummy" tin plated carbon steel can (with a hole in the lid) is packaged on top of the screw lid can inside the 9975 Primary Containment Vessel (PCV). The threshold heat generation such that the thermal decomposition of the pPVC bag is precluded is 7 Watts. In addition, the maximum 9975 PCV pressure is computed for normal conditions of storage of the 9975 shipping package in K-Area Complex (KAC).
C1 [Hensel, Steve J.; Kyriazidis, Lucas L.; Skidmore, Eric J.; Askew, Neal M.] Savannah River Nucl Solut, Savannah River Site, Aiken, SC 29808 USA.
RP Hensel, SJ (reprint author), Savannah River Nucl Solut, Savannah River Site, Aiken, SC 29808 USA.
EM steve.hensel@srs.gov; lucas.kyriazidis@srs.gov;
eric.skidmore@srnl.doe.gov; neal.askew@srnl.doe.qov
NR 12
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5045-9
PY 2017
PG 6
WC Engineering, Mechanical
SC Engineering
GA BH0YQ
UT WOS:000397071700030
ER
PT B
AU Hensel, SJ
Lee, S
AF Hensel, Steve J.
Lee, Si
BE Cheta, A
Shoji, Y
TI THERMAL GRADIENT WITHIN DOE 3013 CONTAINERS DURING STORAGE
SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE, 2016,
VOL 7
LA English
DT Proceedings Paper
CT ASME Pressure Vessels and Piping Conference
CY JUL 17-21, 2016
CL Vancouver, CANADA
SP ASME, Pressure Vessels & Pip Div
AB The Department of Energy (DOE) Model 9975 Package is used to store plutonium bearing materials at the Savannah River Site (SRS). The plutonium is packaged in a 3013 container which consists of a convenience container, an inner welded container, and an outer welded container [1]. All containers are made of stainless steel. A portion of the population of 3013 containers have plutonium oxide with alkaline earth chloride salts. Temperatures and temperature gradients within the 3013 container are useful to evaluate the transport of water vapor and potential corrosion in the inner container, particularly near the weld region. Thermal analyses of plutonium oxide packaged in 3013 containers which are stored in 9975 shipping packages were performed with emphasis on the temperatures and temperature gradients between the plutonium oxide and the inner container weld region. Thermal analyses investigated various plutonium oxide fill levels, heat generation, plutonium oxide thermal conductivity and 9975 package boundary conditions. Not surprisingly, the results suggest the source heat is mostly dissipated radially outward as opposed to the vertical direction, and the 9975 package is insensitive to an adiabatic top and bottom surface boundary condition versus an adiabatic bottom surface assumption. The temperatures at locations of interest, such as the inner container weld region and the plutonium oxide centerline temperature may be correlated as a linear function of thermal loading and ambient temperature.
C1 [Hensel, Steve J.; Lee, Si] Savannah River Nucl Solut, Savannah River Site, Aiken, SC 29808 USA.
RP Hensel, SJ (reprint author), Savannah River Nucl Solut, Savannah River Site, Aiken, SC 29808 USA.
EM steve.hensel@srs.qov; si.lee@srnl.doe.gov
NR 5
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5045-9
PY 2017
PG 6
WC Engineering, Mechanical
SC Engineering
GA BH0YQ
UT WOS:000397071700029
ER
PT B
AU Johnson, J
McKeel, C
Leduc, D
AF Johnson, Joshua
McKeel, Charles
Leduc, Dan
BE Cheta, A
Shoji, Y
TI INFLUENCE OF RESTRAINT STIFFNESS AND PRELOAD ON DISTRIBUTION OF REACTION
LOADS
SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE, 2016,
VOL 7
LA English
DT Proceedings Paper
CT ASME Pressure Vessels and Piping Conference
CY JUL 17-21, 2016
CL Vancouver, CANADA
SP ASME, Pressure Vessels & Pip Div
AB With recent advancements in the production of plastic materials the use of woven plastic webbings (Nylon, Polyester, etc) has increased due to decreased cost, increased load rating, greater ease of use over chains, and an increasingly proven history of use. However a common misconception is that chains and plastic webbing can be interchanged as long as the webbing has a sufficient load rating.
Packages in transport are commonly secured by an arrangement of rigid blocks (chock blocks) at the base and chains, cables, or straps to the top. Analysts are apt to evaluate restraint loads by distributing the prescribed shipping loads based on relatively simple free body diagrams, assuming rigid body mechanics. However, due to the lower stiffness of plastic webbing these rigid body assumptions are not always valid, and may lead to incorrect or misleading results.
C1 [Johnson, Joshua; McKeel, Charles; Leduc, Dan] Savannah River Natl Lab, Aiken, SC 29808 USA.
RP Johnson, J (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA.
EM joshua02.johnson@srs.gov; charles.mckeel@srnl.doe.gov;
dan.leduc@srnl.doe.gov
FU [DE-AC09-08SR22470]
FX The United States Government retains, and by accepting the article for
publication, the publisher acknowledges that the Unites States
Government retains, a non-exclusive, paid-up, irrevocable worldwide
license to publish or reproduce the published form of this work, or
allow others to do so, for United States Government purposes. This work
was prepared under Federal Contract DE-AC09-08SR22470.
NR 1
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5045-9
PY 2017
PG 10
WC Engineering, Mechanical
SC Engineering
GA BH0YQ
UT WOS:000397071700033
ER
PT B
AU Laurinat, JE
Kesterson, MR
Hensel, SJ
AF Laurinat, James E.
Kesterson, Matthew R.
Hensel, Steve J.
BE Cheta, A
Shoji, Y
TI PRESSURIZATION ANALYSIS FOR FLAME HEATING OF A SCREW TOP UTILITY CAN
LOADED WITH PLUTONIUM OXIDE POWDER
SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE, 2016,
VOL 7
LA English
DT Proceedings Paper
CT ASME Pressure Vessels and Piping Conference
CY JUL 17-21, 2016
CL Vancouver, CANADA
SP ASME, Pressure Vessels & Pip Div
ID DENSITY POLYETHYLENE; PYROLYSIS
AB The documented safety analysis for the Savannah River Site (SRS) evaluates the consequences of a postulated 1000 degrees C (1273 K) fire in a glovebox. The radiological dose consequences for a pressurized release of plutonium oxide powder during such a fire depend on the maximum pressure that is attained inside the oxide storage containers. To enable evaluation of the dose consequences, temperature and pressure transients have been calculated for exposure of a typical set of storage containers to the fire. The oxide storage configuration selected for analysis is can/bag/can, comprised of oxide powder inside an 8.38E-6 m(3) stainless steel B vial inside 0.006 kg of polyethylene bagging inside a one-quart screw top utility can of the type commonly used to package solvents or rubber cements.
The analysis accounts for pressurization from gases generated by pyrolysis of the polyethylene bagging and evaporation of moisture adsorbed onto the oxide powder. Results were obtained for different can orientations and different surface fire exposures, with and without initial pressurization of the B vial by hydrogen from the radiolysis of moisture. Based on the results of hydrogen back pressure tests for plutonium oxide powders loaded with moisture, the initial gauge pressure from radiolytic hydrogen was set at a bounding value of 82 psig (5.65E5 Pa). The pressurization analysis credits venting to and from the B vial but does not credit venting or leakage from the can.
Calculated maximum gauge pressures inside the utility can range from 1.98E5 Pa for an upright can exposed to fire on only one side, to 7.78E5 Pa for an upright can engulfed by fire. Maximum gauge pressures inside the B vial vary from 1.36E5 to 1.43E6 Pa. Due to the low rate of venting from the B vial into the can gas space, the can pressure is nearly independent of the B vial pressure.
Calculated maximum pressures are compared to the utility can burst pressure. In lieu of an analytic structural analysis of the utility cans, burst pressures and leakage rates were measured using compressed nitrogen gas. Leakage of gas through the can lid thread and seams prevented the test apparatus from reaching the burst pressure. To achieve the burst pressure, it was necessary to seal the can lid threads and seams by brazing. The measured gauge burst pressure was 2.50E5 +/- 0.43E5 Pa. The measured burst pressures are lower than the calculated maximum pressure due to fire exposure, indicating that the utility cans could burst during exposure to a 1000 degrees C (1273 K) fire.
Leakage rates were measured for cans initially pressurized to a gauge pressure of 1.24E5 Pa. The measured leakage rates were found to be proportional to the gauge pressure inside the can, with a time constant for leakage of 0.424 +/- 0.010 reciprocal seconds. The leakage time constants follow a threshold Weibull distribution.
C1 [Laurinat, James E.; Kesterson, Matthew R.] Savannah River Natl Lab, Savannah River Site, Aiken, SC 29808 USA.
[Hensel, Steve J.] Savannah River Nucl Solut LLC, Savannah River Site, Aiken, SC 29808 USA.
RP Laurinat, JE (reprint author), Savannah River Natl Lab, Savannah River Site, Aiken, SC 29808 USA.
EM james.laurinat@srnl.doe.qov; matthew.kesterson@srnl.doe.gov;
steve.hensel@srnl.doe.cov
FU [DE-AC09-08SR22470]
FX The United States Government retains, and by accepting the article for
publication, the publisher acknowledges that the Unites States
Government retains, a non-exclusive, paid-up, irrevocable worldwide
license to publish or reproduce the published form of this work, or
allow others to do so, for United States Government purposes. This work
was prepared under Federal Contract DE-AC09-08SR22470.
NR 21
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5045-9
PY 2017
PG 10
WC Engineering, Mechanical
SC Engineering
GA BH0YQ
UT WOS:000397071700031
ER
PT B
AU Mertz, G
Spears, R
Houston, T
AF Mertz, Greg
Spears, Robert
Houston, Thomas
BE Paolacci, F
Furuya, O
TI THE EFFECTS OF DISCRETIZATION ERRORS ON THE HIGH FREQUENCY CONTENT OF
IN-STRUCTURE RESPONSE SPECTRA
SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE, 2016,
VOL 8
LA English
DT Proceedings Paper
CT ASME Pressure Vessels and Piping Conference
CY JUL 17-21, 2016
CL Vancouver, CANADA
SP ASME, Pressure Vessels & Pip Div
AB The next generation ground motion prediction equations predict significant high frequency seismic input for rock sites in the Central Eastern United States (CEUS). This high frequency motion is transmitted to basemat supported components and may be transmitted to components supported on elevated slabs. The existing ASCE 4 analysis requirements were initially developed based on seismic motions having lower frequencies, typical of ground motions in the Western United States (WUS). The adequacy of the existing ASCE 4 analysis requirements are examined using high frequency CEUS spectral shapes and the potential error inherent in using the existing approach to computing in structure response spectra is quantified. Modifications to reduce potential error in the existing ASCE 4 criteria are proposed.
In structure response spectra are typically generated for a subsystem given the time history response of a building region. The building time history response is based on analyses that use either modal time history superposition, direct integration or complex frequency response analysis of the building and supporting soil. Input to the building analyses consist of either real or synthetic discretized ground motion records. The discretized ground motion records are often based on recorded ground motion seeds and are often limited to a 0.005 second time step. Thus the time step of the seed record often limits the frequency content of the problem.
Both the building analyses and in structure response spectra subsystem analysis may interpolate the discretized ground motion records to obtain stable results. This interpolation generates errors that are propagated through the analyses used to calculate in structure response spectra. These errors may result in extraneous high frequency content in the in structure response spectra. Errors are quantified by comparison of time history parameters, Fourier components and in structure response spectra.
C1 [Mertz, Greg; Houston, Thomas] Costantino & Associates, Los Alamos, NM 87544 USA.
[Spears, Robert] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Mertz, G (reprint author), Costantino & Associates, Los Alamos, NM 87544 USA.
EM gemertz@cjcassoc.com; Robert.Spears@inl.gov; tomwhouston@cjcassoc.com
NR 5
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5046-6
PY 2017
AR UNSP V008T08A045
PG 10
WC Engineering, Civil; Engineering, Mechanical
SC Engineering
GA BH0YR
UT WOS:000397071800045
ER
PT J
AU Wojcik, R
Webb, IK
Deng, LL
Garimella, SVB
Prost, SA
Ibrahim, YM
Baker, ES
Smith, RD
AF Wojcik, Roza
Webb, Ian K.
Deng, Liulin
Garimella, Sandilya V. B.
Prost, Spencer A.
Ibrahim, Yehia M.
Baker, Erin S.
Smith, Richard D.
TI Lipid and Glycolipid Isomer Analyses Using Ultra-High Resolution Ion
Mobility Spectrometry Separations
SO INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
LA English
DT Article
DE lipids; glycolipids; isomers; ion mobility spectrometry
ID PERFORMANCE LIQUID-CHROMATOGRAPHY; FLIGHT MASS-SPECTROMETRY; PATH-LENGTH
STRUCTURES; SHOTGUN LIPIDOMICS; FUNNEL TRAP; STRUCTURAL ELUCIDATION;
METABOLIC PATHWAYS; TRAVELING-WAVES; MANIPULATIONS; GANGLIOSIDES
AB Understanding the biological roles and mechanisms of lipids and glycolipids is challenging due to the vast number of possible isomers that may exist. Mass spectrometry (MS) measurements are currently the dominant approach for studying and providing detailed information on lipid and glycolipid presence and changes. However, difficulties in distinguishing the many structural isomers, due to the distinct lipid acyl chain positions, double bond locations or specific glycan types, inhibit the delineation and assignment of their biological roles. Here we utilized ultra-high resolution ion mobility spectrometry (IMS) separations by applying traveling waves in a serpentine multi-pass Structures for Lossless Ion Manipulations (SLIM) platform to enhance the separation of selected lipid and glycolipid isomers. The multi-pass arrangement allowed the investigation of paths ranging from similar to 16 m (one pass) to similar to 60 m (four passes) for the distinction of lipids and glycolipids with extremely small structural differences. These ultra-high resolution SLIM IMS-MS analyses provide a foundation for exploring and better understanding isomer-specific biological activities and disease processes.
C1 [Wojcik, Roza; Webb, Ian K.; Deng, Liulin; Garimella, Sandilya V. B.; Ibrahim, Yehia M.; Baker, Erin S.; Smith, Richard D.] Pacific Northwest Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
[Prost, Spencer A.] Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
RP Baker, ES; Smith, RD (reprint author), Pacific Northwest Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
EM roza.wojcik@pnnl.gov; ian.webb@pnnl.gov; liulin.deng@pnnl.gov;
sandilya.garimella@pnnl.gov; spencer.prost@pnnl.gov;
yehia.ibrahim@pnnl.gov; erin.baker@pnnl.gov; rds@pnnl.gov
OI Garimella, Sandilya Venkata Bhaskara/0000-0001-6649-9842
FU National Institute of Environmental Health Sciences of the NIH [R01
ES022190]; National Institute of General Medical Sciences [P41
GM103493]; Laboratory Directed Research and Development Program at
Pacific Northwest National Laboratory; Microbes in Transition (MinT)
Initiative at Pacific Northwest National Laboratory; U.S. Department of
Energy Office of Biological and Environmental Research Genome Sciences
Program; National Institute of Allergy and Infectious Diseases
[U19AI106772]; DOE [DE-AC05-76RL0 1830]
FX Portions of this research were supported by grants from the National
Institute of Environmental Health Sciences of the NIH (R01 ES022190),
National Institute of General Medical Sciences (P41 GM103493), and the
Laboratory Directed Research and Development Program and Microbes in
Transition (MinT) Initiative at Pacific Northwest National Laboratory.
This research utilized capabilities developed by the Pan-omics program
(funded by the U.S. Department of Energy Office of Biological and
Environmental Research Genome Sciences Program) and by the National
Institute of Allergy and Infectious Diseases under grant U19AI106772.
This work was performed in the William R. Wiley Environmental Molecular
Sciences Laboratory (EMSL), a Department of Energy (DOE) national
scientific user facility at the Pacific Northwest National Laboratory
(PNNL). PNNL is operated by Battelle for the DOE under contract
DE-AC05-76RL0 1830.
NR 64
TC 0
Z9 0
U1 1
U2 1
PU MDPI AG
PI BASEL
PA ST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLAND
SN 1422-0067
J9 INT J MOL SCI
JI Int. J. Mol. Sci.
PD JAN
PY 2017
VL 18
IS 1
AR 183
DI 10.3390/ijms18010183
PG 12
WC Biochemistry & Molecular Biology; Chemistry, Multidisciplinary
SC Biochemistry & Molecular Biology; Chemistry
GA EJ2HL
UT WOS:000393030600180
ER
PT J
AU Anderson-Cook, CM
Cao, YT
Lu, L
AF Anderson-Cook, Christine M.
Cao, Yongtao
Lu, Lu
TI Quality quandaries: Understanding aspects influencing different types of
multiple response optimization
SO QUALITY ENGINEERING
LA English
DT Article
ID PARETO FRONTS; INDICATOR; DESIGN
AB KEY POINTSOptimizing with several responses can benefit from an objective approach of eliminating non-contenders, understanding trade-offs between competing responses, and then identifying a final choice that matches optimization priorities. To offer insights that can help guide thoughtful decisions, we explore and summarize different patterns of solution sets and their trade-offs for different types of optimization with responses that are to be maximized and/or to achieve a target.
C1 [Anderson-Cook, Christine M.] Los Alamos Natl Lab, Stat Sci Grp, POB 1663,MS F660, Los Alamos, NM 87545 USA.
[Cao, Yongtao] Indiana Univ Penn, Indiana, PA USA.
[Lu, Lu] Univ S Florida, Tampa, FL USA.
RP Anderson-Cook, CM (reprint author), Los Alamos Natl Lab, Stat Sci Grp, POB 1663,MS F660, Los Alamos, NM 87545 USA.
EM candcook@lanl.gov
NR 11
TC 0
Z9 0
U1 0
U2 0
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0898-2112
EI 1532-4222
J9 QUAL ENG
JI Qual. Eng.
PY 2017
VL 29
IS 2
BP 329
EP 341
DI 10.1080/08982112.2016.1226339
PG 13
WC Engineering, Industrial; Statistics & Probability
SC Engineering; Mathematics
GA EM6FI
UT WOS:000395407800014
ER
PT J
AU Jacquelin, M
Lin, L
Yang, C
AF Jacquelin, Mathias
Lin, Lin
Yang, Chao
TI PSelInv- A Distributed Memory Parallel Algorithm for Selected Inversion:
The Symmetric Case
SO ACM TRANSACTIONS ON MATHEMATICAL SOFTWARE
LA English
DT Article
DE Selected inversion; sparse direct method; distributed memory parallel;
algorithm; high-performance computation; electronic structure theory
ID ELECTRONIC-STRUCTURE CALCULATIONS; DENSITY-FUNCTIONAL THEORY;
FERMI-DIRAC FUNCTION; SPARSE-MATRIX; FIND ALGORITHM; LINEAR-SYSTEMS;
FACTORIZATION; ENTRIES; APPROXIMATION; SIMULATION
AB We describe an efficient parallel implementation of the selected inversion algorithm for distributed memory computer systems, which we call PSelInv. The PSelInv method computes selected elements of a general sparse matrix Athat can be decomposed as A= LU, where L is lower triangular and U is upper triangular. The implementation described in this article focuses on the case of sparse symmetric matrices. It contains an interface that is compatible with the distributed memory parallel sparse direct factorization SuperLU_ DIST. However, the underlying data structure and design of PSelInv allows it to be easily combined with other factorization routines, such as PARDISO. We discuss general parallelization strategies such as data and task distribution schemes. In particular, we describe how to exploit the concurrency exposed by the elimination tree associated with the LU factorization of A. We demonstrate the efficiency and accuracy of PSelInv by presenting several numerical experiments. In particular, we show that PSelInv can run efficiently on more than 4,000 cores for a modestly sized matrix. We also demonstrate how PSelInv can be used to accelerate large-scale electronic structure calculations.
C1 [Jacquelin, Mathias; Lin, Lin; Yang, Chao] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
[Lin, Lin] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA.
RP Jacquelin, M (reprint author), Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
EM mjacquelin@lbl.gov; linlin@math.berkeley.edu; cyang@lbl.gov
FU Laboratory Directed Research and Development Program of Lawrence
Berkeley National Laboratory under U.S. Department of Energy
[DE-AC02-05CH11231]; National Science Foundation [1450372]; Scientific
Discovery through Advanced Computing (SciDAC) program - U.S. Department
of Energy, Office of Science, Advanced Scientific Computing Research and
Basic Energy Sciences; Center for Applied Mathematics for Energy
Research Applications (CAMERA); Basic Energy Sciences (BES); Advanced
Scientific Computing Research (ASRC) at the U.S Department of Energy
FX This work was partially supported by the Laboratory Directed Research
and Development Program of Lawrence Berkeley National Laboratory under
U.S. Department of Energy contract DE-AC02-05CH11231, the National
Science Foundation under Grant No. 1450372 (L.L. and C.Y.), the
Scientific Discovery through Advanced Computing (SciDAC) program funded
by the U.S. Department of Energy, Office of Science, Advanced Scientific
Computing Research and Basic Energy Sciences (M.J., L. L., and C. Y.),
and the Center for Applied Mathematics for Energy Research Applications
(CAMERA), which is a partnership between Basic Energy Sciences (BES) and
Advanced Scientific Computing Research (ASRC) at the U.S Department of
Energy. The authors thank the National Energy Research Scientific
Computing (NERSC) center for making computational resources available to
them.
NR 45
TC 0
Z9 0
U1 0
U2 0
PU ASSOC COMPUTING MACHINERY
PI NEW YORK
PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA
SN 0098-3500
EI 1557-7295
J9 ACM T MATH SOFTWARE
JI ACM Trans. Math. Softw.
PD JAN
PY 2017
VL 43
IS 3
AR 21
DI 10.1145/2786977
PG 28
WC Computer Science, Software Engineering; Mathematics, Applied
SC Computer Science; Mathematics
GA EM7SH
UT WOS:000395512100004
ER
PT J
AU Fioretti, AN
Stokes, A
Young, MR
Gorman, B
Toberer, ES
Tamboli, AC
Zakutayev, A
AF Fioretti, Angela N.
Stokes, Adam
Young, Matthew R.
Gorman, Brian
Toberer, Eric S.
Tamboli, Adele C.
Zakutayev, Andriy
TI Effects of Hydrogen on Acceptor Activation in Ternary Nitride
Semiconductors
SO ADVANCED ELECTRONIC MATERIALS
LA English
DT Article
DE annealing; hydrogen; nitride; photovoltaics; semiconductor
ID ELECTRON-BEAM IRRADIATION; LIGHT-EMITTING-DIODES; P-TYPE GAN; ENERGY;
COMPENSATION; TRANSPORT; INSIGHTS; ZNSNN2; FILMS
C1 [Fioretti, Angela N.; Stokes, Adam; Young, Matthew R.; Toberer, Eric S.; Tamboli, Adele C.; Zakutayev, Andriy] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Fioretti, Angela N.; Stokes, Adam; Gorman, Brian; Toberer, Eric S.; Tamboli, Adele C.] Colorado Sch Mines, Golden, CO 80401 USA.
RP Fioretti, AN; Zakutayev, A (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.; Fioretti, AN (reprint author), Colorado Sch Mines, Golden, CO 80401 USA.
EM afiorett@mines.edu; andriy.zakutayev@nrel.gov
OI Fioretti, Angela/0000-0002-3271-9023
FU National Renewable Energy Laboratory (NREL); U.S. Department of Energy,
Office of Energy Efficiency and Renewable Energy, SunShot program
[DE-AC36-08GO28308]
FX This work was supported by the U.S. Department of Energy, Office of
Energy Efficiency and Renewable Energy, SunShot program, under Contract
No. DE-AC36-08GO28308 with the National Renewable Energy Laboratory
(NREL). The authors are grateful to Dean Armstrong at NREL for the
schematic defect diagram in Figure 3, to Bobby To at NREL for the SEM
images, and to Dr. Stephan Lany at NREL for many helpful discussions.
NR 27
TC 1
Z9 1
U1 4
U2 4
PU WILEY
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 2199-160X
J9 ADV ELECTRON MATER
JI Adv. Electron. Mater.
PY 2017
VL 3
IS 3
AR 1600544
DI 10.1002/aelm.201600544
PG 5
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Physics, Applied
SC Science & Technology - Other Topics; Materials Science; Physics
GA EM9NK
UT WOS:000395638200020
ER
PT J
AU Goetz, KP
Tsutsumi, J
Pookpanratana, S
Chen, JH
Corbin, NS
Behera, RK
Coropceanu, V
Richter, CA
Hacker, CA
Hasegawa, T
Jurchescu, OD
AF Goetz, Katelyn P.
Tsutsumi, Jun'ya
Pookpanratana, Sujitra
Chen, Jihua
Corbin, Nathan S.
Behera, Rakesh K.
Coropceanu, Veaceslav
Richter, Curt A.
Hacker, Christina A.
Hasegawa, Tatsuo
Jurchescu, Oana D.
TI Reply to Comment on Polymorphism in the 1:1 Charge-Transfer Complex
DBTTF-TCNQ and Its Effects on Optical and Electronic Properties
SO ADVANCED ELECTRONIC MATERIALS
LA English
DT Editorial Material
DE charge-transfer complexes; organic semiconductors; polymorphism; single
crystals
ID RAMAN-SPECTRA; SALTS; DIBENZOTETRATHIAFULVALENE;
TETRACYANOQUINODIMETHANE
C1 [Goetz, Katelyn P.; Jurchescu, Oana D.] Wake Forest Univ, Dept Phys, Winston Salem, NC 27109 USA.
[Tsutsumi, Jun'ya; Hasegawa, Tatsuo] Natl Inst Adv Ind Sci & Technol, Flexible Elect Res Ctr, Tsukuba, Ibaraki 3058562, Japan.
[Pookpanratana, Sujitra; Richter, Curt A.; Hacker, Christina A.] NIST, Div Engn Phys, Gaithersburg, MD 20899 USA.
[Chen, Jihua] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Corbin, Nathan S.; Behera, Rakesh K.; Coropceanu, Veaceslav] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA.
[Corbin, Nathan S.; Behera, Rakesh K.; Coropceanu, Veaceslav] Georgia Inst Technol, Ctr Organ Photon & Elect, Atlanta, GA 30332 USA.
[Hasegawa, Tatsuo] Univ Tokyo, Dept Appl Phys, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1138656, Japan.
RP Jurchescu, OD (reprint author), Wake Forest Univ, Dept Phys, Winston Salem, NC 27109 USA.
EM jurchescu@wfu.edu
NR 14
TC 0
Z9 0
U1 1
U2 1
PU WILEY
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 2199-160X
J9 ADV ELECTRON MATER
JI Adv. Electron. Mater.
PY 2017
VL 3
IS 3
AR UNSP 1600521
DI 10.1002/aelm.201600521
PG 3
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Physics, Applied
SC Science & Technology - Other Topics; Materials Science; Physics
GA EM9NK
UT WOS:000395638200015
ER
PT J
AU Wang, YF
AF Wang, Yifeng
TI Journal summary from Editor in Chief
SO AIMS ENVIRONMENTAL SCIENCE
LA English
DT Editorial Material
C1 [Wang, Yifeng] Sandia Natl Labs, Dept Nucl Waste Disposal Res & Anal, POB 5800, Albuquerque, NM 87185 USA.
RP Wang, YF (reprint author), Sandia Natl Labs, Dept Nucl Waste Disposal Res & Anal, POB 5800, Albuquerque, NM 87185 USA.
EM ywang@sandia.gov
NR 0
TC 0
Z9 0
U1 0
U2 0
PU AMER INST MATHEMATICAL SCIENCES-AIMS
PI SPRINGFIELD
PA PO BOX 2604, SPRINGFIELD, MO 65801-2604 USA
SN 2372-0344
EI 2372-0352
J9 AIMS ENVIRON SCI
JI AIMS Environ. Sci.
PY 2017
VL 4
IS 2
BP 287
EP 288
PG 2
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA EP3BF
UT WOS:000397256800007
ER
PT J
AU Anderson-Cook, CM
Hamada, MS
Moore, LM
Wendelberger, JR
AF Anderson-Cook, Christine M.
Hamada, Michael S.
Moore, Leslie M.
Wendelberger, Joanne R.
TI Statistical Mentoring at Early Training and Career Stages
SO AMERICAN STATISTICIAN
LA English
DT Article
DE Applications; Applied research; Career; Interpersonal skills;
Networking; Presenting;Publishing; Science; Service; Technical skills
AB At Los Alamos National Laboratory (LANL), statistical scientists develop solutions for a variety of national security challenges through scientific excellence, typically as members of interdisciplinary teams. At LANL, mentoring is actively encouraged and practiced to develop statistical skills and positive career-building behaviors. Mentoring activities targeted at different career phases fromstudent to junior staff are an important catalyst for both short and long termcareer development. This article discussesmentoring strategies for undergraduate and graduate students through internships as well as for postdoctoral research associates and junior staff. Topics addressed include project selection, progress, and outcome; intellectual and social activities that complement the student internship experience; key skills/knowledge not typically obtained in academic training; and the impact of such internships on students' careers. Experiences and strategies from a number of successful mentorships are presented. Feedback from former mentees obtained via a questionnaire is incorporated. These responses address some of the benefits the respondents received from mentoring, helpful contributions and advice from their mentors, key skills learned, and how mentoring impacted their later careers.
C1 [Anderson-Cook, Christine M.; Hamada, Michael S.; Moore, Leslie M.; Wendelberger, Joanne R.] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA.
RP Anderson-Cook, CM (reprint author), Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA.
EM candcook@lanl.gov
NR 11
TC 0
Z9 0
U1 0
U2 0
PU AMER STATISTICAL ASSOC
PI ALEXANDRIA
PA 732 N WASHINGTON ST, ALEXANDRIA, VA 22314-1943 USA
SN 0003-1305
EI 1537-2731
J9 AM STAT
JI Am. Stat.
PY 2017
VL 71
IS 1
BP 6
EP 14
DI 10.1080/00031305.2016.1200491
PG 9
WC Statistics & Probability
SC Mathematics
GA EP2PR
UT WOS:000397226100003
ER
PT J
AU Nayyeri, H
Hemmati, S
Mobasher, B
Ferguson, HC
Cooray, A
Barro, G
Faber, SM
Dickinson, M
Koekemoer, AM
Peth, M
Salvato, M
Ashby, MLN
Darvish, B
Donley, J
Durbin, M
Finkelstein, S
Fontana, A
Grogin, NA
Gruetzbauch, R
Huang, K
Khostovan, AA
Kocevski, D
Kodra, D
Lee, B
Newman, J
Pacifici, C
Pforr, J
Stefanon, M
Wiklind, T
Willner, SP
Wuyts, S
Castellano, M
Conselice, C
Dolch, T
Dunlop, JS
Galametz, A
Hathi, NP
Lucas, RA
Yan, H
AF Nayyeri, H.
Hemmati, S.
Mobasher, B.
Ferguson, H. C.
Cooray, A.
Barro, G.
Faber, S. M.
Dickinson, M.
Koekemoer, A. M.
Peth, M.
Salvato, M.
Ashby, M. L. N.
Darvish, B.
Donley, J.
Durbin, M.
Finkelstein, S.
Fontana, A.
Grogin, N. A.
Gruetzbauch, R.
Huang, K.
Khostovan, A. A.
Kocevski, D.
Kodra, D.
Lee, B.
Newman, J.
Pacifici, C.
Pforr, J.
Stefanon, M.
Wiklind, T.
Willner, S. P.
Wuyts, S.
Castellano, M.
Conselice, C.
Dolch, T.
Dunlop, J. S.
Galametz, A.
Hathi, N. P.
Lucas, R. A.
Yan, H.
TI CANDELS MULTI-WAVELENGTH CATALOGS: SOURCE IDENTIFICATION AND PHOTOMETRY
IN THE CANDELS COSMOS SURVEY FIELD
SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES
LA English
DT Article
DE catalogs; galaxies: high-redshift; galaxies: photometry; methods: data
analysis; techniques: image processing
ID ACTIVE GALACTIC NUCLEI; SIMILAR-TO 2; LYMAN-BREAK GALAXIES;
HIGH-REDSHIFT GALAXIES; STAR-FORMING GALAXIES; ULTRA-DEEP-FIELD;
ULTRAVIOLET LUMINOSITY DENSITY; SPECTRAL ENERGY-DISTRIBUTIONS;
EXTRAGALACTIC LEGACY SURVEY; SPITZER-SPACE-TELESCOPE
AB We present a multi-wavelength photometric catalog in the COSMOS field as part of the observations by the Cosmic Assembly Near-infrared Deep Extragalactic Legacy Survey. The catalog is based on Hubble Space Telescope Wide Field Camera 3 (HST/WFC3) and Advanced Camera for Surveys observations of the COSMOS field (centered at R. A.: 10(h)00(m)28(s), Decl.: + 02 degrees 12'21 ''). The final catalog has 38671 sources with photometric data in 42 bands from UV to the infrared (similar to 0.3-8 mu m). This includes broadband photometry from HST, CFHT, Subaru, the Visible and Infrared Survey Telescope for Astronomy, and Spitzer Space Telescope in the visible, near-infrared, and infrared bands along with intermediate-and narrowband photometry from Subaru and medium-band data from Mayall NEWFIRM. Source detection was conducted in the WFC3 F160W band (at 1.6 mu m) and photometry is generated using the Template FITting algorithm. We further present a catalog of the physical properties of sources as identified in the HST F160W band and measured from the multi-band photometry by fitting the observed spectral energy distributions of sources against templates.
C1 [Nayyeri, H.; Cooray, A.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA.
[Nayyeri, H.; Hemmati, S.; Mobasher, B.; Darvish, B.; Khostovan, A. A.] Univ Calif Riverside, Dept Phys & Astron, Riverside, CA 92521 USA.
[Hemmati, S.] CALTECH, Infrared Proc & Anal Ctr, MS 100-22, Pasadena, CA 91125 USA.
[Ferguson, H. C.; Koekemoer, A. M.; Lucas, R. A.] Space Telescope Sci Inst, 3700 San Martin Dr, Baltimore, MD 21218 USA.
[Barro, G.; Faber, S. M.] Univ Calif Santa Cruz, UCO Lick Observ, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA.
[Barro, G.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA.
[Dickinson, M.] Natl Optic Astron Observ, Tucson, AZ 85719 USA.
[Peth, M.] Johns Hopkins Univ, Dept Phys & Astron, 366 Bloomberg Ctr, Baltimore, MD 21218 USA.
[Salvato, M.; Galametz, A.] Max Planck Inst Extraterr Phys, Giessenbachstrasse 1, D-85748 Munich, Germany.
[Ashby, M. L. N.; Willner, S. P.] Harvard Smithsonian Ctr Astrophys, 60 Garden St, Cambridge, MA 02138 USA.
[Darvish, B.] CALTECH, Cahill Ctr Astrophys, 1216 E Calif Blvd, Pasadena, CA 91125 USA.
[Donley, J.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA.
[Finkelstein, S.] Univ Texas Austin, Dept Astron, Austin, TX 78712 USA.
[Fontana, A.; Castellano, M.] INAF Osservat Astron Roma, Via Frascati 33, I-00040 Monte Porzio Catone, Italy.
[Gruetzbauch, R.] Obser Astron Lisboa, Ctr Astron & Astrophys, PL-1349018 Lisbon, Portugal.
[Huang, K.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA.
[Kocevski, D.] Colby Coll, 4000 Mayflower Hill, Waterville, ME 04901 USA.
[Kodra, D.; Newman, J.] Univ Pittsburgh, Dept Phys & Astron & PITT PACC, Pittsburgh, PA 15260 USA.
[Lee, B.] Univ Massachusetts, Dept Astron, 710 N Plesant St, Amherst, MA 01003 USA.
[Pacifici, C.] Goddard Space Flight Ctr, Code 665, Greenbelt, MD USA.
[Pforr, J.; Hathi, N. P.] Aix Marseille Univ, CNRS LAM, UMR 7326, F-13388 Marseille, France.
[Pforr, J.] ESA ESTEC SCI S, Keplerlaan 1, NL-2201 AZ Noordwijk, Netherlands.
[Stefanon, M.] Huygens Lab Niels Bohrweg 2, NL-2333 CA Leiden, Netherlands.
[Wiklind, T.] Cathol Univ Amer, Dept Phys, Washington, DC 20064 USA.
[Wuyts, S.] Univ Bath, Dept Phys, Claverton Down, Bath BA1 1RL, Avon, England.
[Conselice, C.] Univ Nottingham, Sch Phys & Astron, Nottingham, England.
[Dolch, T.] Hillsdale Coll, Dept Phys, 33 E Coll St, Hillsdale, MI 49242 USA.
[Dunlop, J. S.] Univ Edinburgh, Inst Astron, Royal Observ, Edinburgh EH9 3HJ, Midlothian, Scotland.
[Yan, H.] Univ Missouri, Dept Phys & Astron, Columbia, MO 65211 USA.
OI Hathi, Nimish/0000-0001-6145-5090; Ferguson, Henry/0000-0001-7113-2738;
Koekemoer, Anton/0000-0002-6610-2048
FU NASA [NAS5-26555, NNX16AF39G]; NSF [AST-1313319]; ESO programme
[179.A-2005]
FX We wish to thank the anonymous referee for carefully reading the
original manuscript and providing very useful suggestions. We also thank
S. Fleming for his help with the MAST archive. This work is based on
observations taken by the CANDELS Multi-Cycle Treasury Program with the
NASA/ESA HST, which is operated by the Association of Universities for
Research in Astronomy, Inc., under NASA contract NAS5-26555. This work
is based in part on observations made with the Spitzer Space Telescope,
which is operated by the Jet Propulsion Laboratory, California Institute
of Technology under a contract with NASA. Financial support for this
work was provided by NSF through AST-1313319 for H.N. and A.C. H.N.
further acknowledges support from NASA (grant No. NNX16AF39G). This work
is based in part on data products from observations made with ESO
Telescopes at the La Silla Paranal Observatories under ESO programme ID
179.A-2005 and on data products produced by TER-APIX and the Cambridge
Astronomy survey Unit on behalf of the UltraVISTA consortium. This study
was based in part on observations obtained with MegaPrime/MegaCam, a
joint project of CFHT and CEA/DAPNIA, at the Canada-France-Hawaii
Telescope (CFHT), which is operated by the National Research Council
(NRC) of Canada, the Institut National des Science de l'Univers of the
Centre National de la Recherche Scienti que (CNRS) of France, and the
University of Hawaii. This work is based in part on data products
produced at TERAPIX and the Canadian Astronomy Data Centre as part of
the Canada-France-Hawaii Telescope Legacy Survey, a collaborative
project of NRC and CNRS.
NR 174
TC 1
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U1 1
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0067-0049
EI 1538-4365
J9 ASTROPHYS J SUPPL S
JI Astrophys. J. Suppl. Ser.
PD JAN
PY 2017
VL 228
IS 1
AR 7
DI 10.3847/1538-4365/228/1/7
PG 25
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA EP3VQ
UT WOS:000397310200002
ER
PT B
AU Murray, H
Richardson, TT
Polard, P
Noirot, P
Noirot-Gros, MF
AF Murray, Heath
Richardson, Tomas T.
Polard, Patrice
Noirot, Philippe
Noirot-Gros, Marie-Francoise
BE Graumann, PL
TI Replication of the Bacillus subtilis Chromosome
SO BACILLUS: CELLULAR AND MOLECULAR BIOLOGY, THIRD EDITION
LA English
DT Article; Book Chapter
ID DNA-POLYMERASE-III; TEMPERATURE-SENSITIVE MUTANTS; HELICASE-INTERACTION
DOMAIN; ESCHERICHIA-COLI PRIMASE; INITIATION PROTEIN DNAA; GRAM-POSITIVE
BACTERIA; TRANSLESION SYNTHESIS; SLIDING-CLAMP; IN-VIVO; EXONUCLEASE
ACTIVITY
AB Eubacteria have evolved multicomponent protein machines, termed replisomes, which duplicate their chromosomes rapidly and accurately. Extensive studies in the model bacteria Escherichia coli and Bacillus subtilis have revealed that in addition to the core replication machinery, other proteins are necessary to form a functional replication fork. Specific subsets of proteins mediate (a) assembly of the replisome at the chromosomal origin of replication [initiation]; (b) progression of the replication forks along the chromosome [elongation] and their maintenance by providing solutions for replication restart, which are adapted to overcome possible 'roadblocks' encountered on the DNA template; and (c) physiological arrest of replication when chromosome duplication is completed [termination]. This review summarizes recent knowledge about chromosomal replication in Bacillus subtilis and related Gram-positive bacteria. It is focused on the events governing the assembly and fate of the replication fork, describes protein networks connected with the replisome, and emphasizes several novel aspects of DNA replication in this group of bacteria.
C1 [Murray, Heath; Richardson, Tomas T.] Newcastle Univ, Inst Cell & Mol Biosci, Ctr Bacterial Cell Biol, Newcastle Upon Tyne, Tyne & Wear, England.
[Polard, Patrice] Univ Toulouse, Lab Microbiol & Genet Mol, CNRS, Toulouse, France.
[Noirot, Philippe; Noirot-Gros, Marie-Francoise] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Murray, H (reprint author), Newcastle Univ, Inst Cell & Mol Biosci, Ctr Bacterial Cell Biol, Newcastle Upon Tyne, Tyne & Wear, England.
EM heath.murray@newcastle.ac.uk
NR 252
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U2 0
PU CAISTER ACADEMIC PRESS
PI WYMONDHAM
PA 32 HEWITTS LANE, WYMONDHAM NR 18 0JA, ENGLAND
BN 978-1-910190-57-9
PY 2017
BP 1
EP 33
DI 10.21775/9781910190579-01
D2 10.21775/9781910190579
PG 33
WC Biochemistry & Molecular Biology; Microbiology
SC Biochemistry & Molecular Biology; Microbiology
GA BH0YK
UT WOS:000397062400001
PM 28347379
ER
PT J
AU Singh, VK
Devi, A
Pathania, S
Kumar, V
Tripathi, DK
Sharma, S
Chauhan, DK
Singh, VK
Zorba, V
AF Singh, Vivek Kumar
Devi, Anjana
Pathania, Surbhi
Kumar, Vinay
Tripathi, Durgesh Kumar
Sharma, Shivesh
Chauhan, Devendra Kumar
Singh, Virendra Kumar
Zorba, Vassilia
TI Spectroscopic investigation of wheat grains (Triticum aestivum) infected
by wheat seed gall nematodes (Anguina tritici)
SO BIOCATALYSIS AND AGRICULTURAL BIOTECHNOLOGY
LA English
DT Article
DE Wheat grain; Wheat seed gall nematodes; Minerals; WD-XRF; FTIR; UV-Vis
DF Spectroscopy
ID INDUCED BREAKDOWN SPECTROSCOPY; INFRARED-SPECTROSCOPY;
BIOLOGICAL-CONTROL; ALUMINUM TOXICITY; FLOUR; VARIETIES; SEEDLINGS;
CHROMIUM; PLANTS; ACID
AB The present study was aimed at analyzing uninfected wheat grain (Triticum aestivum) and wheat seed gall nematodes (Anguina titici) by means of wave-dispersive X-ray fluorescence (WD-XRF), Fourier transform infrared (FTIR) spectroscopy and Diffuse reflectance spectroscopy to assess their elemental and molecular compositions. WD-XRF was used to detect and quantify the major and trace elements in the tested samples. The minerals detected and quantified in no-infection, low infection and high infection wheat samples were potassium (K), sulphur (S), phosphorus (P), chlorine (Cl), calcium (Ca), magnesium (Mg), iron (Fe), silicon (Si), and zinc (Zn). Copper (Cu) was only observed in wheat samples showing no-infection and high infection. Chromium (Cr), manganese (Mn), and nickel (Ni) were detected only in wheat samples of low infection and high infection, and it was completely absent in uninfected wheat samples. Sodium (Na) was only detected in low infection samples whereas aluminium (Al) was only found in high infection wheat samples. The concentrations of these elements in different wheat samples varied. FTIR spectroscopy was used to study the molecular compositions of the infected and uninfected wheat grain samples. Diffuse reflectance measurements of uninfected and infected wheat samples were used to identify spectral differences among wheat samples. In the present investigation a detailed comparison of these samples has been presented at the elemental and molecular levels.
C1 [Singh, Vivek Kumar; Devi, Anjana; Pathania, Surbhi; Kumar, Vinay] Shri Mata Vaishno Devi Univ, Dept Phys, Katra 182320, Jammu & Kashmir, India.
[Tripathi, Durgesh Kumar] Banaras Hindu Univ, Ctr Adv Study Bot, Varanasi 221005, Uttar Pradesh, India.
[Tripathi, Durgesh Kumar; Sharma, Shivesh] Motilal Nehru Natl Inst Technol, Ctr Med Diagnost & Res, Allahabad 211004, Uttar Pradesh, India.
[Sharma, Shivesh] Motilal Nehru Natl Inst Technol, Dept Biotechnol, Allahabad 211004, Uttar Pradesh, India.
[Chauhan, Devendra Kumar] Univ Allahabad, Dept Bot, D D Pant Interdisciplinary Res Lab, Allahabad, Uttar Pradesh, India.
[Singh, Virendra Kumar] Banda Univ Agr & Technol, Coll Agr, Banda 210001, UP, India.
[Singh, Vivek Kumar; Zorba, Vassilia] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Singh, VK (reprint author), Shri Mata Vaishno Devi Univ, Dept Phys, Katra 182320, Jammu & Kashmir, India.
EM vivekksingh2005@gmail.com
FU University Grants Commission (UGC), Govt. of India [5-156/2016(IC)]
FX We are thankful to Central Instrumentation Laboratory (CIL) and
Sophisticated Analytical Instrumentation Facility (SAIF), Punjab
University, Chandigarh for providing FTIR and WD-XRF experimental
facilities. Vivek K. Singh is much thankful to University Grants
Commission (UGC), Govt. of India for the award {F.No.5-156/2016(IC)}
"Raman Fellowship for Post Doctoral Research in United States of America
(USA) for the year 2015-16". Vivek K. Singh is also thankful to Shri
Mata Vaishno Devi (SMVD) University, Jammu and Kashmir, India for study
leave for Post Doctoral Research in Lawrence Berkeley National
Laboratory (LBNL), University of California, Berkeley, California, USA
during "Raman Fellowship (2015-16)". Durgesh K Tripathi and Shivesh
Sharma are also thankful to the Director MNNIT, Allahabad for providing
necessary research Facilities.
NR 56
TC 0
Z9 0
U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1878-8181
J9 BIOCATAL AGRIC BIOTE
JI Biocatal. Agric. Biotechnol.
PD JAN
PY 2017
VL 9
BP 58
EP 66
DI 10.1016/j.bcab.2016.11.005
PG 9
WC Biotechnology & Applied Microbiology
SC Biotechnology & Applied Microbiology
GA EO0SK
UT WOS:000396408000008
ER
PT J
AU Huang, S
Zuo, WD
Sohn, MD
AF Huang, Sen
Zuo, Wangda
Sohn, Michael D.
TI Improved cooling tower control of legacy chiller plants by optimizing
the condenser water set point
SO BUILDING AND ENVIRONMENT
LA English
DT Article
DE Model predictive control; Condenser water set point; Optimization
starting point; Optimization frequency; Modelica
ID OPTIMIZATION; SYSTEMS; SEARCH; MODEL
AB Achieving the optimal control of cooling towers is critical to the energy-efficient operation of current or legacy chiller plants. Although many promising control methods have been proposed, limitations in their applications exist for legacy chiller plants. For example, some methods require the change of the plant's overall control structure, which can be difficult to legacy chiller plants; some methods are too complicated and computationally intensive to implement in old building control systems. To address the above issues, we develop an operational support system. This system employs a model predictive control scheme to optimize the condenser water set point and can be applied in chiller plants without changes in the control structure. To further facilitate the implementation, we propose to increase the optimization accuracy by selecting a better starting point. The results from a case study with a real legacy chiller plant in Washington D.C. show that the proposed operational support system can achieve up to around 9.67% annual energy consumption savings for chillers and cooling towers. The results also show the proposed starting point selection method can achieve a better accuracy and a faster computational speed than commonly used methods. In addition, we find that we can select a lower optimization frequency for the studied case since the impact of the optimization frequency on the energy savings is not significant while a lower optimization frequency does reduce the computational demand to a great extent. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Huang, Sen; Zuo, Wangda] Univ Miami, Dept Civil Architectural & Environm Engn, 1251 Mem Dr, Coral Gables, FL 33146 USA.
[Sohn, Michael D.] Lawrence Berkeley Natl Lab, Energy Anal & Environm Impacts Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
RP Zuo, WD (reprint author), Univ Miami, Dept Civil Architectural & Environm Engn, 1251 Mem Dr, Coral Gables, FL 33146 USA.
EM w.zuo@miami.edu
FU U.S.Department of Defense under the ESTCP program
FX This research was supported by the U.S.Department of Defense under the
ESTCP program. The authors thank Marco Bonvini, Michael Wetter, Mary Ann
Piette, Jessica-Granderson, Oren Schetrit, Rong Lily Hu and Guanjing Lin
for the support provided through the research.
NR 32
TC 0
Z9 0
U1 1
U2 1
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0360-1323
EI 1873-684X
J9 BUILD ENVIRON
JI Build. Environ.
PD JAN
PY 2017
VL 111
BP 33
EP 46
DI 10.1016/j.buildenv.2016.10.011
PG 14
WC Construction & Building Technology; Engineering, Environmental;
Engineering, Civil
SC Construction & Building Technology; Engineering
GA EN9BW
UT WOS:000396296700004
ER
PT J
AU Slack, CC
Finbloom, JA
Jeong, K
Bruns, CJ
Wemmer, DE
Pinesab, A
Francis, MB
AF Slack, Clancy C.
Finbloom, Joel A.
Jeong, Keunhong
Bruns, Carson J.
Wemmer, David E.
Pinesab, Alexander
Francis, Matthew B.
TI Rotaxane probes for protease detection by Xe-129 hyperCEST NMR
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID HYPERPOLARIZED XE-129; CONTRAST AGENTS; ENZYME-ACTIVITY; BIOSENSOR;
XENON; NANOPARTICLES; ACTIVATION
AB We report a CB6 rotaxane for the Xe-129 hyperCEST NMR detection of matrix metalloprotease 2(MMP-2) activity. MMP-2 is overexpressed in cancer tissue, and hence is a cancer marker. A peptide containing anMMP-2 recognition sequence was incorporated into the rotaxane, synthesized via CB6-promoted click chemistry. Upon cleavage of the rotaxane by MMP-2, CB6 became accessible for Xe-129@CB6 interactions, leading to protease-responsive hyperCEST activation.
C1 [Slack, Clancy C.; Finbloom, Joel A.; Jeong, Keunhong; Bruns, Carson J.; Wemmer, David E.; Pinesab, Alexander; Francis, Matthew B.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Slack, Clancy C.; Jeong, Keunhong; Pinesab, Alexander; Francis, Matthew B.] Lawrence Berkeley Natl Labs, Div Mat Sci, Berkeley, CA 94720 USA.
[Wemmer, David E.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
RP Francis, MB (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Francis, MB (reprint author), Lawrence Berkeley Natl Labs, Div Mat Sci, Berkeley, CA 94720 USA.
EM mbfrancis@berkeley.edu
OI Slack, Clancy/0000-0001-6663-9112
FU U.S. Department of Energy, Office of Science, Basic Energy Sciences,
Materials Sciences and Engineering Division [DE-AC02-05CH11231]; Hana
Jabsheh Initiative; Department of Defense, Air Force Office of
Scientific Research, National Defense Science and Engineering Graduate
(NDSEG) Fellowship [32 CFR 168a]; Miller Institute for Basic Research at
UC Berkeley; [FA9550-11-C-0028]
FX This work was supported by the U.S. Department of Energy, Office of
Science, Basic Energy Sciences, Materials Sciences and Engineering
Division, under Contract No. DE-AC02-05CH11231. M.B.F. acknowledges the
Hana Jabsheh Initiative for additional support. The authors thank Dr
Christophoros Vassiliou for valuable discussions. J. A. F. was supported
under contract FA9550-11-C-0028 and awarded by the Department of
Defense, Air Force Office of Scientific Research, National Defense
Science and Engineering Graduate (NDSEG) Fellowship, 32 CFR 168a. C. J.
B. was supported by the Miller Institute for Basic Research at UC
Berkeley.
NR 30
TC 1
Z9 1
U1 3
U2 3
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 2017
VL 53
IS 6
BP 1076
EP 1079
DI 10.1039/c6cc09302g
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA EK5PM
UT WOS:000393978300015
PM 28044166
ER
PT J
AU Li, Z
Mercado, CC
Yang, MJ
Palay, E
Zhu, K
AF Li, Zhen
Mercado, Candy C.
Yang, Mengjin
Palay, Ethan
Zhu, Kai
TI Electrochemical impedance analysis of perovskite-electrolyte interfaces
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID MOTT-SCHOTTKY ANALYSIS; SOLAR-CELLS; HALIDE PEROVSKITES; PHOTOVOLTAIC
CELLS; OPTICAL-PROPERTIES; SINGLE-CRYSTALS; SEMICONDUCTOR; DIFFUSION;
LENGTHS; CH3NH3PBI3
AB The flat band potentials and carrier densities of spin coated and sprayed MAPbI(3), FA(0.85)Cs(0.15)PbI(3), and MAPbBr(3) perovskite films were determined using the Mott-Schottky relation. The films developed a space charge layer and exhibited p-type conduction with a carrier concentration of similar to 10(16) cm(-3) for spin coated films. Electrochemical impedance spectra showed typical space charge impedance at frequencies 41 kHz, and an exceptional high capacitance at frequency <1 kHz owing to an ion diffusion component.
C1 [Li, Zhen; Yang, Mengjin; Palay, Ethan; Zhu, Kai] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
[Mercado, Candy C.] Univ Colorado, Renewable & Sustainable Energy Inst, Boulder, CO 80309 USA.
[Mercado, Candy C.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
RP Li, Z (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.; Mercado, CC (reprint author), Univ Colorado, Renewable & Sustainable Energy Inst, Boulder, CO 80309 USA.; Mercado, CC (reprint author), Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
EM zhen.li@nrel.gov; candy.mercado@colorado.edu
FU U.S. Department of Energy [DE-AC36-08-GO28308]; hybrid perovskite solar
cell program of the National Center for Photovoltaics - U.S. Department
of Energy, Office of Energy Efficiency and Renewable Energy, Solar
Energy Technologies Office; Solar Energy Research Institute for India
and the United States (SERIIUS) - U.S. Department of Energy [DE
AC36-08G028308]; Solar Energy Research Institute for India and the
United States (SERIIUS) - Government of India
[IUSSTF/JCERDC-SERIIUS/2012]
FX This work was supported by the U.S. Department of Energy under Contract
No. DE-AC36-08-GO28308. We acknowledge the support by the hybrid
perovskite solar cell program of the National Center for Photovoltaics
funded by the U.S. Department of Energy, Office of Energy Efficiency and
Renewable Energy, Solar Energy Technologies Office. CCM would like to
thank Arthur Nozik for helpful discussion. EP thanks the support from
the Solar Energy Research Institute for India and the United States
(SERIIUS), jointly funded by U.S. Department of Energy subcontract DE
AC36-08G028308 and the Government of India subcontract
IUSSTF/JCERDC-SERIIUS/2012.
NR 43
TC 0
Z9 0
U1 3
U2 3
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 2017
VL 53
IS 16
BP 2467
EP 2470
DI 10.1039/c6cc10315d
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA EN2XF
UT WOS:000395872900013
PM 28180211
ER
PT J
AU Cannatelli, MD
Ragauskas, AJ
AF Cannatelli, Mark D.
Ragauskas, Arthur J.
TI Two Decades of Laccases: Advancing Sustainability in the Chemical
Industry
SO CHEMICAL RECORD
LA English
DT Article
DE Biotechnology; green chemistry; laccases; organic synthesis;
sustainability
ID KAPPA KRAFT PULPS; ONE-POT SYNTHESIS; FUNGUS TRAMETES-VERSICOLOR;
MEDIATOR SYSTEMS; MULTICOPPER OXIDASES; CRYSTAL-STRUCTURE; POLYPHENOL
OXIDASE; GREEN CHEMISTRY; MELANOCARPUS-ALBOMYCES; BENZOFURAN DERIVATIVES
AB Given the current state of environmental affairs and that our future on this planet as we know it is in jeopardy, research and development into greener and more sustainable technologies within the chemical and forest products industries is at its peak. Given the global scale of these industries, the need for environmentally benign practices is propelling new green processes. These challenges are also impacting academic research and our reagents of interest are laccases. These enzymes are employed in a variety of biotechnological applications due to their native function as catalytic oxidants. They are about as green as it gets when it comes to chemical processes, requiring O-2 as their only co-substrate and producing H2O as the sole by-product. The following account will review our twenty year journey on the use of these enzymes within our research group, from their initial use in biobleaching of kraft pulps and for fiber modification within the pulp and paper industry, to their current application as green catalytic oxidants in the field of synthetic organic chemistry.
C1 [Cannatelli, Mark D.; Ragauskas, Arthur J.] Georgia Inst Technol, Sch Chem & Biochem, Renewable Bioprod Inst, Atlanta, GA 30332 USA.
[Cannatelli, Mark D.; Ragauskas, Arthur J.] Oak Ridge Natl Lab, Joint Inst Biol Sci, Biosci Div, Oak Ridge, TN 37831 USA.
[Ragauskas, Arthur J.] Univ Tennessee, Dept Forestry Wildlife & Fisheries, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
RP Ragauskas, AJ (reprint author), Georgia Inst Technol, Sch Chem & Biochem, Renewable Bioprod Inst, Atlanta, GA 30332 USA.; Ragauskas, AJ (reprint author), Oak Ridge Natl Lab, Joint Inst Biol Sci, Biosci Div, Oak Ridge, TN 37831 USA.; Ragauskas, AJ (reprint author), Univ Tennessee, Dept Forestry Wildlife & Fisheries, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
EM aragausk@utk.edu
FU Renewable Bioproducts Institute at Georgia Institute of Technology
FX The authors are thankful for a student fellowship supported by the
Renewable Bioproducts Institute at Georgia Institute of Technology. The
authors would also like to thank Bruno Cannatelli for his assistance in
producing the frontispiece image.
NR 173
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U1 2
U2 2
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1527-8999
EI 1528-0691
J9 CHEM REC
JI Chem. Rec.
PD JAN
PY 2017
VL 17
IS 1
BP 122
EP 140
DI 10.1002/tcr.201600033
PG 19
WC Chemistry, Multidisciplinary
SC Chemistry
GA EO1VI
UT WOS:000396485600007
PM 27492131
ER
PT J
AU Coughlin, JE
Zhugayevych, A
Wang, M
Bazan, GC
Tretiak, S
AF Coughlin, J. E.
Zhugayevych, A.
Wang, M.
Bazan, G. C.
Tretiak, S.
TI Charge delocalization characteristics of regioregular high mobility
polymers
SO CHEMICAL SCIENCE
LA English
DT Article
ID FIELD-EFFECT TRANSISTORS; SEMICRYSTALLINE CONJUGATED POLYMERS;
ELECTRONIC-PROPERTIES; CONFORMATIONAL LOCKS; TRANSPORT; SEMICONDUCTORS;
COPOLYMERS; MOLECULES; EXCITATIONS; DEVICES
AB Controlling the regioregularity among the structural units of narrow bandgap conjugated polymer backbones has led to improvements in optoelectronic properties, for example in the mobilities observed in field effect transistor devices. To investigate how the regioregularity affects quantities relevant to hole transport, regioregular and regiorandom oligomers representative of polymeric structures were studied using density functional theory. Several structural and electronic characteristics of the oligomers were compared, including chain planarity, cation spin density, excess charges on molecular units and internal reorganizational energy. The main difference between the regioregular and regiorandom oligomers is found to be the conjugated backbone planarity, while the reorganizational energies calculated are quite similar across the molecular family. This work constitutes the first step on understanding the complex interplay of atomistic changes and an oligomer backbone structure toward modeling the charge transport properties.
C1 [Coughlin, J. E.; Wang, M.; Bazan, G. C.; Tretiak, S.] Univ Calif Santa Barbara, Dept Chem & Biochem, Ctr Polymers & Organ Solids, Santa Barbara, CA 93106 USA.
[Zhugayevych, A.; Tretiak, S.] Skolkovo Inst Sci & Technol, Moscow 143025, Russia.
[Tretiak, S.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol CINT, Ctr Nonlinear Studies CNLS, Div Theoret, Los Alamos, NM 87545 USA.
RP Tretiak, S (reprint author), Univ Calif Santa Barbara, Dept Chem & Biochem, Ctr Polymers & Organ Solids, Santa Barbara, CA 93106 USA.; Tretiak, S (reprint author), Skolkovo Inst Sci & Technol, Moscow 143025, Russia.; Tretiak, S (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol CINT, Ctr Nonlinear Studies CNLS, Div Theoret, Los Alamos, NM 87545 USA.
EM serg@lanl.gov
FU National Science Foundation [DMR 1411240]; Skoltech startup research
funds; U.S. Department of Energy National Nuclear Security
Administration [DE-AC52-06NA25396]
FX Funding was provided by the National Science Foundation (DMR 1411240).
Tight binding modeling was supported by Skoltech startup research funds
of A. Z. This work was performed in part at the Center for Nonlinear
Studies (CNLS) and the Center for Integrated Nanotechnologies (CINT), a
U.S. Department of Energy, and the Office of Basic Energy Sciences user
facility, at Los Alamos National Laboratory (LANL). We also acknowledge
the LANL Institutional Computing (IC) Program for providing
computational resources. LANL is operated by the U.S. Department of
Energy National Nuclear Security Administration under Contract No.
DE-AC52-06NA25396.
NR 39
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PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2041-6520
EI 2041-6539
J9 CHEM SCI
JI Chem. Sci.
PY 2017
VL 8
IS 2
BP 1146
EP 1151
DI 10.1039/c6sc01599a
PG 6
WC Chemistry, Multidisciplinary
SC Chemistry
GA EM6NC
UT WOS:000395428300035
ER
PT J
AU Luo, K
AF Luo, Kunxin
TI Signaling Cross Talk between TGF-beta/Smad and Other Signaling Pathways
SO COLD SPRING HARBOR PERSPECTIVES IN BIOLOGY
LA English
DT Article
ID GROWTH-FACTOR-BETA; EMBRYONIC STEM-CELLS; NF-KAPPA-B;
EPITHELIAL-MESENCHYMAL TRANSITION; COLLAGEN GENE-EXPRESSION;
TUMOR-SUPPRESSOR SMAD4; HEPATIC STELLATE CELLS; YES-ASSOCIATED PROTEIN;
SELF-RENEWAL; HIPPO PATHWAY
AB Cytokines of the transforming growth factor beta (TGF-beta) family, including TGF-beta, bone morphogenic proteins (BMPs), activins, and Nodal, play crucial roles in embryonic development and adult tissue homeostasis by regulating cell proliferation, survival, and differentiation, as well as stem-cell self-renewal and lineage-specific differentiation. Smad proteins are critical downstream mediators of these signaling activities. In addition to regulating the transcription of direct target genes of TGF-beta, BMP, activin, or Nodal, Smad proteins also participate in extensive cross talk with other signaling pathways, often in a cell-type-or developmental stage-specific manner. These combinatorial signals often produce context-, time-, and location-dependent biological outcomes that are critical for development. This review discusses recent progress in our understanding of the cross talk between Smad proteins and signaling pathways of Wnt, Notch, Hippo, Hedgehog (Hh), mitogen-activated protein (MAP), kinase, phosphoinositide 3-kinase (PI3K)-Akt, nuclear factor kappa B (NF-kappa B), and Janus kinase/signal transducers and activators of transcription (JAK/STAT) pathways.
C1 [Luo, Kunxin] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA.
[Luo, Kunxin] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
RP Luo, K (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA.; Luo, K (reprint author), Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
EM kluo@berkeley.edu
FU National Institutes of Health (NIH) [R21 CA187632]
FX I apologize to the researchers whose work was not included in this
review because of space limitations. K.L. is supported by the National
Institutes of Health (NIH) R21 CA187632.
NR 216
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U1 1
U2 1
PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT
PI COLD SPRING HARBOR
PA 1 BUNGTOWN RD, COLD SPRING HARBOR, NY 11724 USA
SN 1943-0264
J9 CSH PERSPECT BIOL
JI Cold Spring Harbor Perspect. Biol.
PD JAN
PY 2017
VL 9
IS 1
AR a022137
DI 10.1101/cshperspect.a022137
PG 28
WC Cell Biology
SC Cell Biology
GA EO0EQ
UT WOS:000396371500005
ER
PT J
AU Shen, B
Han, YF
Price, L
Lu, HY
Liu, MZ
AF Shen, Bo
Han, Yafeng
Price, Lynn
Lu, Hongyou
Liu, Manzhi
TI Techno-economic evaluation of strategies for addressing energy and
environmental challenges of industrial boilers in China
SO ENERGY
LA English
DT Article
DE Energy efficiency; Fuel switching; Distributed CHP; Industrial
coal-fired boilers; Natural gas; China
ID NATURAL-GAS; BIOMASS; FUEL; POLICY; COAL; BENEFITS; SYSTEMS; SHANXI;
POWER
AB Tackling coal-burning industrial boilers is one of the key solutions to meeting the climate change and solving the environmental problem in China. Assessing the economics of various options to address coalfired boilers is essential to identify cost-effective solutions. This paper discusses our work in conducting a comprehensive techno-economic analysis to evaluate various strategies for improving efficiency and maximize fuel-switching of industrial boilers. The analysis focused on three options: (1) fuel switching to replace coal with alternative fuels' for small size of boilers; (2) retrofitting boilers through a series of efficiency improvement measures; (3) developing community-scale, distributed systems to replace otherwise scattered boilers operated by individual industrial facilities. Key barriers that prevent these solutions from being fully captured are discussed and policy recommendations to tackle these barriers are provided.(C) 2016 Elsevier Ltd. All rights reserved.
C1 [Shen, Bo; Price, Lynn; Lu, Hongyou] Lawrence Berkeley Natl Lab, Energy Technol Area, Energy Anal & Environm Impacts Div, One Cyclotron Rd,MS 90R2002, Berkeley, CA 94720 USA.
[Han, Yafeng] Henan Univ Econ & Law, 1 Jinshui E Rd, Zhengzhou, Henan, Peoples R China.
[Liu, Manzhi] China Univ Min & Technol, Sch Management, Xuzhou 221116, Jiangsu, Peoples R China.
RP Shen, B (reprint author), Lawrence Berkeley Natl Lab, Energy Technol Area, Energy Anal & Environm Impacts Div, One Cyclotron Rd,MS 90R2002, Berkeley, CA 94720 USA.
EM boshen@lbl.gov
FU U.S. Department of State under U.S. Department of Energy
[DE-AC02-05CH11231]; Regents of the University of California
FX The work presented is a result of the research project supported by the
U.S. Department of State under U.S. Department of Energy Contract No.
DE-AC02-05CH11231 with the Regents of the University of California.
Moreover, we wish to thank Sandra Oudkirk, Julie Kim, and David Vance
Wagner of the U.S. State Department and Dr. Jiang Jinghao of China's
National Development and Reform Commission for their insights. The
authors would also like to thank the Chinese expert team members
including Wei Xiangyang, Zhang Yunpeng, Guan Jian, Hou Rui, Zhang
Junfeng, Zhuo Yuqun, and Xia Shumao for providing technical guidance
during this project and Angela Liu and Katherine Tsen for their
assistance in the study. In addition, the authors would like to express
their thanks to special equipment inspection and testing institutes in
Xi'an and Ningbo for providing information on their cities' boiler
operation characteristics.
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PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0360-5442
EI 1873-6785
J9 ENERGY
JI Energy
PD JAN 1
PY 2017
VL 118
BP 526
EP 533
DI 10.1016/j.energy.2016.10.083
PG 8
WC Thermodynamics; Energy & Fuels
SC Thermodynamics; Energy & Fuels
GA EM1AF
UT WOS:000395048900047
ER
PT J
AU Wu, T
Griffin, AM
Gorski, CA
Shelobolina, ES
Xu, H
Kukkadapu, RK
Roden, EE
AF Wu, T.
Griffin, A. M.
Gorski, C. A.
Shelobolina, E. S.
Xu, H.
Kukkadapu, R. K.
Roden, E. E.
TI Interactions Between Fe(III)-oxides and Fe(III)-phyllosilicates During
Microbial Reduction 2: Natural Subsurface Sediments
SO GEOMICROBIOLOGY JOURNAL
LA English
DT Article
DE Iron reduction; subsurface microbiology; sediments; iron oxides;
phyllosilicates
ID FE(II)-FE(III) ELECTRON-TRANSFER; CRYSTALLINE IRON(III) OXIDES;
ILLITE-SMECTITE MINERALS; HYDROUS FERRIC-OXIDE; CLAY-MINERALS;
GEOBACTER-SULFURREDUCENS; DISSIMILATORY REDUCTION;
MOSSBAUER-SPECTROSCOPY; BACTERIAL REDUCTION; QUANTITATIVE ASSAY
AB Dissimilatory microbial reduction of solid-phase Fe(III)-oxides and Fe(III)-bearing phyllosilicates (Fe(III)-phyllosilicates) is an important process in anoxic soils, sediments and subsurface materials. Although various studies have documented the relative extent of microbial reduction of single-phase Fe(III)-oxides and Fe(III)-phyllosilicates, detailed information is not available on interaction between these two processes in situations where both phases are available for microbial reduction. The goal of this research was to use the model dissimilatory iron-reducing bacterium (DIRB) Geobacter sulfurreducens to study Fe(III)-oxide vs. Fe(III)-phyllosilicate reduction in a range of subsurface materials and Fe(III)-oxide stripped versions of the materials. Low-temperature (12K) Mossbauer spectroscopy was used to infer changes in the relative abundances of Fe(III)-oxide, Fe(III)-phyllosilicate, and phyllosilicate-associated Fe(II) (Fe(II) phyllosilicate). A Fe partitioning model was employed to analyze the fate of Fe(II) and assess the potential for abiotic Fe(II)-catalyzed reduction of Fe(III)-phyllosilicates. The results showed that in most cases Fe(III)-oxide utilization dominated (70-100%) bulk Fe(III) reduction activity, and that electron transfer from oxide-derived Fe(II) played only a minor role (ca. 10-20%) in Fe partitioning. In addition, the extent of Fe(III)-oxide reduction was positively correlated to surface area-normalized cation exchange capacity and the Fe(III)-phyllosilicate/total Fe(III) ratio. This finding suggests that the phyllosilicates in the natural sediments promoted Fe(III)-oxide reduction by binding of oxide-derived Fe(II), thereby enhancing Fe(III)-oxide reduction by reducing or delaying the inhibitory effect that Fe(II) accumulation on oxide and DIRB cell surfaces has on Fe(III)-oxide reduction. In general our results suggest that although Fe(III)-oxide reduction is likely to dominate bulk Fe(III) reduction in most subsurface sediments, Fe(II) binding by phyllosilicates is likely to play a key role in controlling the long-term kinetics of Fe(III) oxide reduction
C1 [Wu, T.; Shelobolina, E. S.; Xu, H.; Roden, E. E.] Univ Wisconsin, Dept Geosci, Madison, WI 53706 USA.
[Griffin, A. M.; Gorski, C. A.] Penn State Univ, Dept Civil & Environm Engn, University Pk, PA 16802 USA.
[Kukkadapu, R. K.] Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA USA.
RP Roden, EE (reprint author), Univ Wisconsin, Dept Geosci, Madison, WI 53706 USA.
EM eroden@geology.wisc.edu
FU U.S. DOE, Office of Biological and Environmental Research through
Environmental Remediation Science Program [DE-FG02-06ER64184,
ER64172-1027487-001191]; U.S. DOE, Office of Biological and
Environmental Research through the Subsurface Biogeochemical Research
Program [DE-SC0001180]; SBR Scientific Focus Area at the Pacific
Northwest National Laboratory
FX This research was funded by the U.S. DOE, Office of Biological and
Environmental Research, through grants DE-FG02-06ER64184 and
ER64172-1027487-001191 from the Environmental Remediation Science
Program, grant DE-SC0001180 from the Subsurface Biogeochemical Research
Program, and the SBR Scientific Focus Area at the Pacific Northwest
National Laboratory.
NR 54
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PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0149-0451
EI 1521-0529
J9 GEOMICROBIOL J
JI Geomicrobiol. J.
PY 2017
VL 34
IS 3
BP 231
EP 241
DI 10.1080/01490451.2016.1174758
PG 11
WC Environmental Sciences; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA EN1HU
UT WOS:000395761900004
ER
PT J
AU Rowe, C
Watson-Ormond, R
English, L
Rubesin, H
Marshall, A
Linton, K
Amolegbe, A
Agnew-Brune, C
Eng, E
AF Rowe, Cassandra
Watson-Ormond, Rose
English, Lacey
Rubesin, Hillary
Marshall, Ashley
Linton, Kristin
Amolegbe, Andrew
Agnew-Brune, Christine
Eng, Eugenia
TI Evaluating Art Therapy to Heal the Effects of Trauma Among Refugee
Youth: The Burma Art Therapy Program Evaluation
SO HEALTH PROMOTION PRACTICE
LA English
DT Article
DE child/adolescent health; community intervention; community organization;
mental health; minority health; evaluation methods; outcome evaluation
ID POSTTRAUMATIC GROWTH INVENTORY; CHILDREN; QUESTIONNAIRE; EXPRESSION;
COUNTRIES; DISORDER; STRESS
AB Background. Art therapy uses the creative process to encourage personal growth and alleviate symptoms of mental illness. The Art Therapy Institute provides programs for refugee adolescents from Burma to decrease their trauma-related symptoms. This article describes and discusses the methods and findings from an evaluation of this program. The challenges of assessing art therapy with this population and assessment tool gaps are explored and suggestions for future evaluations discussed. Method. Four validated clinical assessment tools were administered to 30 participants at baseline and follow-up to measure symptoms of anxiety, depression, and behavioral problems. Focus group discussions with clinicians were used to assess the evaluation. Results. Nearly all participants had experienced one or more traumatic events. At baseline, results showed a higher prevalence of depression than national rates among adolescents. Follow-up results showed improvements in anxiety and self-concept. Qualitative findings suggest that specific benefits of art therapy were not adequately captured with the tools used. Discussion. This evaluation showed some effects of art therapy; however, symptom-focused assessment tools are not adequate to capture clients' growth resulting from the traumatic experience and this unique intervention. Future evaluations will benefit by using an art-based assessment and measuring posttraumatic growth.
C1 [Rowe, Cassandra] North Carolina Coalit Domest Violence, Durham, NC 27701 USA.
[Watson-Ormond, Rose] Snow Camp, Siler, NC 2 USA.
[English, Lacey; Agnew-Brune, Christine; Eng, Eugenia] Univ N Carolina, Chapel Hill, NC USA.
[Rubesin, Hillary; Linton, Kristin] Art Therapy Inst, Carrboro, NC USA.
[Marshall, Ashley] Oak Ridge Inst Sci & Educ, Atlanta, GA USA.
[Amolegbe, Andrew] Amer Inst Res, Chapel Hill, NC USA.
RP Rowe, C (reprint author), Palladium Grp, 1701 Englewood Ave, Durham, NC 27705 USA.
EM cassandrajrowe@gmail.com
NR 34
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U1 3
U2 3
PU SAGE PUBLICATIONS INC
PI THOUSAND OAKS
PA 2455 TELLER RD, THOUSAND OAKS, CA 91320 USA
SN 1524-8399
EI 1552-6372
J9 HEALTH PROMOT PRACT
JI Health Promot. Pract.
PD JAN
PY 2017
VL 18
IS 1
BP 26
EP 33
DI 10.1177/1524839915626413
PG 8
WC Public, Environmental & Occupational Health
SC Public, Environmental & Occupational Health
GA EP2MW
UT WOS:000397218400005
ER
PT J
AU Liu, Y
You, ST
Yao, WX
Cui, Y
Wu, L
Zhou, D
Zhao, JC
Liu, HS
Liu, YL
AF Liu, Yong
You, Shutang
Yao, Wenxuan
Cui, Yi
Wu, Ling
Zhou, Dao
Zhao, Jiecheng
Liu, Hesen
Liu, Yilu
TI A Distribution Level Wide Area Monitoring System for the Electric Power
Grid-FNET/GridEye
SO IEEE ACCESS
LA English
DT Article
DE Dynamics; power grids; phasor measurement units; wide area measurements
ID FREQUENCY
AB The wide area monitoring system (WAMS) is considered a pivotal component of future electric power grids. As a pilot WAMS that has been operated for more than a decade, the frequency monitoring network FNET/GridEye makes use of hundreds of global positioning system-synchronized phasor measurement sensors to capture the increasingly complicated grid behaviors across the interconnected power systems. In this paper, the FNET/GridEye system is overviewed and its operation experiences in electric power grid wide area monitoring are presented. Particularly, the implementation of a number of data analytics applications will be discussed in details. FNET/GridEye lays a firm foundation for the later WAMS operation in the electric power industry.
C1 [Liu, Yong; You, Shutang; Yao, Wenxuan; Cui, Yi; Wu, Ling; Zhou, Dao; Zhao, Jiecheng; Liu, Hesen; Liu, Yilu] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA.
[Liu, Yilu] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP You, ST (reprint author), Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA.
EM syou3@vols.utk.edu
FU Engineering Research Center Program of the National Science Foundation;
DOE under NSF [EEC-1041877]; CURENT Industry Partnership Program
FX This work made use of the Engineering Research Center Shared Facilities
supported by the Engineering Research Center Program of the National
Science Foundation and DOE under NSF Award Number EEC-1041877 and the
CURENT Industry Partnership Program.
NR 33
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U2 0
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2169-3536
J9 IEEE ACCESS
JI IEEE Access
PY 2017
VL 5
BP 2329
EP 2338
DI 10.1109/ACCESS.2017.2666541
PG 10
WC Computer Science, Information Systems; Engineering, Electrical &
Electronic; Telecommunications
SC Computer Science; Engineering; Telecommunications
GA EP1HV
UT WOS:000397136900140
ER
PT J
AU Chen, W
Xie, JY
Zu, SH
Gan, SW
Chen, YK
AF Chen, Wei
Xie, Jianyong
Zu, Shaohuan
Gan, Shuwei
Chen, Yangkang
TI Multiple-Reflection Noise Attenuation Using Adaptive Randomized-Order
Empirical Mode Decomposition
SO IEEE GEOSCIENCE AND REMOTE SENSING LETTERS
LA English
DT Article
DE Adaptive algorithm; empirical mode decomposition (EMD); multiple
reflections noise attenuation; randomized-order EMD
ID VELOCITY ANALYSIS; RADON-TRANSFORM; SEISMIC DATA; SHAPING
REGULARIZATION; SEISLET TRANSFORM; DOMAIN; SUBTRACTION; SEMBLANCE;
CONSTRAINT; SERIES
AB We propose a novel approach for removing noise from multiple reflections based on an adaptive randomized-order empirical mode decomposition (EMD) framework. We first flatten the primary reflections in common midpoint gather using the automatically picked normal moveout velocities that correspond to the primary reflections and then randomly permutate all the traces. Next, we remove the spatially distributed random spikes that correspond to the multiple reflections using the EMD-based smoothing approach that is implemented in the f-x domain. The trace randomization approach can make the spatially coherent multiple reflections random along the space direction and can decrease the coherency of near-offset multiple reflections. The EMD-based smoothing method is superior to median filter and prediction error filter in that it can help preserve the flattened signals better, without the need of exact flattening, and can preserve the amplitude variation much better. In addition, EMD is a fully adaptive algorithm and the parameterization for EMD-based smoothing can be very convenient.
C1 [Chen, Wei] Yangtze Univ, Minist Educ, Key Lab Explorat Technol Oil & Gas Resources, Wuhan 430100, Peoples R China.
[Chen, Wei] Hubei Cooperat Innovat Ctr Unconvent Oil & Gas, Wuhan 430100, Peoples R China.
[Xie, Jianyong; Zu, Shaohuan; Gan, Shuwei] China Univ Petr, State Key Lab Petr Resources & Prospecting, Beijing 102200, Peoples R China.
[Xie, Jianyong] Univ Alberta, Dept Phys, Edmonton, AB T6G 2E1, Canada.
[Chen, Yangkang] Univ Texas Austin, Jackson Sch Geosci, Austin, TX 78713 USA.
[Chen, Yangkang] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA.
RP Chen, W (reprint author), Yangtze Univ, Minist Educ, Key Lab Explorat Technol Oil & Gas Resources, Wuhan 430100, Peoples R China.
EM chenwei2014@yangtzeu.edu.cn; xjyshl@sina.com; shaohuanzu@gmail.com;
gsw19900128@126.com; chenyk2016@gmail.com
FU Sinopec Key Laboratory of Geophysics [33550006-15-FW2099-0017]; Texas
Consortium for Computational Seismology
FX This work was supported in part by the Sinopec Key Laboratory of
Geophysics under Grant 33550006-15-FW2099-0017 and in part by Texas
Consortium for Computational Seismology.
NR 38
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U1 2
U2 2
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1545-598X
EI 1558-0571
J9 IEEE GEOSCI REMOTE S
JI IEEE Geosci. Remote Sens. Lett.
PD JAN
PY 2017
VL 14
IS 1
BP 18
EP 22
DI 10.1109/LGRS.2016.2622918
PG 5
WC Geochemistry & Geophysics; Engineering, Electrical & Electronic; Remote
Sensing; Imaging Science & Photographic Technology
SC Geochemistry & Geophysics; Engineering; Remote Sensing; Imaging Science
& Photographic Technology
GA EM6MY
UT WOS:000395427900004
ER
PT J
AU Dall'Anese, E
Mancarella, P
Monti, A
AF Dall'Anese, Emiliano
Mancarella, Pierluigi
Monti, Antonello
TI Unlocking Flexibility
SO IEEE POWER & ENERGY MAGAZINE
LA English
DT Article
C1 [Dall'Anese, Emiliano] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Mancarella, Pierluigi] Univ Melbourne, Melbourne, Vic 3010, Australia.
[Mancarella, Pierluigi] Univ Manchester, Manchester M13 9PL, Lancs, England.
[Monti, Antonello] Rhein Westfal TH Aachen, Aachen, Germany.
RP Dall'Anese, E (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
NR 6
TC 0
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U1 0
U2 0
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1540-7977
EI 1558-4216
J9 IEEE POWER ENERGY M
JI IEEE Power Energy Mag.
PD JAN-FEB
PY 2017
VL 15
IS 1
BP 43
EP 52
DI 10.1109/MPE.2016.2625218
PG 10
WC Engineering, Electrical & Electronic
SC Engineering
GA EM9OA
UT WOS:000395639800005
ER
PT J
AU Berger, A
Blees, T
Breon, FM
Brook, BW
Hansen, P
Grover, RB
Guet, C
Liu, WP
Livet, F
Nifenecker, H
Petit, M
Pierre, G
Prevot, H
Richet, S
Safa, H
Salvatores, M
Schneeberger, M
Zhou, SY
AF Berger, Andre
Blees, Tom
Breon, Francois-Marie
Brook, Barry W.
Hansen, Philippe
Grover, Ravi B.
Guet, Claude
Liu, Weiping
Livet, Frederic
Nifenecker, Herve
Petit, Michel
Pierre, Gerard
Prevot, Henri
Richet, Sebastien
Safa, Henri
Salvatores, Massimo
Schneeberger, Michael
Zhou, Suyan
TI How much can nuclear energy do about global warming?
SO INTERNATIONAL JOURNAL OF GLOBAL ENERGY ISSUES
LA English
DT Article
DE 2100 energy scenarios; carbon dioxide; nuclear power; carbon capture
storage; fast breeder reactors; CANDU reactors; cost; sustainability;
risks; wastes
AB The framework MESSAGE from the IIASA fulfills the IPCC requirement RCP 2.6. To achieve this, it proposes the use of massive deployment of Carbon Dioxide Capture and Storage (CCS), dealing with tens of billion tons of CO2. However, present knowledge of this process rests on a few experiments at the annual million tons level. MESSAGE includes three scenarios: 'Supply' with a high energy consumption; 'Efficiency' which implies the end of nuclear energy and the intermediary 'MIX'. We propose, as a variant of the MESSAGE framework, to initiate a sustained deployment of nuclear production in 2020, reaching a total nuclear power around 20,000 GWe by the year 2100. Our scenarios considerably reduce the interest or necessity for CCS. Renouncing nuclear power requires an energy consumption reduction of more than 40% compared to the 'Supply' scenario, without escaping the need to store more than 15 billion tons of CO2.
C1 [Berger, Andre] Catholic Univ Louvain, Georges Lemaitre Ctr Earth & Climate Res, Earth & Life Inst, Louvain La Neuve, Belgium.
[Blees, Tom] Sci Council Global Initiat, 1701 St Clair Ave E, North Ft Myers, FL 33903 USA.
[Breon, Francois-Marie; Hansen, Philippe; Petit, Michel; Pierre, Gerard; Prevot, Henri; Richet, Sebastien; Schneeberger, Michael] Save Climate Sauvons Le Climat, 15 Passage Ramey, F-75018 Paris, France.
[Brook, Barry W.] Univ Tasmania, Sch Biol Sci, Private Bag 55, Hobart, Tas 7001, Australia.
[Grover, Ravi B.] Homi Bhabha Natl Inst, Mumbai 400094, Maharashtra, India.
[Guet, Claude] Nanyang Technol Univ, Energy Res Inst, Singapore 637141, Singapore.
[Liu, Weiping] China Inst Atom Energy, POB 2751, Beijing 102413, Peoples R China.
[Livet, Frederic] Univ Grenoble Alpes, SIMAP Phelma CNRS, F-3800 Grenoble, France.
[Nifenecker, Herve] 49 Rue Seraphin Guimet, F-38220 Vizille, France.
[Nifenecker, Herve] Univ Interages Dauphine, F-38000 Grenoble, France.
[Pierre, Gerard] Univ Bourgogne, Dijon, France.
[Safa, Henri] Int Inst Nucl Energy, Gif Sur Yvette, France.
[Salvatores, Massimo] Idaho Natl Lab, Idaho Falls, ID 83401 USA.
[Zhou, Suyan] EDF Delegat Generale Chine, 22-30 Ave Wagram, F-75008 Paris, France.
RP Nifenecker, H (reprint author), 49 Rue Seraphin Guimet, F-38220 Vizille, France.; Nifenecker, H (reprint author), Univ Interages Dauphine, F-38000 Grenoble, France.
EM andre.berger@uclouvain.be; tomsciencecouncil@gmail.com;
breon@lsce.ipsl.fr; Barry.Brook@utas.edu.au; hansenph@wanadoo.fr;
rbgrover@hbni.ac.in; claude.guet@gmail.com; wpliu@ciae.ac.cn;
frederic.livet@simap.grenoble-inp.fr; herve.nifenecker@free.fr;
michel.petit@m4x.org; gerard.pierre18@wanadoo.fr;
henri.prevot@wanadoo.fr; S.Richet@iaea.org; Henri.safa@cea.fr;
salvatoresmassimo@orange.fr; m.schneeberger@nosuchhost.net;
suyan.zhou@edf.fr
NR 12
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Z9 0
U1 3
U2 3
PU INDERSCIENCE ENTERPRISES LTD
PI GENEVA
PA WORLD TRADE CENTER BLDG, 29 ROUTE DE PRE-BOIS, CASE POSTALE 856, CH-1215
GENEVA, SWITZERLAND
SN 0954-7118
EI 1741-5128
J9 INT J GLOBAL ENERGY
JI Int. J. Glob. Energy Issue
PY 2017
VL 40
IS 1-2
BP 43
EP 78
PG 36
WC Environmental Studies
SC Environmental Sciences & Ecology
GA EO2TP
UT WOS:000396549100003
ER
PT J
AU Harris-Adamson, C
Chen, B
Janowitz, I
Rempel, DM
AF Harris-Adamson, C.
Chen, B.
Janowitz, I.
Rempel, D. M.
TI Ergonomic evaluation of an alternative tool for cake decorating
SO INTERNATIONAL JOURNAL OF INDUSTRIAL ERGONOMICS
LA English
DT Article
DE Cake decor; Tool; Grip force; Hand tool
ID CARPAL-TUNNEL-SYNDROME; WORKERS
AB Aim: Cake decorating involves several hand intensive steps with high grip force during the application of icing. The purpose of this laboratory study was to evaluate forearm muscle activity, discomfort, productivity, and usability of an alternative tool for cake decorating compared to decorating with the traditional piping bag.
Methods: Participants (n = 17) performed 2 h of cake decorating tasks using the two tools. Subjective hand and arm fatigue, usability, upper extremity posture, and muscle activity from three forearm muscles were assessed for each tool. Outcome measures were evaluated using the Wilcoxon Signed Rank test and the paired t -test.
Results: Less fatigue was reported in the dominant hand (p = 0.001), forearm (p = 0.003) and shoulder (p = 0.02) for the alternative tool when compared to the piping bag. Average median (APDF 50%) and peak (APDF 90%) muscle activity was significantly less for the alternative tool across all three forearm muscles. The alternative tool significantly reduced grip force, an important risk factor for distal upper extremity pain and disorders. Participants rated usability of the alternative tool superior for refill and comfort but the traditional method was rated better for accuracy, stability, positioning and control.
Conclusions: The alternative tool was associated with less dominant arm fatigue, muscle activity, and grip force when compared with the piping bag. However, the alternative tool did not receive the best overall usability rating due to problems with accuracy and overflow, especially with smaller decorating tips. Recommendations were made for addressing these problems with the alternative tool. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Harris-Adamson, C.] Univ Calif Berkeley, Sch Publ Hlth, Environm Hlth Sci, Berkeley, CA 94720 USA.
[Harris-Adamson, C.; Rempel, D. M.] Univ Calif San Francisco, Div Occupat & Environm Med, San Francisco, CA 94143 USA.
[Chen, B.; Rempel, D. M.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA.
[Janowitz, I.] Lawrence Berkeley Natl Lab, Environm Hlth & Safety, Berkeley, CA USA.
RP Harris-Adamson, C (reprint author), CPE, 1301 S 46th St,Bldg 163, Richmond, CA 94804 USA.
EM Carisa.harris-adamson@ucsf.edu
FU National Institute for Occupational Safety and Health
FX The study was partially funded by a cooperative grant from theNational
Institute for Occupational Safety and Health.
NR 13
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U1 1
U2 1
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0169-8141
EI 1872-8219
J9 INT J IND ERGONOM
JI Int. J. Ind. Ergon.
PD JAN
PY 2017
VL 57
BP 63
EP 67
DI 10.1016/j.ergon.2016.11.004
PG 5
WC Engineering, Industrial; Ergonomics
SC Engineering
GA EP4TK
UT WOS:000397372600007
ER
PT J
AU Mu, L
Ye, X
AF Mu, Lin
Ye, Xiu
TI A SIMPLE FINITE ELEMENT METHOD FOR NON-DIVERGENCE FORM ELLIPTIC
EQUATIONS
SO INTERNATIONAL JOURNAL OF NUMERICAL ANALYSIS AND MODELING
LA English
DT Article
DE Finite element methods; non-divergence form elliptic equations;
polyhedral meshes
AB We develop a simple finite element method for solving second order elliptic equations in non-divergence form by combining least squares concept with discontinuous approximations. This simple method has a symmetric and positive definite system and can be easily analyzed and implemented. Also general meshes with polytopal element and hanging node can be used in the method. We prove that our finite element solution approaches to the true solution when the mesh size approaches to zero. Numerical examples are tested that demonstrate the robustness and flexibility of the method.
C1 [Mu, Lin] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
[Ye, Xiu] Univ Arkansas, Dept Math, Little Rock, AR 72204 USA.
RP Mu, L (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
EM mul1@ornl.gov; xxye@ualr.edu
FU U.S. Department of Energy, Office of Science, Office of Advanced
Scientific Computing Research; U.S. Department of Energy
[DE-AC05-00OR22725]; National Science Foundation [DMS-1620016]
FX This material is based upon work supported by the U.S. Department of
Energy, Office of Science, Office of Advanced Scientific Computing
Research.This manuscript has been authored by UT-Battelle, LLC under
Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The
United States Government retains and the publisher, by accepting the
article for publication, acknowledges that the United States Government
retains a non-exclusive, paid-up, irrevocable, world-wide license to
publish or reproduce the published form of this manuscript, or allow
others to do so, for United States Government purposes. The Department
of Energy will provide public access to these results of federally
sponsored research in accordance with the DOE Public Access Plan
(http://energy.goy/downloads/doe-public-access-plan). The work of X. Ye
is supported in part by the National Science Foundation under contract
DMS-1620016.
NR 8
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PU ISCI-INST SCIENTIFIC COMPUTING & INFORMATION
PI EDMONTON
PA PO BOX 60632, UNIV ALBERTA POSTAL OUTLET,, EDMONTON, ALBERTA T6G 2G1,
CANADA
SN 1705-5105
J9 INT J NUMER ANAL MOD
JI Int. J. Numer. Anal. Model.
PY 2017
VL 14
IS 2
BP 306
EP 311
PG 6
WC Mathematics, Applied; Mathematics
SC Mathematics
GA EO2BD
UT WOS:000396500700008
ER
PT J
AU Shade, A
AF Shade, Ashley
TI Diversity is the question, not the answer
SO ISME JOURNAL
LA English
DT Article
ID MICROBIAL DIVERSITY; COMMUNITIES; BACTERIAL; METAANALYSIS; SEQUENCES;
ECOLOGY; GLUCOSE; TAXA; RARE
AB Local diversity (within-sample or alpha diversity) is often implicated as a cause of success or failure of a microbial community. However, the relationships between diversity and emergent properties of a community, such as its stability, productivity or invasibility, are much more nuanced. I argue that diversity without context provides limited insights into the mechanisms underpinning community patterns. I provide examples from traditional and microbial ecology to discuss common complications and assumptions about within-sample diversity that may prevent us from digging deeper into the more specific mechanisms underpinning community outcomes. I suggest that measurement of diversity should serve as a starting point for further inquiry of ecological mechanisms rather than an 'answer' to community outcomes.
C1 [Shade, Ashley] Michigan State Univ, Dept Microbiol & Mol Genet, Program Ecol Evolut & Behav, 2215 Biomed Phys Sci Bldg,567 Wilson Rd, E Lansing, MI 48824 USA.
[Shade, Ashley] Michigan State Univ, US DOE, Great Lakes Bioenergy Res Ctr, 2215 Biomed Phys Sci Bldg,567 Wilson Rd, E Lansing, MI 48824 USA.
RP Shade, A (reprint author), Michigan State Univ, Dept Microbiol & Mol Genet, Program Ecol Evolut & Behav, 2215 Biomed Phys Sci Bldg,567 Wilson Rd, E Lansing, MI 48824 USA.; Shade, A (reprint author), Michigan State Univ, US DOE, Great Lakes Bioenergy Res Ctr, 2215 Biomed Phys Sci Bldg,567 Wilson Rd, E Lansing, MI 48824 USA.
EM shadeash@msu.edu
OI Shade, Ashley/0000-0002-7189-3067
FU Michigan State University; DOE Great Lakes Bioenergy Research Center
(DOE BER Office of Science) [DE-FC02-07ER64494]; DOE OBP Office of
Energy Efficiency and Renewable Energy [DE-AC05-76RL01830]
FX This work was supported in part by Michigan State University, and in
part by the DOE Great Lakes Bioenergy Research Center (DOE BER Office of
Science DE-FC02-07ER64494) and the DOE OBP Office of Energy Efficiency
and Renewable Energy (DE-AC05-76RL01830). I thank Noah Fierer and
Jackson Sorensen for the insightful discussions, and reviewers for
valuable comments on the work.
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PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1751-7362
EI 1751-7370
J9 ISME J
JI ISME J.
PD JAN
PY 2017
VL 11
IS 1
BP 1
EP 6
DI 10.1038/ismej.2016.118
PG 6
WC Ecology; Microbiology
SC Environmental Sciences & Ecology; Microbiology
GA EL3RV
UT WOS:000394537700001
PM 27636395
ER
PT J
AU Meisel, M
Mayassi, T
Fehlner-Peach, H
Koval, JC
O'Brien, SL
Hinterleitner, R
Lesko, K
Kim, S
Bouziat, R
Chen, L
Weber, CR
Mazmanian, SK
Jabri, B
Antonopoulos, DA
AF Meisel, Marlies
Mayassi, Toufic
Fehlner-Peach, Hannah
Koval, Jason C.
O'Brien, Sarah L.
Hinterleitner, Reinhard
Lesko, Kathryn
Kim, Sangman
Bouziat, Romain
Chen, Li
Weber, Christopher R.
Mazmanian, Sarkis K.
Jabri, Bana
Antonopoulos, Dionysios A.
TI Interleukin-15 promotes intestinal dysbiosis with butyrate deficiency
associated with increased susceptibility to colitis
SO ISME JOURNAL
LA English
DT Article
ID INFLAMMATORY-BOWEL-DISEASE; CELIAC-DISEASE; GUT MICROBIOTA;
EPITHELIAL-CELLS; T-CELLS; IMMUNE-RESPONSES; FECAL BUTYRATE; COMMUNITY;
BACTERIA; IL-15
AB Dysbiosis resulting in gut-microbiome alterations with reduced butyrate production are thought to disrupt intestinal immune homeostasis and promote complex immune disorders. However, whether and how dysbiosis develops before the onset of overt pathology remains poorly defined. Interleukin-15 (IL-15) is upregulated in distressed tissue and its overexpression is thought to predispose susceptible individuals to and have a role in the pathogenesis of celiac disease and inflammatory bowel disease (IBD). Although the immunological roles of IL-15 have been largely studied, its potential impact on the microbiota remains unexplored. Analysis of 16S ribosomal RNA-based inventories of bacterial communities in mice overexpressing IL-15 in the intestinal epithelium (villin-IL-15 transgenic (v-IL-15tg) mice) shows distinct changes in the composition of the intestinal bacteria. Although some alterations are specific to individual intestinal compartments, others are found across the ileum, cecum and feces. In particular, IL-15 overexpression restructures the composition of the microbiota with a decrease in butyrate-producing bacteria that is associated with a reduction in luminal butyrate levels across all intestinal compartments. Fecal microbiota transplant experiments of wild-type and v-IL-15tg microbiota into germ-free mice further indicate that diminishing butyrate concentration observed in the intestinal lumen of v-IL-15tg mice is the result of intrinsic alterations in the microbiota induced by IL-15. This reconfiguration of the microbiota is associated with increased susceptibility to dextran sodium sulfate-induced colitis. Altogether, this study reveals that IL-15 impacts butyrate-producing bacteria and lowers butyrate levels in the absence of overt pathology, which represent events that precede and promote intestinal inflammatory diseases.
C1 [Meisel, Marlies; Mayassi, Toufic; Fehlner-Peach, Hannah; Hinterleitner, Reinhard; Lesko, Kathryn; Kim, Sangman; Bouziat, Romain; Chen, Li; Jabri, Bana; Antonopoulos, Dionysios A.] Univ Chicago, Dept Med, 5841 S Maryland Ave, Chicago, IL 60637 USA.
[Koval, Jason C.; O'Brien, Sarah L.; Antonopoulos, Dionysios A.] Argonne Natl Lab, Biosci Div, 9700 South Cass Ave,Bldg 446,Room A180, Argonne, IL 60439 USA.
[Weber, Christopher R.] Univ Chicago, Dept Pathol, 5841 S Maryland Ave, Chicago, IL 60637 USA.
[Mazmanian, Sarkis K.] CALTECH, Div Biol & Biol Engn, Pasadena, CA 91125 USA.
[Jabri, Bana] Univ Chicago, Dept Pediat, Dept Pathol, Chicago, IL 60637 USA.
[Antonopoulos, Dionysios A.] Univ Chicago, Inst Genom & Syst Biol, Chicago, IL 60637 USA.
[Fehlner-Peach, Hannah] NYU, Skirball Inst, New York, NY 10016 USA.
RP Jabri, B; Antonopoulos, DA (reprint author), Argonne Natl Lab, Biosci Div, 9700 South Cass Ave,Bldg 446,Room A180, Argonne, IL 60439 USA.
EM bjabri@bsd.uchicago.edu; dion@anl.gov
OI Kim, Sangman/0000-0002-8204-0393
FU Digestive Diseases Research Core Center at the University of Chicago
[DK42086]; US National Institutes of Health [R01DK078938, RO1DK67180];
FWF Austrian Science Fund [J 3418-B19]; US Department of Energy Office
of Science laboratory [DE-AC02-06CH11357]
FX This work was supported by grants from the Digestive Diseases Research
Core Center (DK42086) at the University of Chicago to DAA and BJ, the US
National Institutes of Health (R01DK078938) to SKM, (RO1DK67180) to BJ,
and FWF Austrian Science Fund (project no.: J 3418-B19) to MM. The
submitted manuscript has been created by UChicago Argonne, LLC, Operator
of Argonne National Laboratory ('Argonne'). Argonne, a US Department of
Energy Office of Science laboratory, is operated under contract no.
DE-AC02-06CH11357. The US 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.
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PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1751-7362
EI 1751-7370
J9 ISME J
JI ISME J.
PD JAN
PY 2017
VL 11
IS 1
BP 15
EP 30
DI 10.1038/ismej.2016.114
PG 16
WC Ecology; Microbiology
SC Environmental Sciences & Ecology; Microbiology
GA EL3RV
UT WOS:000394537700003
PM 27648810
ER
PT J
AU Browne, P
Tamaki, H
Kyrpides, N
Woyke, T
Goodwin, L
Imachi, H
Brauer, S
Yavitt, JB
Liu, WT
Zinder, S
Cadillo-Quiroz, H
AF Browne, Patrick
Tamaki, Hideyuki
Kyrpides, Nikos
Woyke, Tanja
Goodwin, Lynne
Imachi, Hiroyuki
Brauer, Suzanna
Yavitt, Joseph B.
Liu, Wen-Tso
Zinder, Stephen
Cadillo-Quiroz, Hinsby
TI Genomic composition and dynamics among Methanomicrobiales predict
adaptation to contrasting environments
SO ISME JOURNAL
LA English
DT Article
ID METHANE-PRODUCING ARCHAEON; HORIZONTAL GENE-TRANSFER; ACIDIC PEAT BOG;
METHANOGENIC ARCHAEA; SP-NOV; HETERODISULFIDE REDUCTASE;
HYDROGENOTROPHIC METHANOGEN; METHANOSARCINA-ACETIVORANS; ACIDIPHILIC
METHANOGEN; MAXIMUM-LIKELIHOOD
AB Members of the order Methanomicrobiales are abundant, and sometimes dominant, hydrogenotrophic (H-2-CO2 utilizing) methanoarchaea in a broad range of anoxic habitats. Despite their key roles in greenhouse gas emissions and waste conversion to methane, little is known about the physiological and genomic bases for their widespread distribution and abundance. In this study, we compared the genomes of nine diverse Methanomicrobiales strains, examined their pangenomes, reconstructed gene flow and identified genes putatively mediating their success across different habitats. Most strains slowly increased gene content whereas one, Methanocorpusculum labreanum, evidenced genome downsizing. Peat-dwelling Methanomicrobiales showed adaptations centered on improved transport of scarce inorganic nutrients and likely use H+ rather than Na+ transmembrane chemiosmotic gradients during energy conservation. In contrast, other Methanomicrobiales show the potential to concurrently use Na+ and H+ chemiosmotic gradients. Analyses also revealed that the Methanomicrobiales lack a canonical electron bifurcation system (MvhABGD) known to produce low potential electrons in other orders of hydrogenotrophic methanogens. Additional putative differences in anabolic metabolism suggest that the dynamics of interspecies electron transfer from Methanomicrobiales syntrophic partners can also differ considerably. Altogether, these findings suggest profound differences in electron trafficking in the Methanomicrobiales compared with other hydrogenotrophs, and warrant further functional evaluations.
C1 [Browne, Patrick; Cadillo-Quiroz, Hinsby] Arizona State Univ, Sch Life Sci, LSE 722,427 E Tyler Mall, Tempe, AZ 85287 USA.
[Tamaki, Hideyuki] Natl Inst Adv Ind Sci & Technol, Bioprod Res Inst, Ibaraki, Japan.
[Kyrpides, Nikos; Woyke, Tanja] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Goodwin, Lynne] Los Alamos Natl Lab, Los Alamos, NM USA.
[Imachi, Hiroyuki] Japan Agcy Marine Earth Sci & Technol, Dept Subsurface Geobiol Anal & Res, Yokosuka, Kanagawa, Japan.
[Brauer, Suzanna] Appalachian State Univ, Dept Biol, Boone, NC 28608 USA.
[Yavitt, Joseph B.] Cornell Univ, Dept Nat Resources, Fernow Hall, Ithaca, NY 14853 USA.
[Liu, Wen-Tso] Univ Illinois, Dept Civil & Environm Engn, Urbana, IL USA.
[Zinder, Stephen] Cornell Univ, Dept Microbiol, Ithaca, NY USA.
[Cadillo-Quiroz, Hinsby] Arizona State Univ, Biodesign Inst, Swette Ctr Environm Biotechnol, Tempe, AZ USA.
RP Cadillo-Quiroz, H (reprint author), Arizona State Univ, Sch Life Sci, LSE 722,427 E Tyler Mall, Tempe, AZ 85287 USA.
EM hinsby@asu.edu
FU US Department of Energy Joint Genome Institute, a DOE Office of Science
User Facility [DE-AC02-05CH11231]
FX The work conducted by the US Department of Energy Joint Genome
Institute, a DOE Office of Science User Facility, was supported under
Contract No. DE-AC02-05CH11231. We thank the three anonymous reviewers
for their important comments, suggestion and assessment for the
betterment of this manuscript.
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PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1751-7362
EI 1751-7370
J9 ISME J
JI ISME J.
PD JAN
PY 2017
VL 11
IS 1
BP 87
EP 99
DI 10.1038/ismej.2016.104
PG 13
WC Ecology; Microbiology
SC Environmental Sciences & Ecology; Microbiology
GA EL3RV
UT WOS:000394537700009
PM 27552639
ER
PT J
AU Wang, H
Sangwan, N
Li, HY
Su, JQ
Oyang, WY
Zhang, ZJ
Gilbert, JA
Zhu, YG
Ping, F
Zhang, HL
AF Wang, Hang
Sangwan, Naseer
Li, Hong-Yi
Su, Jian-Qiang
Oyang, Wei-Yin
Zhang, Zhi-Jian
Gilbert, Jack A.
Zhu, Yong-Guan
Ping, Fan
Zhang, Han-Luo
TI The antibiotic resistome of swine manure is significantly altered by
association with the Musca domestica larvae gut microbiome
SO ISME JOURNAL
LA English
DT Article
ID EARTHWORM EISENIA-FOETIDA; WATER TREATMENT PLANTS; HOUSE-FLY DIPTERA;
RESISTANCE GENES; ESCHERICHIA-COLI; BACTERIAL COMMUNITIES; HORIZONTAL
TRANSFER; GENOME ANNOTATION; SOIL BACTERIA; INTEGRONS
AB The overuse of antibiotics as veterinary feed additives is potentially contributing to a significant reservoir of antibiotic resistance in agricultural farmlands via the application of antibiotic-contaminated manure. Vermicomposting of swine manure using housefly larvae is a promising biotechnology for waste reduction and control of antibiotic pollution. To determine how vermicomposting influences antibiotic resistance traits in swine manure, we explored the resistome and associated bacterial community dynamics during larvae gut transit over 6 days of treatment. In total, 94 out of 158 antibiotic resistance genes (ARGs) were significantly attenuated (by 85%), while 23 were significantly enriched (3.9-fold) following vermicomposting. The manure-borne bacterial community showed a decrease in the relative abundance of Bacteroidetes, and an increase in Proteobacteria, specifically Ignatzschineria, following gut transit. ARG attenuation was significantly correlated with changes in microbial community succession, especially reduction in Clostridiales and Bacteroidales. Six genomes were assembled from the manure, vermicompost (final product) and gut samples, including Pseudomonas, Providencia, Enterococcus, Bacteroides and Alcanivorax. Transposon-linked ARGs were more abundant in gut-associated bacteria compared with those from manure and vermicompost. Further, ARG-transposon gene cassettes had a high degree of synteny between metagenomic assemblies from gut and vermicompost samples, highlighting the significant contribution of gut microbiota through horizontal gene transfer to the resistome of vermicompost. In conclusion, the larvae gut microbiome significantly influences manure-borne community succession and the antibiotic resistome during animal manure processing.
C1 [Wang, Hang; Li, Hong-Yi; Zhang, Zhi-Jian; Ping, Fan; Zhang, Han-Luo] Zhejiang Univ, Coll Environm & Resource Sci, 866 YuHangTang Ave, Hangzhou 310058, Zhejiang, Peoples R China.
[Wang, Hang] Southwest Forestry Univ, Natl Plateau Wetlands Res Ctr, Kunming, Peoples R China.
[Sangwan, Naseer; Gilbert, Jack A.] Argonne Natl Lab, Inst Genom & Syst Biol, Lemont, IL USA.
[Su, Jian-Qiang; Oyang, Wei-Yin; Zhu, Yong-Guan] Chinese Acad Sci, Inst Urban Environm, Key Lab Urban Environm & Hlth, Xiamen, Peoples R China.
[Zhang, Zhi-Jian] Zhejiang Univ, China Acad West Reg Dev, Hangzhou, Zhejiang, Peoples R China.
[Gilbert, Jack A.] Univ Chicago, Dept Surg, 5841 S Maryland Ave, Chicago, IL 60637 USA.
RP Zhang, ZJ (reprint author), Zhejiang Univ, Coll Environm & Resource Sci, 866 YuHangTang Ave, Hangzhou 310058, Zhejiang, Peoples R China.; Zhang, ZJ (reprint author), Zhejiang Univ, Res Ctr Water & Watershed Sustainabil, China Acad West Reg Dev, 866 YuHangTang Ave, Hangzhou 310058, Zhejiang, Peoples R China.; Gilbert, JA (reprint author), Univ Chicago, Dept Surg, Med Ctr, 54th St, Chicago, IL 60637 USA.
EM zhangzhijian@zju.edu.cn; gilbertjack@uchicago.edu
RI Zhu, Yong-Guan/A-1412-2009
OI Zhu, Yong-Guan/0000-0003-3861-8482
FU National Natural Science Foundation of China [41373074, 21210008];
Zhejiang Science and Technology Innovation Program [2013C33001,
2015C03SA420001]; National Key Research and Development Plan
[2016YFD0900205]; US Department of Energy [DE-AC02-06CH11357]
FX This work was supported by the National Natural Science Foundation of
China (41373074, 21210008), Zhejiang Science and Technology Innovation
Program (2013C33001, 2015C03SA420001), and the National Key Research and
Development Plan (2016YFD0900205). This work was supported in part by
the US Department of Energy under Contract DE-AC02-06CH11357.
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PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1751-7362
EI 1751-7370
J9 ISME J
JI ISME J.
PD JAN
PY 2017
VL 11
IS 1
BP 100
EP 111
DI 10.1038/ismej.2016.103
PG 12
WC Ecology; Microbiology
SC Environmental Sciences & Ecology; Microbiology
GA EL3RV
UT WOS:000394537700010
PM 27458785
ER
PT J
AU Thompson, LR
Williams, GJ
Haroon, MF
Shibl, A
Larsen, P
Shorenstein, J
Knight, R
Stingl, U
AF Thompson, Luke R.
Williams, Gareth J.
Haroon, Mohamed F.
Shibl, Ahmed
Larsen, Peter
Shorenstein, Joshua
Knight, Rob
Stingl, Ulrich
TI Metagenomic covariation along densely sampled environmental gradients in
the Red Sea
SO ISME JOURNAL
LA English
DT Article
ID PROCHLOROCOCCUS ECOTYPES; PHOSPHONATE UTILIZATION; K-MERS; ADAPTATION;
SELECTION; GENOMICS; STRESS; CLASSIFICATION; POPULATIONS; PATHWAYS
AB Oceanic microbial diversity covaries with physicochemical parameters. Temperature, for example, explains approximately half of global variation in surface taxonomic abundance. It is unknown, however, whether covariation patterns hold over narrower parameter gradients and spatial scales, and extending to mesopelagic depths. We collected and sequenced 45 epipelagic and mesopelagic microbial metagenomes on a meridional transect through the eastern Red Sea. We asked which environmental parameters explain the most variation in relative abundances of taxonomic groups, gene ortholog groups, and pathways-at a spatial scale of <2000 km, along narrow but well-defined latitudinal and depth-dependent gradients. We also asked how microbes are adapted to gradients and extremes in irradiance, temperature, salinity, and nutrients, examining the responses of individual gene ortholog groups to these parameters. Functional and taxonomic metrics were equally well explained (75-79%) by environmental parameters. However, only functional and not taxonomic covariation patterns were conserved when comparing with an intruding water mass with different physicochemical properties. Temperature explained the most variation in each metric, followed by nitrate, chlorophyll, phosphate, and salinity. That nitrate explained more variation than phosphate suggested nitrogen limitation, consistent with low surface N:P ratios. Covariation of gene ortholog groups with environmental parameters revealed patterns of functional adaptation to the challenging Red Sea environment: high irradiance, temperature, salinity, and low nutrients. Nutrient-acquisition gene ortholog groups were anti-correlated with concentrations of their respective nutrient species, recapturing trends previously observed across much larger distances and environmental gradients. This dataset of metagenomic covariation along densely sampled environmental gradients includes online data exploration supplements, serving as a community resource for marine microbial ecology.
C1 [Thompson, Luke R.; Haroon, Mohamed F.; Shibl, Ahmed; Stingl, Ulrich] KAUST, Red Sea Res Ctr, Thuwal, Saudi Arabia.
[Thompson, Luke R.; Shorenstein, Joshua; Knight, Rob] Univ Calif San Diego, Dept Pediat, 9500 Gilman Dr, San Diego, CA 92037 USA.
[Williams, Gareth J.] Scripps Inst Oceanog, Ctr Marine Biodivers & Conservat, La Jolla, CA USA.
[Williams, Gareth J.] Bangor Univ, Sch Ocean Sci, Anglesey, Wales.
[Larsen, Peter] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Knight, Rob] Univ Calif San Diego, Dept Comp Sci, San Diego, CA 92103 USA.
RP Thompson, LR; Stingl, U (reprint author), Univ Calif San Diego, Dept Pediat, 9500 Gilman Dr, San Diego, CA 92037 USA.
EM luket@alum.mit.edu; ulistingl@gmail.com
FU Saudi Basic Industries Corporation (SABIC)
FX We thank chief scientist Amy Bower, co-chief scientist Yasser Abualnaja,
Leah Trafford, Dan McCorkle and other scientists from the Woods Hole
Oceanographic Institution, the captain and crew of the R/V Aegaeo and
the Hellenic Center for Marine Research and Red Sea Research Center
Director James Luyten for their help on the 2011 KAUST (King Abdullah
University of Science and Technology) Red Sea Expedition. Assistance
with DNA extraction was provided by Matt Cahill, David Ngugi and
Francisco Acosta Espinosa. Bioinformatics assistance was provided by
Mamoon Rashid and James Morton. Statistics assistance was provided by
Mikyoung Jun, Myoungji Lee, Yoan Eynaud and James Morton. We thank Jon
Sanders, Jenan Kharbush and Lihini Aluwihare for helpful comments on the
manuscript. We also thank colleagues who suggested KOs hypothesized to
have interesting ecological patterns: Paul Berube, Yue Guan, Laura
Villanueva, Francisco Rodriguez-Valera, Nathan Ahlgren, Zhenfeng Liu,
Francy Jimenez and Ulrike Pfreundt. This work was funded in part by a
postdoctoral fellowship to LRT from the Saudi Basic Industries
Corporation (SABIC).
NR 55
TC 0
Z9 0
U1 4
U2 4
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1751-7362
EI 1751-7370
J9 ISME J
JI ISME J.
PD JAN
PY 2017
VL 11
IS 1
BP 138
EP 151
DI 10.1038/ismej.2016.99
PG 14
WC Ecology; Microbiology
SC Environmental Sciences & Ecology; Microbiology
GA EL3RV
UT WOS:000394537700013
PM 27420030
ER
PT J
AU Howard-Varona, C
Roux, S
Dore, H
Solonenko, NE
Holmfeldt, K
Markillie, LM
Orr, G
Sullivan, MB
AF Howard-Varona, Cristina
Roux, Simon
Dore, Hugo
Solonenko, Natalie E.
Holmfeldt, Karin
Markillie, Lye M.
Orr, Galya
Sullivan, Matthew B.
TI Regulation of infection efficiency in a globally abundant marine
Bacteriodetes virus
SO ISME JOURNAL
LA English
DT Article
ID LATENT-PERIOD EVOLUTION; ESCHERICHIA-COLI; GENE-EXPRESSION;
BACTERIOPHAGE INFECTION; LACTOCOCCUS-LACTIS; BACILLUS-SUBTILIS; LYTIC
INFECTION; GENOME; TRANSCRIPTION; DYNAMICS
AB Bacteria impact humans, industry and nature, but do so under viral constraints. Problematically, knowledge of viral infection efficiencies and outcomes derives from few model systems that over-represent efficient lytic infections and under-represent virus-host natural diversity. Here we sought to understand infection efficiency regulation in an emerging environmental Bacteroidetes-virus model system with markedly different outcomes on two genetically and physiologically nearly identical host strains. For this, we quantified bacterial virus (phage) and host DNA, transcripts and phage particles throughout both infections. While phage transcriptomes were similar, transcriptional differences between hosts suggested host-derived regulation of infection efficiency. Specifically, the alternative host overexpressed DNA degradation genes and underexpressed translation genes, which seemingly targeted phage DNA particle production, as experiments revealed they were both significantly delayed (by >30 min) and reduced (by >50%) in the inefficient infection. This suggests phage failure to repress early alternative host expression and stress response allowed the host to respond against infection by delaying phage DNA replication and protein translation. Given that this phage type is ubiquitous and abundant in the global oceans and that variable viral infection efficiencies are central to dynamic ecosystems, these data provide a critically needed foundation for understanding and modeling viral infections in nature.
C1 [Howard-Varona, Cristina; Sullivan, Matthew B.] Univ Arizona, Dept Mol & Cellular Biol, Tucson, AZ 85721 USA.
[Roux, Simon; Solonenko, Natalie E.; Sullivan, Matthew B.] Univ Arizona, Dept Ecol & Evolutionary Biol, Tucson, AZ USA.
[Dore, Hugo] ENS Lyon, Dept Biol, Lyon, France.
[Holmfeldt, Karin] Linnaeus Univ, Sch Nat Sci, Kalmar, Sweden.
[Markillie, Lye M.; Orr, Galya] PNNL, Environm Mol Sci Lab, Richland, WA USA.
[Howard-Varona, Cristina; Roux, Simon; Solonenko, Natalie E.; Sullivan, Matthew B.] Ohio State Univ, Dept Microbiol, 484 W 12th Ave, Columbus, OH 43210 USA.
[Sullivan, Matthew B.] Ohio State Univ, Dept Civil Environm & Geodet Engn, Columbus, OH 43210 USA.
RP Sullivan, MB (reprint author), Ohio State Univ, Dept Microbiol & Civil Environm & Geodet Engn, Columbus, OH 43210 USA.
EM mbsulli@gmail.com
FU NIH Graduate Training Grant in Biochemistry and Molecular Biology [T32
GM008659]; UA Ecosystem Genomics Institute through the UA Technology and
Research Initiative Fund; Water, Environmental, and Energy Solutions
Initiative; Department of Energy's Office of Biological and
Environmental Research; PNNL; Gordon and Betty Moore Foundation grants
(GBMF) [2631, 3790]; DOE EMSL User Award [47930]
FX We thank members from the Tucson Marine Phage Lab at the University of
Arizona, especially Lacey Orsini, Sarah Schwenck, Clayton Pierce,
Cassidy Danbury and Mario Moreno for technical support; Dr W Day from
the Arizona Health Sciences Center Imaging Core facility for TEM
support; and Dr H Mitchell at PNNL for initial bioinformatics support.
Partial support for CHV came from the NIH Graduate Training Grant in
Biochemistry and Molecular Biology T32 GM008659. SR was partly supported
by a grant to the UA Ecosystem Genomics Institute through the UA
Technology and Research Initiative Fund and the Water, Environmental,
and Energy Solutions Initiative. Part of the research was performed
using 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 PNNL. This work
was also funded by the Gordon and Betty Moore Foundation grants (GBMF
no. 2631, 3790) and a DOE EMSL User Award (no. 47930) to MBS.
NR 69
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U1 4
U2 4
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1751-7362
EI 1751-7370
J9 ISME J
JI ISME J.
PD JAN
PY 2017
VL 11
IS 1
BP 284
EP 295
DI 10.1038/ismej.2016.81
PG 12
WC Ecology; Microbiology
SC Environmental Sciences & Ecology; Microbiology
GA EL3RV
UT WOS:000394537700025
PM 27187794
ER
PT J
AU Ren, SJ
Ye, XP
Borole, AP
AF Ren, Shoujie
Ye, X. Philip
Borole, Abhijeet P.
TI Separation of chemical groups from bio-oil water-extract via sequential
organic solvent extraction
SO JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
LA English
DT Article
DE Bio-oil aqueous phase; Organic solvent; Solvent extraction; Chemical
groups
ID LIQUID-LIQUID-EXTRACTION; FAST-PYROLYSIS; AQUEOUS-PHASE;
HYDROGEN-PRODUCTION; BIOMASS PYROLYSIS; ACETIC-ACID; WHEAT-STRAW; BED
REACTOR; RECOVERY; GAS
AB The chemical complexity of bio-oil aqueous phase limits its efficient utilization. To improve the efficiency of the bio-oil biorefinery, this study focused on the separation of chemical groups from the bio-oil water-extract via sequential organic solvent extractions. Due to their high recoverability and low solubility in water, four solvents (hexane, petroleum ether, chloroform, and ethyl acetate) with different polarities were evaluated, and the optimum process conditions for chemical extraction were determined. Chloroform had high extraction efficiency for furans, phenolics, and ketones. In addition to these classes of chemical, ethyl acetate had a high extraction efficiency for organic acids. The sequential extraction using chloroform followed by ethyl acetate resulted in 62.2 wt.% of original furans, ketones, alcohols, and phenolics being extracted into chloroform, while 62 wt.% acetic acid was extracted into ethyl acetate, leaving behind a high concentration of levoglucosan (similar to 53.0 wt.%) in the final aqueous phase. Chemicals separated via the sequential extraction could be used as feedstocks in a biorefinery using processes such as catalytic upgrading of furans and phenolics to hydrocarbons, fermentation of levoglucosan to produce alcohols and diols, and hydrogen production from organic acids via microbial electrolysis. (C) 2017 Elsevier B.V. All rights reserved.
C1 [Ren, Shoujie; Ye, X. Philip] Univ Tennessee, Biosyst Engn & Soil Sci, Knoxville, TN 37996 USA.
[Borole, Abhijeet P.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
RP Ye, XP (reprint author), Univ Tennessee, Biosyst Engn & Soil Sci, Knoxville, TN 37996 USA.
EM xye2@utk.edu
FU U.S. Department of Energy, BioEnergy Technologies Office under the
Carbon, Hydrogen and Separations Efficiency (CHASE) in Bio-Oil
Conversion Pathways program [DE-FOA-0000812]; U.S. Department of Energy
[DEAC05-00OR22725]
FX We acknowledge funding for this work from the U.S. Department of Energy,
BioEnergy Technologies Office under the Carbon, Hydrogen and Separations
Efficiency (CHASE) in Bio-Oil Conversion Pathways program,
DE-FOA-0000812. The manuscript is coauthored by UT-Battelle, LLC, under
Contract DEAC05-00OR22725 with the U.S. Department of Energy. The
authors also thank Drs.Pyoungchung Kim and Nicole Labbe at the
University of Tennessee Center of Renewable Carbon for help in the
production of bio-oil.
NR 43
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U1 1
U2 1
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0165-2370
EI 1873-250X
J9 J ANAL APPL PYROL
JI J. Anal. Appl. Pyrolysis
PD JAN
PY 2017
VL 123
BP 30
EP 39
DI 10.1016/j.jaap.2017.01.004
PG 10
WC Chemistry, Analytical; Spectroscopy
SC Chemistry; Spectroscopy
GA EK6VN
UT WOS:000394064200004
ER
PT J
AU Johansson, AC
Iisa, K
Sandstrom, L
Ben, HX
Pilath, H
Deutch, S
Wiinikka, H
Ohrman, OGW
AF Johansson, Ann-Christine
Iisa, Kristiina
Sandstrom, Linda
Ben, Haoxi
Pilath, Heidi
Deutch, Steve
Wiinikka, Henrik
Ohrman, Olov G. W.
TI Fractional condensation of pyrolysis vapors produced from Nordic
feedstocks in cyclone pyrolysis
SO JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
LA English
DT Article
DE Fractional condensation; Pyrolysis; Cyclone pyrolysis; Nordic feedstock;
Oil characterization
ID BIOMASS FAST PYROLYSIS; BIO-OIL; STAGE FRACTIONS; PILOT-PLANT; REACTOR;
LIQUID; FUEL
AB Pyrolysis oil is a complex mixture of different chemical compounds with a wide range of molecular weights and boiling points. Due to its complexity, an efficient fractionation of the oil may be a more promising approach of producing liquid fuels and chemicals than treating the whole oil. In this work a sampling system based on fractional condensation was attached to a cyclone pyrolysis pilot plant to enable separation of the produced pyrolysis vapors into five oil fractions. The sampling system was composed of cyclonic condensers and coalescing filters arranged in series. The objective was to characterize the oil fractions produced from three different Nordic feedstocks and suggest possible applications. The oil fractions were thoroughly characterized using several analytical techniques including water content; elemental composition; heating value, and chemical compound group analysis using solvent fractionation, quantitative C-13 NMR and H-1 NMR and GC x GC - TOFMS. The results show that the oil fractions significantly differ from each other both in chemical and physical properties. The first fractions and the fraction composed of aerosols were highly viscous and contained larger energy-rich compounds of mainly lignin-derived material. The middle fraction contained medium-size compounds with relatively high concentration of water, sugars, alcohols, hydrocarbonyls and acids and finally the last fraction contained smaller molecules such as water, aldehydes, ketones and acids. However, the properties of the respective fractions seem independent on the studied feedstock types, i.e. the respective fractions produced from different feedstock are rather similar. This promotes the possibility to vary the feedstock depending on availability while retaining the oil properties. Possible applications of the five fractions vary from oil for combustion and extraction of the pyrolytic lignin in the early fractions to extraction of sugars from the early and middle fractions, and extraction of acids and aldehydes in the later fractions. (C) 2017 Elsevier B.V. All rights reserved.
C1 [Johansson, Ann-Christine; Sandstrom, Linda; Wiinikka, Henrik; Ohrman, Olov G. W.] SP Energy Technol Ctr AB, Box 726, SE-94128 Pitea, Sweden.
[Iisa, Kristiina; Ben, Haoxi; Pilath, Heidi; Deutch, Steve] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
RP Johansson, AC (reprint author), SP Energy Technol Ctr AB, Box 726, SE-94128 Pitea, Sweden.
EM ann-christine.johansson@sp.se
FU Swedish Energy Agency; U.S Department of Energy [DE-AC36-08GO28308];
National Renewable Energy Laboratory
FX The authors would like to thank the Swedish Energy Agency and the U.S
Department of Energy under Contract No. DE-AC36-08GO28308 with the
National Renewable Energy Laboratory for funding this work. The authors
would also want to thank Dr. Per Carlsson for initiating this project.
Calle Ylipaa, Mathias Lundgren, Daniel Svensson and Jimmy Narvesjo are
acknowledged for invaluable technical assistance and operation of the
cyclone pyrolyzer and David Johnson, Michele Myers, and Stuart Black for
chemical analyses. Also the pulp and paper mill Smurfit Kappa Kraftliner
Pitea is acknowledged for providing the bark and forest residue used in
this project.
NR 37
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U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0165-2370
EI 1873-250X
J9 J ANAL APPL PYROL
JI J. Anal. Appl. Pyrolysis
PD JAN
PY 2017
VL 123
BP 244
EP 254
DI 10.1016/j.jaap.2016.11.020
PG 11
WC Chemistry, Analytical; Spectroscopy
SC Chemistry; Spectroscopy
GA EK6VN
UT WOS:000394064200027
ER
PT J
AU Waters, EM
Rudkin, JK
Coughlan, S
Clair, GC
Adkins, JN
Gore, S
Xia, GQ
Black, NS
Downing, T
O'Neill, E
Kadioglu, A
O'Gara, JP
AF Waters, Elaine M.
Rudkin, Justine K.
Coughlan, Simone
Clair, Geremy C.
Adkins, Joshua N.
Gore, Suzanna
Xia, Guoqing
Black, Nikki S.
Downing, Tim
O'Neill, Eoghan
Kadioglu, Aras
O'Gara, James P.
TI Redeploying beta-Lactam Antibiotics as a Novel Antivirulence Strategy
for the Treatment of Methicillin-Resistant Staphylococcus aureus
Infections
SO JOURNAL OF INFECTIOUS DISEASES
LA English
DT Article
DE MRSA; antibiotic; beta-lactam; virulence; attenuation
ID PANTON-VALENTINE LEUKOCIDIN; COMBINATION; BACTEREMIA; VANCOMYCIN;
THERAPY; GENES
AB Innovative approaches to the use of existing antibiotics is an important strategy in efforts to address the escalating antimicrobial resistance crisis. We report a new approach to the treatment of methicillin-resistant Staphylococcus aureus (MRSA) infections by demonstrating that oxacillin can be used to significantly attenuate the virulence of MRSA despite the pathogen being resistant to this drug. Using mechanistic in vitro assays and in vivo models of invasive pneumonia and sepsis, we show that oxacillin-treated MRSA strains are significantly attenuated in virulence. This effect is based primarily on the oxacillin-dependent repression of the accessory gene regulator quorum-sensing system and altered cell wall architecture, which in turn lead to increased susceptibility to host killing of MRSA. Our data indicate that beta-lactam antibiotics should be included in the treatment regimen as an adjunct antivirulence therapy for patients with MRSA infections. This would represent an important change to current clinical practice for treatment of MRSA infection, with the potential to significantly improve patient outcomes in a safe, cost-effective manner.
C1 [Waters, Elaine M.; Gore, Suzanna; Kadioglu, Aras] Univ Liverpool, Inst Infect & Global Hlth, Dept Clin Infect Microbiol & Immunol, Liverpool, Merseyside, England.
[Xia, Guoqing] Univ Manchester, Fac Biol Med & Hlth, Div Infect Immun & Resp Med, Manchester, Lancs, England.
[Rudkin, Justine K.; Black, Nikki S.; O'Gara, James P.] Natl Univ Ireland, Sch Nat Sci, Dept Microbiol, Galway, Ireland.
[Coughlan, Simone; Downing, Tim] Natl Univ Ireland, Sch Math Stat & Appl Math, Galway, Ireland.
[Downing, Tim] Dublin City Univ, Sch Biotechnol, Dublin, Ireland.
[O'Neill, Eoghan] Connolly Hosp, Royal Coll Surg Ireland, Dept Clin Microbiol, Dublin, Ireland.
[Clair, Geremy C.; Adkins, Joshua N.] Pacific Northwest Natl Lab, Biol Sci Div, Richland, WA USA.
RP O'Gara, JP (reprint author), Natl Univ Ireland, Dept Microbiol, Galway, Ireland.
EM jamesp.ogara@nuigalway.ie
FU Irish Health Research Board [HRA_POR/2012/51]; University of Liverpool;
United Kingdom Medical Research Council; NIH National Institute of
General Medical Sciences [GM103493, GM094623]
FX This work was supported by the Irish Health Research Board
(HRA_POR/2012/51) (to J. P. O.), the University of Liverpool (pump
priming award to E. M. W.), and the United Kingdom Medical Research
Council (to A. K.). Contributions by J. N. A. and J. C. C. were
supported by the NIH National Institute of General Medical Sciences
(GM103493 and GM094623).
NR 31
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U1 0
U2 0
PU OXFORD UNIV PRESS INC
PI CARY
PA JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA
SN 0022-1899
EI 1537-6613
J9 J INFECT DIS
JI J. Infect. Dis.
PD JAN 1
PY 2017
VL 215
IS 1
BP 80
EP 87
DI 10.1093/infdis/jiw461
PG 8
WC Immunology; Infectious Diseases; Microbiology
SC Immunology; Infectious Diseases; Microbiology
GA EP2HH
UT WOS:000397203500014
PM 28077586
ER
PT J
AU Ngai, JH
Ahmadi-Majlan, K
Moghadam, J
Chrysler, M
Kumah, D
Walker, FJ
Ahn, CH
Droubay, T
Du, Y
Chambers, SA
Bowden, M
Shen, X
Su, D
AF Ngai, J. H.
Ahmadi-Majlan, K.
Moghadam, J.
Chrysler, M.
Kumah, D.
Walker, F. J.
Ahn, C. H.
Droubay, T.
Du, Y.
Chambers, S. A.
Bowden, M.
Shen, X.
Su, D.
TI Electrically coupling complex oxides to semiconductors: A route to novel
material functionalities
SO JOURNAL OF MATERIALS RESEARCH
LA English
DT Article
ID PRECISE DETERMINATION; CRYSTALLINE OXIDES; THIN-FILMS; SILICON; DEVICES;
BATIO3; TRANSISTORS; PHYSICS; SRTIO3; SI
AB Complex oxides and semiconductors exhibit distinct yet complementary properties owing to their respective ionic and covalent natures. By electrically coupling complex oxides to traditional semiconductors within epitaxial heterostructures, enhanced or novel functionalities beyond those of the constituent materials can potentially be realized. Essential to electrically coupling complex oxides to semiconductors is control of the physical structure of the epitaxially grown oxide, as well as the electronic structure of the interface. Here we discuss how composition of the perovskite A-and B-site cations can be manipulated to control the physical and electronic structure of semiconductor-complex oxide heterostructures. Two prototypical heterostructures, Ba1-xSrxTiO3/Ge and SrZrxTi1-xO3/Ge, will be discussed. In the case of Ba1-xSrxTiO3/Ge, we discuss how strain can be engineered through A-site composition to enable the re-orientable ferroelectric polarization of the former to be coupled to carriers in the semiconductor. In the case of SrZrxTi1-xO3/Ge we discuss how B-site composition can be exploited to control the band offset at the interface. Analogous to heterojunctions between compound semiconducting materials, control of band offsets, i.e., band-gap engineering, provides a pathway to electrically couple complex oxides to semiconductors to realize a host of functionalities.
C1 [Ngai, J. H.; Ahmadi-Majlan, K.; Moghadam, J.; Chrysler, M.] Univ Texas Arlington, Dept Phys, Arlington, TX 76019 USA.
[Kumah, D.; Walker, F. J.; Ahn, C. H.] Yale Univ, Dept Appl Phys, New Haven, CT 06511 USA.
[Kumah, D.; Walker, F. J.; Ahn, C. H.] Yale Univ, Ctr Res Interface Struct & Phenomena, New Haven, CT 06511 USA.
[Droubay, T.; Du, Y.; Chambers, S. A.] Pacific Northwest Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
[Bowden, M.] Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
[Shen, X.; Su, D.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
RP Ngai, JH (reprint author), Univ Texas Arlington, Dept Phys, Arlington, TX 76019 USA.
EM jngai@uta.edu
RI Kumah, Divine/A-7031-2011
OI Kumah, Divine/0000-0003-0715-1285
FU University of Texas at Arlington; National Science Foundation (NSF)
[DMR-1508530]; NSF [DMR-1309868]; U.S. Department of Energy, Office of
Basic Energy Sciences [DEAC02-98CH10886]; U.S. Department of Energy,
Office of Science, Division of Materials Sciences and Engineering
[10122]; Department of Energy's Office of Biological and Environmental
Research; Pacific Northwest National Laboratory
FX This work was supported by the University of Texas at Arlington and the
National Science Foundation (NSF) under DMR-1508530. The work performed
at Yale University was supported by the NSF under DMR-1309868. The work
performed at Brookhaven National Laboratory was supported by U.S.
Department of Energy, Office of Basic Energy Sciences, under Contract
No. DEAC02-98CH10886. The work performed at Pacific Northwest National
Laboratory was supported by the U.S. Department of Energy, Office of
Science, Division of Materials Sciences and Engineering under Award
10122, and was carried out 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.
NR 42
TC 0
Z9 0
U1 2
U2 2
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0884-2914
EI 2044-5326
J9 J MATER RES
JI J. Mater. Res.
PD JAN
PY 2017
VL 32
IS 2
BP 249
EP 259
DI 10.1557/jmr.2016.496
PG 11
WC Materials Science, Multidisciplinary
SC Materials Science
GA EP6DB
UT WOS:000397467200001
ER
PT J
AU Palchoudhury, S
Zhou, ZY
Ramasamy, K
Okirie, F
Prevelige, PE
Gupta, A
AF Palchoudhury, Soubantika
Zhou, Ziyou
Ramasamy, Karthik
Okirie, Franklin
Prevelige, Peter E.
Gupta, Arunava
TI Self-assembly of P22 protein cages with polyamidoamine dendrimer and
inorganic nanoparticles
SO JOURNAL OF MATERIALS RESEARCH
LA English
DT Article
ID VIRUS-LIKE PARTICLES; IRON-OXIDE NANOPARTICLES; COAT PROTEIN; COFE2O4
NANOCRYSTALS; GROWTH; FUNCTIONALIZATION; NANOSTRUCTURES; MATURATION;
STABILITY; MECHANISM
AB Protein cage based nanoarchitectures hold great potential in the fields of energy, catalysis, and bio-applications owing to their ability to tune material's properties in a benign biomimetic approach. We demonstrate the self-assembly of bacteriophage P22 using inorganic nanoparticles and dendrimers for the first time. Inorganic nanoparticles (iron oxide, CoFe2O4, and Au) and polyamidoamine serve as model systems for rigid and soft linker materials, respectively, to induce P22 assembly via electrostatic interaction. We observed distinctly different packing of P22 using nanoparticles as compared to the polyamidoamine polymer. Notably, the ratio of nanoparticle: P22 and ligand packing on the nanoparticle surface are dominant controls for this assembly. The best results are obtained at 6.5: 1 nanoparticle: P22 number ratio in the presence of 50 mM NaCl, pH = 6. In contrast, dense area assembly of P22 is observed at 8: 1 polyamidoamine: P22 number ratio with 1 M NaCl (pH; 7.5) for the dendrimer.
C1 [Palchoudhury, Soubantika] Univ Tennessee, Dept Civil & Chem Engn, Chattanooga, TN 37403 USA.
[Zhou, Ziyou; Gupta, Arunava] Univ Alabama, Ctr Mat Informat Technol, Tuscaloosa, AL 35487 USA.
[Ramasamy, Karthik] Ctr Integrated Nanotechnol, Los Alamos Natl Lab, Albuquerque, NM 87185 USA.
[Okirie, Franklin; Gupta, Arunava] Univ Alabama, Dept Chem & Biol Engn, Tuscaloosa, AL 35487 USA.
[Prevelige, Peter E.] Univ Alabama Birmingham, Dept Microbiol, Birmingham, AL 35294 USA.
RP Palchoudhury, S (reprint author), Univ Tennessee, Dept Civil & Chem Engn, Chattanooga, TN 37403 USA.; Gupta, A (reprint author), Univ Alabama, Ctr Mat Informat Technol, Tuscaloosa, AL 35487 USA.; Ramasamy, K (reprint author), Ctr Integrated Nanotechnol, Los Alamos Natl Lab, Albuquerque, NM 87185 USA.; Gupta, A (reprint author), Univ Alabama, Dept Chem & Biol Engn, Tuscaloosa, AL 35487 USA.; Prevelige, PE (reprint author), Univ Alabama Birmingham, Dept Microbiol, Birmingham, AL 35294 USA.
EM soubantika-palchoudhury@utc.edu; kramasamy@lanl.gov; prevelig@uab.edu;
agupta@mint.ua.edu
FU US DOE, Office of Basic Energy Sciences, Division of Materials Sciences
and Engineering [DE-FG02-08ER46537]
FX This work was supported by the US DOE, Office of Basic Energy Sciences,
Division of Materials Sciences and Engineering Award DE-FG02-08ER46537.
The authors acknowledge UA-MINT Center and thank CAF for use of TEM. The
authors also acknowledge Dr. Yuping Bao for use of DLS. SP thanks UT
Chattanooga for support.
NR 31
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U1 0
U2 0
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0884-2914
EI 2044-5326
J9 J MATER RES
JI J. Mater. Res.
PD JAN
PY 2017
VL 32
IS 2
BP 465
EP 472
DI 10.1557/jmr.2016.439
PG 8
WC Materials Science, Multidisciplinary
SC Materials Science
GA EP6DB
UT WOS:000397467200020
ER
PT J
AU Ozdemir, TE
Akdogan, EK
Savkliyildiz, I
Bicer, H
Ornek, M
Zhong, Z
Tsakalakos, T
AF Ozdemir, Tevfik E.
Akdogan, Enver Koray
Savkliyildiz, Ilyas
Bicer, Hulya
Ornek, Metin
Zhong, Zhong
Tsakalakos, Thomas
TI Electric field effect on chemical and phase equilibria in
nano-TiB2-TiO2-TiBO3 system at < 650 degrees C: an in situ time-resolved
energy dispersive x-ray diffraction study with an ultrahigh energy
synchrotron probe
SO JOURNAL OF MATERIALS RESEARCH
LA English
DT Article
ID TITANIUM DIBORIDE; MECHANICAL-PROPERTIES; PLASTIC-DEFORMATION; OXYGEN
VACANCIES; TIB2; OXIDATION; TEMPERATURE; COMPOSITES; CERAMICS;
DENSIFICATION
AB Nano-TiB2 powder of 58 nm size with TiO2 and TiBO3 as secondary phases was heated with 20 degrees C to,650 degrees C in argon while applying an electric field. The powder became conductive at 520 and 305 degrees C (T-onset) for 16 and 40 V/cm, respectively, at which point current bursts of 4.5 and 10.0 A (peak value) were observed. Current bursts were accompanied by >1% TiB2 unit cell expansion, exceeding zero field thermally induced expansion. The current bursts also induced nonisothermal reaction between TiB2 and TiO2, yielding TiBO3 that is absent with no field. Increase from 16 to 40 V/cm shifts the TiB2 -> TiBO3 reaction forward, decreases Tonset but increases reaction rate. Analysis using Van't Hoff relation, including electrochemical effects, precluded possibility of appreciable Joule heating, which was supported with adiabatic internal temperature calculations. The observed low temperature oxidation of TiB2 to TiBO3 that is electrochemically driven and is mediated by the TiO2 solid electrolyte.
C1 [Ozdemir, Tevfik E.; Akdogan, Enver Koray; Ornek, Metin; Tsakalakos, Thomas] Rutgers State Univ, Dept Mat Sci & Engn, Piscataway, NJ 08854 USA.
[Savkliyildiz, Ilyas] Selcuk Univ, Fac Engn, Met & Mat Engn Dept, TR-42075 Konya, Turkey.
[Bicer, Hulya] Dulumpinar Univ, Dept Mat Sci & Engn, Fac Engn, TR-43100 Kutahya, Turkey.
[Zhong, Zhong] Brookhaven Natl Lab, Natl Synchrotron Light Source 1, Upton, NY 11973 USA.
RP Akdogan, EK (reprint author), Rutgers State Univ, Dept Mat Sci & Engn, Piscataway, NJ 08854 USA.
EM eka@rci.rutgers.edu
FU Office of Naval Research (ONR) [N00014-10-1-042]; U.S. Department of
Energy, Division of Material Sciences [DE-AC02-76CH00016]; U.S.
Department of Energy, Division of Chemical Sciences [DE-AC02-76CH00016]
FX The authors wish to express their gratitude for the financial support
provided by the Office of Naval Research (ONR) under Contract No.
N00014-10-1-042. The authors wish to thank Dr. Lawrence Kabacoff of the
ONR for his valuable technical feedback and support to this project.
E.K.A. thanks Dr. L. Fabris various technical discussions. This research
was carried out in part at the National Synchrotron Light Source at
Brookhaven National Laboratory, which is supported by the U.S.
Department of Energy, Division of Material Sciences and Division of
Chemical Sciences, under Contract No. DE-AC02-76CH00016.
NR 64
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U1 1
U2 1
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0884-2914
EI 2044-5326
J9 J MATER RES
JI J. Mater. Res.
PD JAN
PY 2017
VL 32
IS 2
BP 482
EP 494
DI 10.1557/jmr.2016.466
PG 13
WC Materials Science, Multidisciplinary
SC Materials Science
GA EP6DB
UT WOS:000397467200022
ER
PT J
AU Wang, YG
Neureuther, AR
Naulleau, PP
AF Wang, Yow-Gwo
Neureuther, Andrew R.
Naulleau, Patrick P.
TI Impact of noise sources and optical design on defect detection
sensitivity in extreme ultraviolet actinic pattern inspection tool
SO JOURNAL OF MICRO-NANOLITHOGRAPHY MEMS AND MOEMS
LA English
DT Article
DE extreme ultraviolet actinic pattern inspection; extreme ultraviolet mask
pattern defect; extreme ultraviolet lithography; optical design;
signal-to-noise ratio
AB We discuss the impact of various noise sources and the optical design in bright field extreme ultraviolet (EUV) actinic inspection of mask features for defects in the patterned absorber. It is shown that an optimum pixel size is needed to maximize the defect signal-to-noise ratio (SNR) to balance the trade-off in increasing signal strength with shot noise from defect signal and the background pattern intensity (mask layout image) and speckle noise from the mask blank roughness. Moreover, we consider defocus showing that the EUV mask phase effect has an asymmetric impact on pattern defect SNR's through-focus behavior. The impact of defocus limits inspection performance based on defect SNR. Using critical defect sizes in a case study, we show the defect SNR performance of the limiting case and discuss the possibility of utilizing a nominal defocus in the inspection system to leverage the phase effect of EUV mask absorber to improve the defect SNR. A 50% improvement in defect SNR is shown to be possible by introducing a -50 nm nominal defocus into the bright field inspection system. (C) 2017 Society of Photo-Optical Instrumentation Engineers (SPIE)
C1 [Wang, Yow-Gwo; Neureuther, Andrew R.] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA.
[Wang, Yow-Gwo; Neureuther, Andrew R.; Naulleau, Patrick P.] Ctr Xray Opt, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Wang, YG (reprint author), Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA.; Wang, YG (reprint author), Ctr Xray Opt, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM henrywyg@berkeley.edu
FU C-DEN (Center for Design Enable Nanofabrication); Office of Science, of
the U.S. Department of Energy [DE-AC02-05CH11231]
FX The authors would like to thank Dr. Tom Pistor for his help on this
paper. This research is sponsored by C-DEN (Center for Design Enable
Nanofabrication). Member companies ARM, ASML, Cadence, Carl Zeiss Group,
Intel, KLA-Tencor, Mentor Graphics, and Qualcomm. This work was
performed in part at Lawrence Berkeley National Laboratory, which is
operated under the auspices of the director, Office of Science, of the
U.S. Department of Energy under Contract No. DE-AC02-05CH11231.
NR 5
TC 0
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U1 0
U2 0
PU SPIE-SOC PHOTO-OPTICAL INSTRUMENTATION ENGINEERS
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA
SN 1932-5150
EI 1932-5134
J9 J MICRO-NANOLITH MEM
JI J. Micro-Nanolithogr. MEMS MOEMS
PD JAN
PY 2017
VL 16
IS 1
AR 013504
DI 10.1117/1.JMM.16.1.013504
PG 6
WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology;
Materials Science, Multidisciplinary; Optics
SC Engineering; Science & Technology - Other Topics; Materials Science;
Optics
GA EP0IK
UT WOS:000397070400005
ER
PT J
AU Anderson, BE
Pieczonka, L
Remillieux, MC
Ulrich, TJ
Le Bas, PY
AF Anderson, Brian E.
Pieczonka, Lukasz
Remillieux, Marcel C.
Ulrich, Timothy J.
Le Bas, Pierre-Yves
TI Stress corrosion crack depth investigation using the time reversed
elastic nonlinearity diagnostic
SO JOURNAL OF THE ACOUSTICAL SOCIETY OF AMERICA
LA English
DT Article
AB Evidence of the ability to probe depth information of stress corrosion cracking (SCC) are presented using the time reversed elastic nonlinearity diagnostic (TREND). Depth estimation of SCC is important to determine when a stainless steel canister has been breached. TREND is a method to focus elastic energy to a point in space in order to probe that point for damage and its' depth penetration is used here to study depth information about SCC. High frequencies are used to probe near the surface, while low frequencies are used to probe deeper into a stainless steel section of a cylinder. (C) 2017 Acoustical Society of America
C1 [Anderson, Brian E.] Brigham Young Univ, Dept Phys & Astron, Acoust Res Grp, Provo, UT 84602 USA.
[Pieczonka, Lukasz] AGH Univ Sci & Technol, Dept Robot & Mechatron, PL-30059 Krakow, Poland.
[Remillieux, Marcel C.; Ulrich, Timothy J.; Le Bas, Pierre-Yves] Los Alamos Natl Lab, Geophys Grp EES 17, MS D446, Los Alamos, NM 87545 USA.
RP Anderson, BE (reprint author), Brigham Young Univ, Dept Phys & Astron, Acoust Res Grp, Provo, UT 84602 USA.
EM bea@byu.edu; lukasz.pieczonka@agh.edu.pl; mcr1@lanl.gov; tju@lanl.gov;
pylb@lanl.gov
FU U.S. Department of Energy, Fuel Cycle R&D, Used Fuel Disposition
(Storage) Campaign; Polish National Science Center [2015/19/D/ST8/01905]
FX This work was funded by the U.S. Department of Energy, Fuel Cycle R&D,
Used Fuel Disposition (Storage) Campaign and by the Polish National
Science Center under the Grant No. 2015/19/D/ST8/01905. Significant
portions of this work were conducted while B.E.A. was employed at Los
Alamos National Laboratory.
NR 13
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U2 0
PU ACOUSTICAL SOC AMER AMER INST PHYSICS
PI MELVILLE
PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA
SN 0001-4966
EI 1520-8524
J9 J ACOUST SOC AM
JI J. Acoust. Soc. Am.
PD JAN
PY 2017
VL 141
IS 1
BP EL76
EP EL81
DI 10.1121/1.4974760
PG 6
WC Acoustics; Audiology & Speech-Language Pathology
SC Acoustics; Audiology & Speech-Language Pathology
GA EM4UP
UT WOS:000395308700014
PM 28147606
ER
PT J
AU Polyzos, AA
McMurray, CT
AF Polyzos, Aris A.
McMurray, Cynthia T.
TI The chicken or the egg: mitochondrial dysfunction as a cause or
consequence of toxicity in Huntington's disease
SO MECHANISMS OF AGEING AND DEVELOPMENT
LA English
DT Article
DE Neurodegenerative disease; Mitochondria; Metabolism; Electron transport
chain; Huntington's disease
ID TRINUCLEOTIDE REPEAT INSTABILITY; INDUCED PERMEABILITY TRANSITION;
EXPRESSING MUTANT HUNTINGTIN; CELL-CELL INTERACTIONS; COMPLEX-II
DEFECTS; KNOCK-IN MOUSE; TRANSGENIC MICE; 3-NITROPROPIONIC ACID;
ENERGY-METABOLISM; STRIATAL CELLS
AB Mitochondrial dysfunction and ensuing oxidative damage is typically thought to be a primary cause of Huntington's disease, Alzheimer's disease, and Parkinson disease. There is little doubt that mitochondria (MT) become defective as neurons die, yet whether MT defects are the primary cause or a detrimental consequence of toxicity remains unanswered. Oxygen consumption rate (OCR) and glycolysis provide sensitive and informative measures of the functional status MT and the cells metabolic regulation, yet these measures differ depending on the sample source; species, tissue type, age at measurement, and whether MT are measured in purified form or in a cell. The effects of these various parameters are difficult to quantify and not fully understood, but clearly have an impact on interpreting the bioenergetics of MT or their failure in disease states. A major goal of the review is to discuss issues and coalesce detailed information into a reference table to help in assessing mitochondrial dysfunction as a cause or consequence of Huntington's disease. Published by Elsevier Ireland Ltd.
C1 [Polyzos, Aris A.; McMurray, Cynthia T.] Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
RP McMurray, CT (reprint author), Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM aapolyzos@lbl.gov; ctmcmurray@lbl.gov
FU National Institutes of Health [NS060115, CA092584]
FX This work was supported by National Institutes of Health grants NS060115
(to CTM), and CA092584 (to CTM).
NR 122
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PU ELSEVIER IRELAND LTD
PI CLARE
PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000,
IRELAND
SN 0047-6374
J9 MECH AGEING DEV
JI Mech. Ageing Dev.
PD JAN
PY 2017
VL 161
SI SI
BP 181
EP 197
DI 10.1016/j.mad.2016.09.003
PN A
PG 17
WC Cell Biology; Geriatrics & Gerontology
SC Cell Biology; Geriatrics & Gerontology
GA EP0JQ
UT WOS:000397074000017
PM 27634555
ER
PT J
AU Walker, LR
Tfaily, MM
Shaw, JB
Hess, NJ
Pasa-Tolic, L
Koppenaal, DW
AF Walker, Lawrence R.
Tfaily, Malak M.
Shaw, Jared B.
Hess, Nancy J.
Pasa-Tolic, Ljiljana
Koppenaal, David W.
TI Unambiguous identification and discovery of bacterial siderophores by
direct injection 21 Tesla Fourier transform ion cyclotron resonance mass
spectrometry
SO METALLOMICS
LA English
DT Article
ID PLANT-GROWTH; MYCOBACTERIUM-TUBERCULOSIS; HYDROXAMATE SIDEROPHORES;
MARINE BACTERIUM; IRON; SUITE; STREPTOMYCES; EXPRESSION; ROLES; OCEAN
AB Under iron-limiting conditions, bacteria produce low molecular mass Fe(III) binding molecules known as siderophores to sequester the Fe(III), along with other elements, increasing their bioavailability. Siderophores are thought to influence iron cycling and biogeochemistry in both marine and terrestrial ecosystems and hence the need for rapid, confident characterization of these compounds has increased. In this study, the type of siderophores produced by two marine bacterial species, Synechococcus sp. PCC 7002 and Vibrio cyclitrophicus 1F53, were characterized by use of a newly developed 21 T Fourier Transform Ion Cyclotron Resonance Mass Spectrometer (FTICR MS) with direct injection electrospray ionization. This technique allowed for the rapid detection of synechobactins from Synechococcus sp. PCC 7002 as well as amphibactins from Vibrio cyclitrophicus 1F53 based on high mass accuracy and resolution allowing for observation of specific Fe isotopes and isotopic fine structure enabling highly confident identification of these siderophores. When combined with molecular network analysis two new amphibactins were discovered and verified by tandem MS. These results show that high-field FTICR MS is a powerful technique that will greatly improve the ability to rapidly identify and discover metal binding species in the environment.
C1 [Walker, Lawrence R.; Tfaily, Malak M.; Shaw, Jared B.; Hess, Nancy J.; Pasa-Tolic, Ljiljana; Koppenaal, David W.] Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA.
RP Pasa-Tolic, L; Koppenaal, DW (reprint author), Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA.
EM Ljiljana.PasaTolic@pnnl.gov; David.koppenaal@pnnl.gov
OI TFAILY, MALAK/0000-0002-3036-2833
FU Office of Biological and Environmental Research (BER)
FX We thank Drs David Wunschel of PNNL and Craig McLean and Rene Boiteau of
Woods Hole Oceanographic Institute for providing us with siderophore
samples. The vibrio strain sample originates form the collection of
Martin Polz at the Massachusetts Institute of Technology. This research
was performed at EMSL, a DOE Office of Science User Facility sponsored
by the Office of Biological and Environmental Research (BER) and located
at Pacific Northwest National Laboratory, using EMSL intramural
capability development funds.
NR 40
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U1 2
U2 2
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1756-5901
EI 1756-591X
J9 METALLOMICS
JI Metallomics
PY 2017
VL 9
IS 1
BP 82
EP 92
DI 10.1039/c6mt00201c
PG 11
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EL9NY
UT WOS:000394948300007
PM 27905613
ER
PT J
AU Chen, Y
Lai, B
Zhang, ZJ
Cohen, SM
AF Chen, Yao
Lai, Barry
Zhang, Zhenjie
Cohen, Seth M.
TI The effect of metalloprotein inhibitors on cellular metal ion content
and distribution
SO METALLOMICS
LA English
DT Article
ID RAY-FLUORESCENCE MICROSCOPY; METALLOENZYME INHIBITORS; ANTICANCER
AGENTS; OXIDATIVE STRESS; HUMAN-DISEASE; CANCER-CELLS; HOMEOSTASIS;
COPPER; SELECTIVITY; TOPOGRAPHY
AB With metalloproteins garnering increased interest as therapeutic targets, designing target-specific metalloprotein inhibitors (MPi) is of substantial importance. However, in many respects, the development and evaluation of MPi lags behind that of conventional small molecule therapeutics. Core concerns around MPi, such as target selectivity and potential disruption of metal ion homeostasis linger. Herein, we used a suite of analytical methods, including energy-dispersive X-ray spectroscopy (EDX), inductively coupled plasma atomic emission spectroscopy (ICP-OES), and synchrotron X-ray fluorescence microscopy (SXRF) to investigate the effect of several MPi on cellular metal ion distribution and homeostasis. The results reveal that at therapeutically relevant concentrations, the tested MPi have no significant effects on cellular metal ion content or distribution. In addition, the affinity of the metal-binding pharmacophore (MBP) utilized by the MPi does not have a substantial influence on the effect of the MPi on cellular metal distribution. These studies provide an important, original data set indicating that metal ion homeostasis is not notably perturbed by MPi, which should encourage the development of and aid in designing new MPi, guide MBP selection, and clarify the effect of MPi on the 'metallome'.
C1 [Chen, Yao; Zhang, Zhenjie] Nankai Univ, State Key Lab Med Chem Biol, Tianjin 300350, Peoples R China.
[Chen, Yao; Zhang, Zhenjie; Cohen, Seth M.] Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA.
[Lai, Barry] Argonne Natl Lab, X Ray Sci Div Adv Photon Source, Argonne, IL 60439 USA.
RP Chen, Y (reprint author), Nankai Univ, State Key Lab Med Chem Biol, Tianjin 300350, Peoples R China.; Chen, Y; Cohen, SM (reprint author), Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA.
EM chenyao@nankai.edu.cn; scohen@ucsd.edu
FU National Institutes of Health [R01 GM098435]; DOE Office of Science
[DE-AC02-06CH11357]
FX This study was funded by a grant from the National Institutes of Health
(R01 GM098435). This research used resources of the Advanced Photon
Source, a U.S. Department of Energy (DOE) Office of Science User
Facility operated for the DOE Office of Science by Argonne National
Laboratory under Contract No. DE-AC02-06CH11357. We greatly appreciate
the valuable suggestions offered by Prof. Christoph J. Fahrni (Georgia
Tech).
NR 39
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U2 0
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1756-5901
EI 1756-591X
J9 METALLOMICS
JI Metallomics
PY 2017
VL 9
IS 3
BP 250
EP 257
DI 10.1039/c6mt00267f
PG 8
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EP5SI
UT WOS:000397438600005
PM 28168254
ER
PT J
AU Flaud, JM
Blake, TA
Lafferty, WJ
AF Flaud, J. -M.
Blake, T. A.
Lafferty, W. J.
TI First high-resolution analysis of the (1), (3) and (1) + (3) bands of
sulphur dioxide (SO2)-S-33-O-16
SO MOLECULAR PHYSICS
LA English
DT Article
DE High-resolution infrared; 33S16O2 sulphur dioxide; molecular parameters
ID ROTATIONAL SPECTRUM; SULFUR-DIOXIDE; LINE-INTENSITIES; SO2; BANDS;
(SO2)-S-32-O-18; SPECTROSCOPY; REANALYSIS; STATES
AB HighlightsHigh-resolution spectra of (SO2)-S-33-O-16 have been recorded for the first time in the 8 and 4 mu m spectral regions.The (1), (3) and (1) + (3) bands of the (SO2)-S-33-O-16 have been analysed up to very high quantum numbers.Accurate ro-vibrational upper states constants have been determined. ABSTRACTFourier transform spectra of sulphur dioxide (SO2)-S-33-O-16 have been recorded in the 8.0 and 4.0 mu m spectral regions at a resolution of 0.0015 cm(-1) using a Bruker IFS 125HR spectrometer leading to the observation of the (1), (3) and (1) + (3) vibrational bands of the (SO2)-S-33-O-16 molecule. The corresponding upper state ro-vibrational levels were fit using a Hamiltonian matrix taking into account a Coriolis K-a = 3 resonance between the ro-vibrational levels of the 1(1) and 3(1) vibrational states and a Watson-type Hamiltonian for the ro-vibrational levels of the 1(1) 3(1) vibrational state. In this way it was possible to reproduce the upper state ro-vibrational levels to within the experimental uncertainty; i.e. approximate to 0.20 x 10(-3) cm(-1). Very accurate rotational and centrifugal distortion constants were derived from the fit together with the following band centres: (0) ((1)) = 1147.979535(60) cm(-1), (0) ((3)) = 1353.335912(60) cm(-1) and (0) ((1) + (3)) = 2487.493732(30) cm(-1).
[GRAPHICS]
C1 [Flaud, J. -M.] Univ Paris Est Creteil, UMR CNRS, Inst Pierre Simon Laplace, LISA, Creteil, France.
[Flaud, J. -M.] Univ Paris Diderot, UMR CNRS, Inst Pierre Simon Laplace, LISA, Creteil, France.
[Blake, T. A.] Pacific Northwest Natl Lab, Richland, WA USA.
[Lafferty, W. J.] NIST, Sensor Sci Div, Gaithersburg, MD 20899 USA.
RP Flaud, JM (reprint author), Univ Paris Est Creteil, UMR CNRS, Inst Pierre Simon Laplace, LISA, Creteil, France.; Flaud, JM (reprint author), Univ Paris Diderot, UMR CNRS, Inst Pierre Simon Laplace, LISA, Creteil, France.
EM jean-marie.flaud@lisa.u-pec.fr
FU PNNL's Laboratory Directed Research and Development Program
FX PNNL's Laboratory Directed Research and Development Program.
NR 23
TC 0
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U1 0
U2 0
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 0026-8976
EI 1362-3028
J9 MOL PHYS
JI Mol. Phys.
PY 2017
VL 115
IS 4
BP 447
EP 453
DI 10.1080/00268976.2016.1269966
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EM1IG
UT WOS:000395070700007
ER
PT J
AU Liu, C
Liu, J
Yao, YX
Wang, CZ
Ho, KM
AF Liu, C.
Liu, J.
Yao, Y. X.
Wang, C. Z.
Ho, K. M.
TI Sum-rule corrections: a route to error cancellations in correlation
matrix renormalisation theory
SO MOLECULAR PHYSICS
LA English
DT Article
DE Correlation matrix renormalisation; sum rule; Gutzwiller approximation
ID MEAN-FIELD THEORY; ELECTRONIC-STRUCTURE; SYSTEMS
AB We recently proposed the correlation matrix renormalisation (CMR) theory to efficiently and accurately calculate ground state total energy of molecular systems, based on the Gutzwiller variational wavefunction (GWF) to treat the electronic correlation effects. To help reduce numerical complications and better adapt the CMR to infinite lattice systems, we need to further refine the way to minimise the error originated from the approximations in the theory. This conference proceeding reports our recent progress on this key issue, namely, we obtained a simple analytical functional form for the one-electron renormalisation factors, and introduced a novel sum-rule correction for a more accurate description of the intersite electron correlations. Benchmark calculations are performed on a set of molecules to show the reasonable accuracy of the method.
C1 [Liu, C.; Liu, J.; Yao, Y. X.; Wang, C. Z.; Ho, K. M.] US DOE, Ames Lab, Ames, IA 50011 USA.
[Liu, C.; Liu, J.; Yao, Y. X.; Wang, C. Z.; Ho, K. M.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
RP Yao, YX (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA.; Yao, YX (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
EM ykent@iastate.edu
FU U.S. Department of Energy [DE-AC02-07CH11358]
FX U.S. Department of Energy [contract number DE-AC02-07CH11358].
NR 35
TC 0
Z9 0
U1 1
U2 1
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 0026-8976
EI 1362-3028
J9 MOL PHYS
JI Mol. Phys.
PY 2017
VL 115
IS 5
SI SI
BP 667
EP 673
DI 10.1080/00268976.2017.1278800
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EN0IQ
UT WOS:000395693900016
ER
PT J
AU Li, J
Foster, ME
Sohlberg, K
AF Li, Jie
Foster, Michael E.
Sohlberg, Karl
TI Density-functional based tight-binding for the study of CO2/MOF
interactions: the case of Zn(ADC)center dot DMSO
SO MOLECULAR SIMULATION
LA English
DT Article
DE Density functional based tight binding; metal-organic framework;
surface; adsorption; modelling; isotherm
ID METAL-ORGANIC FRAMEWORKS; BIOLOGICAL APPLICATIONS; WATER-ADSORPTION; CO2
ADSORPTION; CUBTC MOF; ENERGY; SITES; PARAMETRIZATION; SEPARATION;
MOLECULES
AB The adsorption of CO2 on the metal-organic framework, Zn(ADC)DMSO, is studied using density functional-based tight-binding calculations with empirical dispersion correction (DFTB-D). Validation calculations predict bulk structure parameters that are consistent with published X-ray structure data for the material. The method is further validated by showing that DFTB-D predicts surface structures and CO2 binding energies in good agreement with the results of DFT/PW91-D calculations for both Zn(ADC)DMSO and Cu(BTC)3H(2)O. A corrugated 100 surface of Zn(ADC)DMSO is proposed that avoids cleaving through any aromatic rings to form the slab when studying the surface adsorption of CO2. DFTB-D calculations of CO2/surface interactions are combined with an enhanced Langmuir-type adsorption model to investigate the adsorption efficiency of CO2 on the Zn(ADC)DMSO surface. The dependence of this adsorption on particle size and shape, and its sensitivity to errors in the predicted binding energy on the order of the anticipated accuracy of the calculated binding energies are discussed. By comparison to DFT/PW91-D calculations, we conclude that DFTB-D is a cost-effective and reliable tool to predict adsorption behaviour for MOFs of this type. Finally, it is found that for this newly synthesised ZnADC MOF to attain a specific CO2 adsorption capacity comparable to that of conventional porous MOFs, its particle size must be decreased to the nanometer level.
C1 [Li, Jie; Sohlberg, Karl] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA.
[Foster, Michael E.] Sandia Natl Labs, Livermore, CA USA.
[Sohlberg, Karl] Drexel Univ, Dept Chem, Philadelphia, PA 19104 USA.
RP Sohlberg, K (reprint author), Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA.; Sohlberg, K (reprint author), Drexel Univ, Dept Chem, Philadelphia, PA 19104 USA.
EM kws24@drexel.edu
FU Drexel Chemistry; Shanghai Advanced Research Institute (SARI)
FX This work was funded in part by a collaborative agreement between Drexel
Chemistry and the Shanghai Advanced Research Institute (SARI).
NR 36
TC 0
Z9 0
U1 1
U2 1
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 0892-7022
EI 1029-0435
J9 MOL SIMULAT
JI Mol. Simul.
PY 2017
VL 43
IS 5-6
BP 428
EP 438
DI 10.1080/08927022.2016.1277024
PG 11
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EM2EY
UT WOS:000395130400011
ER
PT J
AU Pomraning, KR
Bredeweg, EL
Baker, SE
AF Pomraning, Kyle R.
Bredeweg, Erin L.
Baker, Scott E.
TI Regulation of Nitrogen Metabolism by GATA Zinc Finger Transcription
Factors in Yarrowia lipolytica
SO MSPHERE
LA English
DT Article
DE biotechnology; carbon metabolism; lipid synthesis; metabolic regulation;
nitrogen metabolism; yeasts; Yarrowia lipolytica; nitrogen catabolite
repression; carbon catabolite repression; zinc finger; transcription
factor; GATA transcription factor; GATA; nitrogen; gene regulation;
oleaginous yeast; lipid metabolism
ID YEAST SACCHAROMYCES-CEREVISIAE; DNA-BINDING PROTEIN; CATABOLITE
REPRESSION; LIPID-ACCUMULATION; ASPERGILLUS-NIDULANS; NEUROSPORA-CRASSA;
SIDEROPHORE BIOSYNTHESIS; MUCOR-CIRCINELLOIDES; NUCLEAR-LOCALIZATION;
GENE ACTIVATION
AB Fungi accumulate lipids in a manner dependent on the quantity and quality of the nitrogen source on which they are growing. In the oleaginous yeast Yarrowia lipolytica, growth on a complex source of nitrogen enables rapid growth and limited accumulation of neutral lipids, while growth on a simple nitrogen source promotes lipid accumulation in large lipid droplets. Here we examined the roles of nitrogen catabolite repression and its regulation by GATA zinc finger transcription factors on lipid metabolism in Y. lipolytica. Deletion of the GATA transcription factor genes gzf3 and gzf2 resulted in nitrogen source-specific growth defects and greater accumulation of lipids when the cells were growing on a simple nitrogen source. Deletion of gzf1, which is most similar to activators of genes repressed by nitrogen catabolite repression in filamentous ascomycetes, did not affect growth on the nitrogen sources tested. We examined gene expression of wild-type and GATA transcription factor mutants on simple and complex nitrogen sources and found that expression of enzymes involved in malate metabolism, beta-oxidation, and ammonia utilization are strongly upregulated on a simple nitrogen source. Deletion of gzf3 results in overexpression of genes with GATAA sites in their promoters, suggesting that it acts as a repressor, while gzf2 is required for expression of ammonia utilization genes but does not grossly affect the transcription level of genes predicted to be controlled by nitrogen catabolite repression. Both GATA transcription factor mutants exhibit decreased expression of genes controlled by carbon catabolite repression via the repressor mig1, including genes for beta-oxidation, highlighting the complex interplay between regulation of carbon, nitrogen, and lipid metabolism.
IMPORTANCE Nitrogen source is commonly used to control lipid production in industrial fungi. Here we identified regulators of nitrogen catabolite repression in the oleaginous yeast Y. lipolytica to determine how the nitrogen source regulates lipid metabolism. We show that disruption of both activators and repressors of nitrogen catabolite repression leads to increased lipid accumulation via activation of carbon catabolite repression through an as yet uncharacterized method.
C1 [Pomraning, Kyle R.] Pacific Northwest Natl Lab, Energy & Environm Directorate, Richland, WA USA.
[Bredeweg, Erin L.; Baker, Scott E.] Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA.
RP Baker, SE (reprint author), Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA.
EM scott.baker@pnnl.gov
FU U.S. Department of Energy (DOE), Office of Science, Office of Biological
and Environmental Research (OBER), Genomic Science Program
[DE-SC0008744]; William Wiley postdoctoral fellowship; U.S. DOE OBER;
DOE [DE-AC05-76RLO 1830]
FX This study is based upon work supported by the U.S. Department of Energy
(DOE), Office of Science, Office of Biological and Environmental
Research (OBER), Genomic Science Program, under award DE-SC0008744.
Support was also provided by a William Wiley postdoctoral fellowship.
Part of this research was performed at the Environmental Molecular
Sciences Laboratory (EMSL), a national scientific user facility
sponsored by the U.S. DOE OBER and located at Pacific Northwest National
Laboratory (PNNL). PNNL is a multiprogram national laboratory operated
by Battelle for the DOE under contract DE-AC05-76RLO 1830.
NR 76
TC 0
Z9 0
U1 3
U2 3
PU AMER SOC MICROBIOLOGY
PI WASHINGTON
PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA
SN 2379-5042
J9 MSPHERE
JI mSphere
PD JAN
PY 2017
VL 2
IS 1
AR e00038-17
DI 10.1128/mSphere.00038-17
PG 19
WC Microbiology
SC Microbiology
GA EL3WL
UT WOS:000394549900009
ER
PT J
AU Tsoulos, TV
Han, L
Weir, J
Xin, HL
Fabris, L
AF Tsoulos, T. V.
Han, L.
Weir, J.
Xin, H. L.
Fabris, L.
TI A closer look at the physical and optical properties of gold nanostars:
an experimental and computational study
SO NANOSCALE
LA English
DT Article
ID EXTINCTION COEFFICIENT; WULFF CONSTRUCTIONS; NANOPARTICLES; RELAXATION;
EVOLUTION; NANORODS; GROWTH; SHAPES
AB A combined experimental and computational study was carried out to design a semi-empirical method to determine the volume, surface area, and extinction coefficients of gold nanostars. The values obtained were confirmed by reconstructing the nanostar 3D topography through high-tilt TEM tomography and introducing the finite elements in COMSOL Multiphysics through which we have also calculated the morphology-dependent extinction coefficient. Doing so, we have, for the first time, modeled the heat losses of a real, experimentally synthesized nanostar, and found the plasmon resonances to be in excellent agreement with those obtained experimentally. We believe that our approach could substantially improve the applicability of this remarkable nanomaterial.
C1 [Tsoulos, T. V.; Weir, J.; Fabris, L.] Rutgers State Univ, 607 Taylor Rd, Piscataway, NJ 08854 USA.
[Han, L.; Xin, H. L.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
RP Fabris, L (reprint author), Rutgers State Univ, 607 Taylor Rd, Piscataway, NJ 08854 USA.
EM lfabris@rci.rutgers.edu
OI Tsoulos, Ted/0000-0003-2531-9723
FU U.S. DOE Office of Science Facility, at the Brookhaven National
Laboratory [DE-SC0012704]; National Science Foundation [CHE-1415881]
FX This research used resources of the Center for Functional Nanomaterials,
which is a U.S. DOE Office of Science Facility, at the Brookhaven
National Laboratory under contract no. DE-SC0012704. We would like to
thank Dr Eric Stach for his help. We would like to thank Dr Deirdre
O'Carroll for the access to the Dark Field Spectroscopy experimental
setup and Ms Zeqing Shen for the training. We also acknowledge Ms Ioanna
Tsoulou for her help with the use of Rhinoceros (Rhino3d) software. This
work was funded through National Science Foundation grant no.
CHE-1415881.
NR 25
TC 0
Z9 0
U1 2
U2 2
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 2017
VL 9
IS 11
BP 3766
EP 3773
DI 10.1039/c6nr09091e
PG 8
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EP1DQ
UT WOS:000397126000010
PM 28267160
ER
PT J
AU Park, M
Ryu, J
Wang, W
Cho, J
AF Park, Minjoon
Ryu, Jaechan
Wang, Wei
Cho, Jaephil
TI Material design and engineering of next-generation flow-battery
technologies
SO NATURE REVIEWS MATERIALS
LA English
DT Review
ID HIGH-ENERGY-DENSITY; METAL-AIR BATTERIES; ORGANIC ELECTRODE MATERIALS;
DUAL-PHASE ELECTROLYTES; VANADIUM REDOX; COMPOSITE MEMBRANE; FUEL-CELL;
ELECTROCHEMICAL PROPERTIES; PHOTOELECTROCHEMICAL CELL; SEMILIQUID
BATTERY
AB Spatial separation of the electrolyte and electrode is the main characteristic of flow-battery technologies, which liberates them from the constraints of overall energy content and the energy/power ratio. The concept of a flowing electrolyte not only presents a cost-effective approach for large-scale energy storage, but has also recently been used to develop a wide range of new hybrid energy storage and conversion systems. The advent of flow-based lithium-ion, organic redox-active materials, metal-air cells and photoelectrochemical batteries promises new opportunities for advanced electrical energy-storage technologies. In this Review, we present a critical overview of recent progress in conventional aqueous redox-flow batteries and next-generation flow batteries, highlighting the latest innovative alternative materials. We outline their technical feasibility for use in long-term and large-scale electrical energy-storage devices, as well as the limitations that need to be overcome, providing our view of promising future research directions in the field of redox-flow batteries.
C1 [Park, Minjoon; Ryu, Jaechan; Cho, Jaephil] UNIST, Dept Energy Engn, Sch Energy & Chem Engn, 50 UNIST Gil, Ulsan 44919, South Korea.
[Wang, Wei] Pacific Northwest Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA.
RP Cho, J (reprint author), UNIST, Dept Energy Engn, Sch Energy & Chem Engn, 50 UNIST Gil, Ulsan 44919, South Korea.; Wang, W (reprint author), Pacific Northwest Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA.
EM wei.wang@pnnl.gov; jpcho@unist.ac.kr
FU Ulsan National Institute of Science and Technology (UNIST)
[1.160033.01]; US Department of Energy (DOE) Office of Electricity
Delivery and Energy Reliability (OE) [57558]; US DOE Office of Advanced
Research Projects Agency-Energy (ARPA-E) through [DE-AR0000686]; DOE
[DE-AC05-76RL01830]
FX This work was supported by the 2016 Research Fund (1.160033.01) of Ulsan
National Institute of Science and Technology (UNIST). W.W. acknowledges
the financial support from the US Department of Energy (DOE) Office of
Electricity Delivery and Energy Reliability (OE) under Contract No.
57558 and US DOE Office of Advanced Research Projects Agency-Energy
(ARPA-E) through Award DE-AR0000686. Pacific Northwest National
Laboratory (PNNL) is operated by Battelle for the DOE under Contract
DE-AC05-76RL01830.
NR 169
TC 0
Z9 0
U1 4
U2 4
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2058-8437
J9 NAT REV MATER
JI Nat. Rev. Mater.
PD JAN
PY 2017
VL 2
IS 1
AR 16080
DI 10.1038/natrevmats.2016.80
PG 18
WC Materials Science, Multidisciplinary
SC Materials Science
GA EO1UL
UT WOS:000396483300002
ER
PT J
AU Trahan, TJ
Larsen, EW
AF Trahan, Travis J.
Larsen, Edward W.
TI Variationally Derived Discontinuity Factors for the Asymptotic
Homogenized Diffusion Equation
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Article
DE Discontinuity factors; variational analysis; diffusion
ID APPROXIMATION
AB In this work, we derive and test variational discontinuity factors (DFs) for the asymptotic homogenized diffusion equation. We begin with a functional for optimally estimating the reactor multiplication factor, then introduce asymptotic expressions for the forward and adjoint angular fluxes, and finally require that all first-order error terms vanish. In this way, the reactor multiplication factor can be calculated with second-order error. The analysis leads to (1) an alternate derivation of the asymptotic homogenized diffusion equation, (2) variational boundary conditions for large periodic systems, and (3) variational DFs to be applied between adjacent periodic regions (e.g., fuel assemblies). Numerical tests show that applying the variational DFs to the asymptotic homogenized diffusion equation yields the most accurate estimates of the reactor multiplication factor compared to other DFs for a wide range of problems. However, the resulting assembly powers are less accurate than those obtained using other DFs for many realistic problems.
C1 [Trahan, Travis J.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[Larsen, Edward W.] Univ Michigan, Dept Nucl Engn & Radiol Sci, 2355 Bonisteel Blvd, Ann Arbor, MI 48109 USA.
RP Trahan, TJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM tjtrahan@lanl.gov
FU U.S. Department of Energy Computational Science Graduate Fellowship
[DE-FG02-97ER25308]
FX The authors would like to thank T. Saller for his extensive assistance
in the implementation of the asymptotic diffusion method into the MPACT
code. The first author was supported by a U.S. Department of Energy
Computational Science Graduate Fellowship, grant DE-FG02-97ER25308.
NR 15
TC 0
Z9 0
U1 0
U2 0
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD JAN
PY 2017
VL 185
IS 1
BP 1
EP 35
DI 10.13182/NSE16-27
PG 35
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EP2DL
UT WOS:000397193100001
ER
PT J
AU Maginot, PG
Ragusa, JC
Morel, JE
AF Maginot, Peter G.
Ragusa, Jean C.
Morel, Jim E.
TI Nonnegative Methods for Bilinear Discontinuous Differencing of the S-N
Equations on Quadrilaterals
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Article
DE Radiation transport; discontinuous finite element method; nonnegative
ID SPATIAL DISCRETIZATION; NEUTRON-TRANSPORT; CONVERGENCE; SCHEME
AB Historically, matrix lumping and ad hoc flux fixups have been the only methods used to eliminate or suppress negative angular flux solutions associated with the unlumped bilinear discontinuous (UBLD) finite element spatial discretization of the two-dimensional S-N equations. Though matrix lumping inhibits negative angular flux solutions of the S-N equations, it does not guarantee strictly positive solutions. In this paper, we develop and define a strictly nonnegative, nonlinear, Petrov-Galerkin finite element method that fully preserves the bilinear discontinuous spatial moments of the transport equation. Additionally, we define two ad hoc fixups that maintain particle balance and explicitly set negative nodes of the UBLD finite element solution to zero but use different auxiliary equations to fully define their respective solutions.
We assess the ability to inhibit negative angular flux solutions and the accuracy of every spatial discretization that we consider using a glancing void test problem with a discontinuous solution known to stress numerical methods. Though significantly more computationally intense, the nonlinear Petrov-Galerkin scheme results in a strictly nonnegative solution and is a more accurate solution than all the other methods considered. One fixup, based on shape preserving, results in a strictly nonnegative final solution but has increased numerical diffusion relative to the Petrov-Galerkin scheme and is less accurate than the UBLD solution. The second fixup, which preserves as many spatial moments as possible while setting negative values of the unlumped solution to zero, is less accurate than the Petrov-Galerkin scheme but is more accurate than the other fixup. However, it fails to guarantee a strictly nonnegative final solution. The fully lumped bilinear discontinuous finite element solution is the least accurate method, with significantly more numerical diffusion than the Petrov-Galerkin scheme and both fixups.
C1 [Maginot, Peter G.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA.
[Ragusa, Jean C.; Morel, Jim E.] Texas A&M Univ, Dept Nucl Engn, 3133 TAMU, College Stn, TX 77843 USA.
RP Maginot, PG (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA.
EM maginot1@llnl.gov
FU U.S. Department of Energy (DOE) Computational Science Graduate
Fellowship program [DE-FG02-97ER25308]; DOE [DE-AC52-07NA27344]; Center
for Exascale Radiation Transport, under DOE, National Nuclear Security
Administration [DE-NA0002376]
FX The authors wish to thank W. D. Hawkins for his invaluable and timely
assistance in implementing and testing these methods. At nonoverlapping
times, the work of P. G. Maginot was funded by the U.S. Department of
Energy (DOE) Computational Science Graduate Fellowship program,
administered by the Krell Institute, under grant DE-FG02-97ER25308, or
conducted under the auspices of DOE by Lawrence Livermore National
Laboratory under contract DE-AC52-07NA27344. The work of J. C. Ragusa
and J. E. Morel was supported in part by the Center for Exascale
Radiation Transport, under DOE, National Nuclear Security
Administration, award number DE-NA0002376.
NR 19
TC 0
Z9 0
U1 0
U2 0
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD JAN
PY 2017
VL 185
IS 1
BP 53
EP 69
DI 10.13182/NSE16-38
PG 17
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EP2DL
UT WOS:000397193100003
ER
PT J
AU Pautz, SD
Bailey, TS
AF Pautz, Shawn D.
Bailey, Teresa S.
TI Parallel Deterministic Transport Sweeps of Structured and Unstructured
Meshes with Overloaded Mesh Decompositions
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Article
DE Transport sweeps; parallel transport; domain overloading
ID ALGORITHM
AB The efficiency of discrete ordinates transport sweeps depends on the scheduling algorithm, the domain decomposition, the problem to be solved, and the computational platform. Sweep scheduling algorithms may be categorized by their approach to several issues. In this paper we examine the strategy of domain overloading for mesh partitioning as one of the components of such algorithms. In particular, we extend the domain overloading strategy, previously defined and analyzed for structured meshes, to the general case of unstructured meshes. We also present computational results for both the structured and unstructured domain overloading cases. We find that an appropriate amount of domain overloading can greatly improve the efficiency of parallel sweeps for both structured and unstructured partitionings of the test problems examined on up to 105 processor cores.
C1 [Pautz, Shawn D.] Sandia Natl Labs, POB 5800,MS 1179, Albuquerque, NM 87185 USA.
[Bailey, Teresa S.] Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA.
RP Pautz, SD (reprint author), Sandia Natl Labs, POB 5800,MS 1179, Albuquerque, NM 87185 USA.
EM sdpautz@sandia.gov
FU U.S. Department of Energy's (DOE's) National Nuclear Security
Administration [DE-AC04-94AL85000]; DOE [DE-AC52-07NA27344]
FX Work by the first author was conducted at Sandia National Laboratories
(SNL). SNL is a multiprogram laboratory operated by Sandia Corporation,
a wholly owned subsidiary of Lockheed Martin company, for the U.S.
Department of Energy's (DOE's) National Nuclear Security Administration
under contract DE-AC04-94AL85000. Work by the second author was
conducted at Lawrence Livermore National Laboratory (LLNL). This work
was performed under the auspices of the DOE by LLNL under contract
DE-AC52-07NA27344.
NR 8
TC 0
Z9 0
U1 0
U2 0
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD JAN
PY 2017
VL 185
IS 1
BP 70
EP 77
DI 10.13182/NSE16-34
PG 8
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EP2DL
UT WOS:000397193100004
ER
PT J
AU Baker, RS
AF Baker, Randal S.
TI An S-N Algorithm for Modern Architectures
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Article
DE Neutron transport; discrete ordinates; KBA method
AB Discrete ordinates transport packages from the Los Alamos National Laboratory are required to perform large computationally intensive time-dependent calculations on massively parallel architectures, where even a single such calculation may need many months to complete. While Koch-Baker-Alcouffe (KBA) methods scale well to very large numbers of compute nodes, we are limited by practical constraints on the number of such nodes we can actually apply to any given calculation. Instead, this paper describes a modified KBA algorithm that allows realization of the reductions in solution time offered by both the current and future architectural changes within a compute node.
C1 [Baker, Randal S.] Los Alamos Natl Lab, MS D409, Los Alamos, NM 87545 USA.
RP Baker, RS (reprint author), Los Alamos Natl Lab, MS D409, Los Alamos, NM 87545 USA.
EM rsb@lanl.gov
FU United States Department of Energy [DE-AC52-06NA25396]
FX Los Alamos National Laboratory is operated by Los Alamos National
Security, LLC, for the United States Department of Energy under contract
DE-AC52-06NA25396.
NR 8
TC 0
Z9 0
U1 0
U2 0
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD JAN
PY 2017
VL 185
IS 1
BP 107
EP 116
DI 10.13182/NSE15-124
PG 10
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EP2DL
UT WOS:000397193100006
ER
PT J
AU Wollaber, AB
Park, H
Lowrie, B
Rauenzahn, RM
Cleveland, MA
AF Wollaber, A. B.
Park, H.
Lowrie, B.
Rauenzahn, R. M.
Cleveland, M. A.
TI Multigroup Radiation Hydrodynamics with a High-Order-Low-Order Method
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Article
DE Radiation hydrodynamics; moment-based scale-bridging algorithm; thermal
radiative transfer
ID CONSISTENT
AB Recent efforts at Los Alamos National Laboratory to develop a moment-based, scale-bridging [or high-order (HO)-low-order (LO)] algorithm for solving large varieties of the transport (kinetic) systems have shown promising results. A part of our ongoing effort is incorporating this methodology into the framework of the Eulerian Applications Project to achieve algorithmic acceleration of radiation-hydrodynamics simulations in production software. By starting from the thermal radiative transfer equations with a simple material-motion correction, we derive a discretely consistent energy balance equation (LO equation). We demonstrate that the corresponding LO system for the Monte Carlo HO solver is closely related to the original LO system without material-motion corrections. We test the implementation on a radiative shock problem and show consistency between the energy densities and temperatures in the HO and LO solutions as well as agreement with the semianalytic solution. We also test the approach on a more challenging two-dimensional problem and demonstrate accuracy enhancements and algorithmic speedups. This paper extends a recent conference paper by including multigroup effects.
C1 [Wollaber, A. B.; Lowrie, B.; Cleveland, M. A.] Los Alamos Natl Lab, Computat Phys & Methods Grp, POB 1663,MS D409, Los Alamos, NM 87545 USA.
[Park, H.; Rauenzahn, R. M.] Los Alamos Natl Lab, Fluid Dynam & Solid Mech Grp, POB 1663,MS B216, Los Alamos, NM 87545 USA.
RP Wollaber, AB (reprint author), Los Alamos Natl Lab, Computat Phys & Methods Grp, POB 1663,MS D409, Los Alamos, NM 87545 USA.
EM wollaber@lanl.gov
FU U.S. Department of Energy [DE-AC52-06NA25396]
FX This information has been authored by employees of Los Alamos National
Security, LLC, operator of Los Alamos National Laboratory under contract
DE-AC52-06NA25396 with the U.S. Department of Energy.
NR 20
TC 0
Z9 0
U1 0
U2 0
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD JAN
PY 2017
VL 185
IS 1
BP 117
EP 129
DI 10.13182/NSE16-45
PG 13
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EP2DL
UT WOS:000397193100007
ER
PT J
AU Perfetti, CM
Rearden, BT
Marshall, WJ
AF Perfetti, Christopher M.
Rearden, Bradley T.
Marshall, William J.
TI Diagnosing Undersampling Biases in Monte Carlo Eigenvalue and Flux Tally
Estimates
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Article
DE Monte Carlo; undersampling biases; convergence metrics
AB This study focuses on understanding the phenomena in Monte Carlo simulations known as undersampling, in which Monte Carlo tally estimates may not encounter a sufficient number of particles during each generation to obtain unbiased tally estimates. Steady-state Monte Carlo simulations were performed using the KENO Monte Carlo tools within the SCALE code system for models of several burnup credit applications with varying degrees of spatial and isotopic complexities, and the incidence and impact of undersampling on eigenvalue and flux estimates were examined. Using an inadequate number of particle histories in each generation was found to produce a maximum bias of similar to 100 pcm in eigenvalue estimates and biases that exceeded 10% in fuel pin flux tally estimates. Having quantified the potential magnitude of undersampling biases in eigenvalue and flux tally estimates in these systems, this study then investigated whether Markov Chain Monte Carlo convergence metrics could be integrated into Monte Carlo simulations to predict the onset and magnitude of undersampling biases. Five potential metrics for identifying undersampling biases were implemented in the SCALE code system and evaluated for their ability to predict undersampling biases by comparing the test metric scores with the observed undersampling biases. Of the five convergence metrics that were investigated, three (the Heidelberger-Welch relative half-width, the Gelman-Rubin (R) over cap (c) diagnostic, and tally entropy) showed the potential to accurately predict the behavior of undersampling biases in the responses examined.
C1 [Perfetti, Christopher M.; Rearden, Bradley T.; Marshall, William J.] Oak Ridge Natl Lab, POB 2008,MS 6170, Oak Ridge, TN 37831 USA.
RP Perfetti, CM (reprint author), Oak Ridge Natl Lab, POB 2008,MS 6170, Oak Ridge, TN 37831 USA.
EM perfetticm@ornl.gov
FU Laboratory Directed Research and Development Program of Oak Ridge
National Laboratory; DOE [DE-AC05-00OR22725]
FX This research was sponsored by the Laboratory Directed Research and
Development Program of Oak Ridge National Laboratory, managed by
UT-Battelle, LLC, for the U.S. Department of Energy (DOE). This
manuscript has been authored by UT-Battelle LLC under contract
DE-AC05-00OR22725 with the DOE.
NR 16
TC 0
Z9 0
U1 0
U2 0
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD JAN
PY 2017
VL 185
IS 1
BP 139
EP 158
DI 10.13182/NSE16-54
PG 20
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EP2DL
UT WOS:000397193100009
ER
PT J
AU Bolding, SR
Cleveland, MA
Morel, JE
AF Bolding, Simon R.
Cleveland, Mathew A.
Morel, Jim E.
TI A High-Order Low-Order Algorithm with Exponentially Convergent Monte
Carlo for Thermal Radiative Transfer
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Article
DE Hybrid Monte Carlo; residual Monte Carlo; thermal radiative transfer
ID TRANSFER SIMULATIONS; TRANSPORT; IMPLICIT; TIME; DIFFUSION; EQUATIONS;
SCHEME
AB We have implemented a new high-order low-order (HOLO) algorithm for solving thermal radiative transfer problems. The low-order (LO) system is based on the spatial and angular moments of the transport equation and a linear-discontinuous finite-element spatial representation, producing equations similar to the standard S 2 equations. The LO solver is fully implicit in time and efficiently resolves the nonlinear temperature dependence at each time step. The high-order (HO) solver utilizes exponentially convergent Monte Carlo (ECMC) to give a globally accurate solution for the angular intensity to a fixed-source pure-absorber transport problem. This global solution is used to compute consistency terms, which require the HO and LO solutions to converge toward the same solution. The use of ECMC allows for the efficient reduction of statistical noise in the Monte Carlo solution, reducing inaccuracies introduced through the LO consistency terms. We compare results with an implicit Monte Carlo code for one-dimensional gray test problems and demonstrate the efficiency of ECMC over standard Monte Carlo in this HOLO algorithm.
C1 [Bolding, Simon R.; Morel, Jim E.] Texas A&M Univ, Dept Nucl Engn, College Stn, TX 77843 USA.
[Cleveland, Mathew A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Morel, JE (reprint author), Texas A&M Univ, Dept Nucl Engn, College Stn, TX 77843 USA.
EM morel@tamu.edu
FU U.S. Department of Energy (DOE) Office of Nuclear Energy's Nuclear
Energy University Programs; DOE National Nuclear Security Administration
[DE-NA0002376]; DOE [DE-AC52-06NA25396]
FX This research was supported with funding received from the U.S.
Department of Energy (DOE) Office of Nuclear Energy's Nuclear Energy
University Programs, the DOE National Nuclear Security Administration,
under award DE-NA0002376, and under Los Alamos National Security, LLC,
for the National Nuclear Security Administration of the DOE under
contract DE-AC52-06NA25396.
NR 19
TC 0
Z9 0
U1 0
U2 0
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD JAN
PY 2017
VL 185
IS 1
BP 159
EP 173
DI 10.13182/NSE16-36
PG 15
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EP2DL
UT WOS:000397193100010
ER
PT J
AU Ellis, M
Gaston, D
Forget, B
Smith, K
AF Ellis, Matthew
Gaston, Derek
Forget, Benoit
Smith, Kord
TI Preliminary Coupling of the Monte Carlo Code OpenMC and the Multiphysics
Object-Oriented Simulation Environment for Analyzing Doppler Feedback in
Monte Carlo Simulations
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Article
DE Multiphysics; OpenMC; Multiphysics Object-Oriented Simulation
Environment
ID DISTRIBUTIONS
AB In recent years, the use of Monte Carlo methods for modeling reactors has become feasible due to the increasing availability of massively parallel computer systems. One of the primary challenges yet to be fully resolved, however, is the efficient and accurate inclusion of multiphysics feedback in Monte Carlo simulations. The research in this paper presents a preliminary coupling of the open-source Monte Carlo code OpenMC with the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE). The coupling of OpenMC and MOOSE will be used to investigate efficient and accurate numerical methods needed to include multiphysics feedback in Monte Carlo codes. An investigation into the sensitivity of Doppler feedback to fuel temperature approximations using a two-dimensional 17 x 17 pressurized water reactor (PWR) fuel assembly is presented in this paper. The results show a functioning multiphysics coupling between OpenMC and MOOSE. The coupling utilizes functional expansion tallies to transfer accurately and efficiently pin power distributions tallied in OpenMC to unstructured finite element meshes used in MOOSE. The two-dimensional PWR fuel assembly case also demonstrates that for a simplified model, the pin-by-pin Doppler feedback can be adequately replicated by scaling a representative pin based on pin relative powers.
C1 [Ellis, Matthew; Forget, Benoit; Smith, Kord] MIT, Dept Nucl Sci & Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
[Gaston, Derek] Idaho Natl Lab, 2525 Fremont Ave, Idaho Falls, ID 83415 USA.
RP Ellis, M (reprint author), MIT, Dept Nucl Sci & Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
EM mellis13@mit.edu
FU Idaho National Laboratory under U.S. Department of Energy Idaho
Operations Office [DE-AC07-05ID14517]
FX The research work presented in this paper was supported by the Idaho
National Laboratory under U.S. Department of Energy Idaho Operations
Office contract DE-AC07-05ID14517.
NR 26
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PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD JAN
PY 2017
VL 185
IS 1
BP 184
EP 193
DI 10.13182/NSE16-26
PG 10
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EP2DL
UT WOS:000397193100012
ER
PT J
AU Chernikova, D
Pazsit, I
Favalli, A
Croft, S
AF Chernikova, Dina
Pazsit, Imre
Favalli, Andrea
Croft, Stephen
TI The Inclusion of Photofission, Photonuclear, (n, xn), (n, n ' x gamma),
and (n, x gamma) Reactions in the Neutron-Gamma Feynman-Alpha
Variance-to-Mean Formalism
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Article
DE Variance-to-mean; photofission; capture gammas
AB This paper sets up a formalism that is sufficiently general to describe the effects of photofission, photonuclear, (n, xn), (n, n' x gamma), and (n, x gamma) reactions on the neutron-gamma Feynman-alpha variance-to-mean ratios. Such a formalism is obtained using the Chapman-Kolmogorov (master) forward equation for the above-mentioned set of nuclear reactions. Thereafter, the issue of estimating reaction intensities for gammas in the master equation is highlighted by the paper. As an example, a quantitative evaluation of reaction intensities is given for a case when (n, gamma), photonuclear, and (n, 2n) reactions are relevant for the system. However, an evaluation of the influence of these types of reactions to the values of the Feynman variance-to-mean ratios is not within the scope of this paper. Overall, the results obtained in this paper are intended to give an extended systematic framework for the study of the neutron-and gamma-based nondestructive assay problems in nuclear reactor applications and materials control.
C1 [Chernikova, Dina; Pazsit, Imre] Chalmers, Dept Phys Subat & Plasma Phys, Fysikgarden 4, SE-41296 Gothenburg, Sweden.
[Favalli, Andrea] Los Alamos Natl Lab, Los Alamos, NM USA.
[Croft, Stephen] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Chernikova, D (reprint author), Chalmers, Dept Phys Subat & Plasma Phys, Fysikgarden 4, SE-41296 Gothenburg, Sweden.
EM dina.chernikova@gmail.com
FU Swedish Radiation Safety Authority (SSM); FP7 EU Collaborative Research
Project FREYA [FP7-269665]; U.S. Department of Energy, National Nuclear
Security Administration, Office of Nonproliferation and Verification
Research and Development [NA-22]
FX This work was supported by the Swedish Radiation Safety Authority (SSM)
and the FP7 EU Collaborative Research Project FREYA, grant agreement
FP7-269665. It was also sponsored in part by the U.S. Department of
Energy, National Nuclear Security Administration, Office of
Nonproliferation and Verification Research and Development (NA-22).
NR 19
TC 0
Z9 0
U1 0
U2 0
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD JAN
PY 2017
VL 185
IS 1
BP 206
EP 216
DI 10.13182/NSE16-47
PG 11
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EP2DL
UT WOS:000397193100014
ER
PT J
AU Kochunas, B
Collins, B
Stimpson, S
Salko, R
Jabaay, D
Graham, A
Liu, YX
Kim, KS
Wieselquist, W
Godfrey, A
Clarno, K
Palmtag, S
Downar, T
Gehin, J
AF Kochunas, Brendan
Collins, Benjamin
Stimpson, Shane
Salko, Robert
Jabaay, Daniel
Graham, Aaron
Liu, Yuxuan
Kim, Kang Seog
Wieselquist, William
Godfrey, Andrew
Clarno, Kevin
Palmtag, Scott
Downar, Thomas
Gehin, Jess
TI VERA Core Simulator Methodology for Pressurized Water Reactor Cycle
Depletion
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Article
DE VERA; MPACT; CASL
ID NEUTRON-TRANSPORT
AB This paper describes the methodology developed and implemented in the Virtual Environment for Reactor Applications Core Simulator (VERA-CS) to perform high-fidelity, pressurized water reactor (PWR), multicycle, core physics calculations. Depletion of the core with pin-resolved power and nuclide detail is a significant advance in the state of the art for reactor analysis, providing the level of detail necessary to address the problems of the U. S. Department of Energy Nuclear Reactor Simulation Hub, the Consortium for Advanced Simulation of Light Water Reactors (CASL). VERA-CS has three main components: the neutronics solver MPACT, the thermal-hydraulic (T-H) solver COBRA-TF (CTF), and the nuclide transmutation solver ORIGEN. This paper focuses on MPACT and provides an overview of the resonance self-shielding methods, macroscopic-cross-section calculation, two-dimensional/one-dimensional (2-D/1-D) transport, nuclide depletion, T-H feedback, and other supporting methods representing a minimal set of the capabilities needed to simulate high-fidelity models of a commercial nuclear reactor. Results are presented from the simulation of a model of the first cycle of Watts Bar Unit 1. The simulation is within 16 parts per million boron (ppmB) reactivity for all state points compared to cycle measurements, with an average reactivity bias of <5 ppmB for the entire cycle. Comparisons to cycle 1 flux map data are also provided, and the average 2-D root-mean-square (rms) error during cycle 1 is 1.07%. To demonstrate the multicycle capability, a state point at beginning of cycle (BOC) 2 was also simulated and compared to plant data. The comparison of the cycle 2 BOC state has a reactivity difference of +3 ppmB from measurement, and the 2-D rms of the comparison in the flux maps is 1.77%. These results provide confidence in VERA-CS's capability to perform high-fidelity calculations for practical PWR reactor problems.
C1 [Kochunas, Brendan; Jabaay, Daniel; Graham, Aaron; Liu, Yuxuan; Downar, Thomas] Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA.
[Collins, Benjamin; Stimpson, Shane; Salko, Robert; Kim, Kang Seog; Wieselquist, William; Godfrey, Andrew; Clarno, Kevin; Gehin, Jess] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Palmtag, Scott] Core Phys Inc, Cary, NC USA.
RP Kochunas, B (reprint author), Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA.
EM bkochuna@umich.edu
FU CASL, an Energy Innovation Hub for Modeling and Simulation of Nuclear
Reactors under DOE [DE-AC05-00OR22725]; Office of Nuclear Energy of DOE
[DE-AC07-05ID14517]; DOE [DE-AC05-00OR22725]
FX This research was supported by CASL (www.casl.gov), an Energy Innovation
Hub (http://www.energy.gov/hubs) for Modeling and Simulation of Nuclear
Reactors under DOE contract DE-AC05-00OR22725. This research made use of
the resources of the High Performance Computing Center at Idaho National
Laboratory, which is supported by the Office of Nuclear Energy of DOE
under contract DE-AC07-05ID14517. This manuscript has been authored by
UT-Battelle, LLC, under contract DE-AC05-00OR22725 with DOE.
NR 39
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U1 1
U2 1
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD JAN
PY 2017
VL 185
IS 1
BP 217
EP 231
DI 10.13182/NSE16-39
PG 15
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EP2DL
UT WOS:000397193100015
ER
PT J
AU Swinney, MW
Folden, CM
Ellis, RJ
Chirayath, SS
AF Swinney, Mathew W.
Folden, Charles M., III
Ellis, Ronald J.
Chirayath, Sunil S.
TI Experimental and Computational Forensics Characterization of
Weapons-Grade Plutonium Produced in a Fast Reactor Neutron Environment
SO NUCLEAR TECHNOLOGY
LA English
DT Article
DE Nuclear forensics; fast neutron irradiation; low burnup
AB A terrorist attack using an improvised nuclear device is one of the most serious dangers facing the United States. The work presented here is part of an effort to improve nuclear deterrence by developing a methodology to attribute weapons-grade plutonium to a source reactor by measuring the intrinsic physical characteristics of the interdicted plutonium. In order to demonstrate the developed methodology, plutonium samples were produced from depleted uranium dioxide (DUO2) surrogates irradiated in a fast-neutron environment. In order to replicate the neutron flux in a fast-neutron-spectrum reactor and obtain experimental samples emulating weapons-grade plutonium produced in the blanket of a fast breeder reactor, DUO2 samples were placed in a gadolinium sheath and irradiated in the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory. Previous computational work on this topic identified several fission products that could be used to distinguish between reactor types (fast and thermal reactors), specifically: Cs-137, Cs-134, Eu-154, Sb-125, Ce-144, Rb-85, Pm-147, and Sm-150 along with the plutonium isotopes. Simulations of the fast neutron irradiation of the DUO2 fuel surrogates in the HFIR were carried out using the Monte Carlo radiation transport code MCNPX 2.7. Comparisons of the predicted values of plutonium and fission product concentrations to destructive and nondestructive assay measurements of neutron-irradiated DUO2 surrogates are presented here. The agreement between the predictions and gamma spectroscopic measurements in general were within 10% for Cs-134, Cs-137, Eu-154, and Ce-144. Additional experimental results (mass spectroscopy) agreed to within 5% for the following isotopes: Rb-85, Pm-147, Sm-150, Eu-154, Nd-148, Ce-144, and Pu-239. Two indicator isotopes previously suggested to differentiate between the reactor types were ruled out for use in the attribution methodology; Sb-125 was ruled out due to the difficulty in accurately predicting its concentration, and Pu-242 was ruled out because of its low content in weapons-grade plutonium.
C1 [Swinney, Mathew W.; Chirayath, Sunil S.] Texas A&M Univ, Nucl Secur Sci & Policy Inst, College Stn, TX 77843 USA.
[Folden, Charles M., III] Texas A&M Univ, Inst Cyclotron, College Stn, TX 77843 USA.
[Ellis, Ronald J.] Oak Ridge Natl Lab, POB 2008 MS-6172, Oak Ridge, TN 37831 USA.
RP Chirayath, SS (reprint author), Texas A&M Univ, Nucl Secur Sci & Policy Inst, College Stn, TX 77843 USA.
EM sunilsc@tamu.edu
FU U.S. Department of Homeland Security, Domestic Nuclear Detection Office
under NSF [ECCS-1140018, DNDO-2012-DN-077-ARI1057-0203]
FX This work is supported by the U.S. Department of Homeland Security,
Domestic Nuclear Detection Office under Grant Award Number NSF Grant No.
ECCS-1140018 and DNDO-2012-DN-077-ARI1057-02&03. The views and
conclusions contained in this document are those of the authors and
should not be interpreted as necessarily representing the official
policies, either expressed or implied, of the U.S. Department of
Homeland Security.
NR 13
TC 0
Z9 0
U1 1
U2 1
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5450
EI 1943-7471
J9 NUCL TECHNOL
JI Nucl. Technol.
PD JAN
PY 2017
VL 197
IS 1
BP 1
EP 11
DI 10.13182/NT16-76
PG 11
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EP2SA
UT WOS:000397232300001
ER
PT J
AU Conant, A
Erickson, A
Robel, M
Isselhardt, B
AF Conant, Andrew
Erickson, Anna
Robel, Martin
Isselhardt, Brett
TI Sensitivity and Uncertainty Analysis of Plutonium and Cesium Isotopes in
Modeling of BR3 Reactor Spent Fuel
SO NUCLEAR TECHNOLOGY
LA English
DT Article
DE Forensics; isotope; uncertainty
ID BURNUP
AB Nuclear forensics has a broad task to characterize recovered nuclear or radiological material and interpret the results of investigation. One approach to isotopic characterization of nuclear material obtained from a reactor is to chemically separate and perform isotopic measurements on the sample and verify the results with modeling of the sample history, for example, operation of a nuclear reactor. The major actinide plutonium and fission product cesium are commonly measured signatures of the fuel history in a reactor core. This study investigates the uncertainty of the plutonium and cesium isotope ratios of a fuel rod discharged from a research pressurized water reactor when the location of the sample is not known a priori. A sensitivity analysis showed overpredicted values for the Pu-240/Pu-239 ratio toward the axial center of the rod and revealed a lower probability of the rod of interest (ROI) being on the periphery of the assembly. The uncertainty analysis found the relative errors due to only the rod position and boron concentration to be 17% to 36% and 7% to 15% for the Pu-240/Pu-239 and Cs-137/Cs-135 ratios, respectively. This study provides a method for uncertainty quantification of isotope concentrations due to the location of the ROI. Similar analyses can be performed to verify future chemical and isotopic analyses.
C1 [Conant, Andrew; Erickson, Anna] Georgia Inst Technol, Atlanta, GA 30332 USA.
[Robel, Martin; Isselhardt, Brett] Lawrence Livermore Natl Lab, Livermore, CA USA.
RP Erickson, A (reprint author), Georgia Inst Technol, Atlanta, GA 30332 USA.
EM erickson@gatech.edu
NR 26
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U1 1
U2 1
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5450
EI 1943-7471
J9 NUCL TECHNOL
JI Nucl. Technol.
PD JAN
PY 2017
VL 197
IS 1
BP 12
EP 19
DI 10.13182/NT16-88
PG 8
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EP2SA
UT WOS:000397232300002
ER
PT J
AU Bratton, RN
Jessee, MA
Wieselquist, WA
Ivanov, KN
AF Bratton, Ryan N.
Jessee, Matt A.
Wieselquist, William A.
Ivanov, Kostadin N.
TI Rod Internal Pressure Distribution and Uncertainty Analysis Using
FRAPCON
SO NUCLEAR TECHNOLOGY
LA English
DT Article
DE FRAPCON; rod internal pressure; IFBA
AB The discharge rod internal pressure (RIP) and cladding hoop stress (CHS) distributions are quantified for Watts Bar Nuclear Unit 1 (WBN1) fuel rods by modeling core cycle design data, operation data, and as-built fuel enrichments and densities of each fuel rod in FRAPCON-3.5. A methodology is developed that tracks intercycle assembly movements and assembly batch fabrication information to build individual FRAPCON inputs for each evaluated WBN1 fuel rod. An alternate model for the amount of helium released from the zirconium diboride (ZrB2) integral fuel burnable absorber (IFBA) layer is derived and applied to FRAPCON output data to quantify the RIP and CHS for these types of fuel rods. SCALE/Polaris is used to quantify fuel rod-specific spectral quantities and the amount of gaseous fission products produced in the fuel for use in FRAPCON inputs. Fuel rods with ZrB2 IFBA layers (i.e., IFBA rods) are determined to have RIP predictions that are elevated when compared to fuel rods without IFBA layers (i.e., standard rods) despite the fact that IFBA rods often have reduced fill pressures and annular fuel pellets. The primary contributor to elevated RIP predictions at burnups less than and greater than 30 GWd/tonne U is determined to be the total fuel rod void volume and the amount of released fission gas in the fuel rod, respectively. Cumulative distribution functions (CDFs) are prepared from the distribution of RIP and CHS predictions for all standard and IFBA rods. The provided CDFs allow for the determination of the portion of WBN1 fuel rods that exceeds a specified RIP or CHS limit. Results are separated into IFBA and standard rods so that the two groups may be analyzed individually. FRAPCON results are provided in sufficient detail to enable the recalculation of the RIP while considering any desired plenum gas temperature, total void volume, or total amount of gas present in the void volume. A method to predict the CHS from a determined or assumed RIP is also proposed that is based on the approximately linear relationship between the CHS and the RIP. Finally, improvements to the computational methodology of FRAPCON are proposed.
C1 [Bratton, Ryan N.] Penn State Univ, State Coll, PA 16801 USA.
[Jessee, Matt A.; Wieselquist, William A.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Ivanov, Kostadin N.] North Carolina State Univ, Raleigh, NC USA.
RP Bratton, RN (reprint author), Penn State Univ, State Coll, PA 16801 USA.
EM rnb145@psu.edu
FU Graduate Opportunities Program at Oak Ridge National Laboratory as a
part of the U.S. Department of Energy (DOE) Office of Nuclear Energy
Fuel Cycle Technologies Used Fuel Disposition Campaign; CASL, an Energy
Innovation Hub for Modeling and Simulation of Nuclear Reactors under DOE
[DE-AC05-00OR22725]; Office of Science of DOE [DE-AC05-00OR22725]; DOE
[DE-AC05-00OR22725]
FX This research was supported by the Graduate Opportunities Program at Oak
Ridge National Laboratory as a part of the U.S. Department of Energy
(DOE) Office of Nuclear Energy Fuel Cycle Technologies Used Fuel
Disposition Campaign. This work would not have been possible without the
generous contributions of information from the TVA, the Westinghouse
Electric Company, and the VERA benchmarking of WBN1 performed by CASL,
which is developing and applying advanced modeling and simulation
capabilities to help address nuclear industry challenges. This research
was supported by CASL (www.casl.gov), an Energy Innovation Hub
(http://www.energy.gov/hubs) for Modeling and Simulation of Nuclear
Reactors under DOE contract DE-AC05-00OR22725. This research used
resources of the Oak Ridge Leadership Computing Facility at the Oak
Ridge National Laboratory, which is supported by the Office of Science
of DOE under contract DE-AC05-00OR22725. This manuscript has been
authored by the Oak Ridge National Laboratory, managed by UT-Battelle
LLC under contract DE-AC05-00OR22725 with DOE.
NR 13
TC 0
Z9 0
U1 0
U2 0
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5450
EI 1943-7471
J9 NUCL TECHNOL
JI Nucl. Technol.
PD JAN
PY 2017
VL 197
IS 1
BP 47
EP 63
DI 10.13182/NT16-75
PG 17
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EP2SA
UT WOS:000397232300005
ER
PT J
AU Yang, CY
Sengupta, S
Hegde, PM
Mitra, J
Jiang, S
Holey, B
Sarker, AH
Tsai, MS
Hegde, ML
Mitra, S
AF Yang, Chunying
Sengupta, Shiladitya
Hegde, Pavana M.
Mitra, Joy
Jiang, Shuai
Holey, Brooke
Sarker, Altaf H.
Tsai, Miaw-Sheue
Hegde, Muralidhar L.
Mitra, Sankar
TI Regulation of oxidized base damage repair by chromatin assembly factor 1
subunit A
SO NUCLEIC ACIDS RESEARCH
LA English
DT Article
ID EXCISION DNA-REPAIR; HUMAN-CELLS; MAMMALIAN-CELLS; IN-VIVO; REPLICATION
PROTEINS; GLYCOSYLASE NEIL1; OXIDATIVE DAMAGE; STRAND BREAKS; HUMAN
GENOME; PATHWAY
AB Reactive oxygen species (ROS), generated both endogenously and in response to exogenous stress, induce point mutations by mis-replication of oxidized bases and other lesions in the genome. Repair of these lesions via base excision repair (BER) pathway maintains genomic fidelity. Regulation of the BER pathway for mutagenic oxidized bases, initiated by NEIL1 and other DNA glycosylases at the chromatin level remains unexplored. Whether single nucleotide (SN)-BER of a damaged base requires histone deposition or nucleosome remodeling is unknown, unlike nucleosome reassembly which is shown to be required for other DNA repair processes. Here we showthat chromatin assembly factor (CAF)-1 subunit A (CHAF1A), the p150 subunit of the histone H3/ H4 chaperone, and its partner anti-silencing function protein 1A (ASF1A), which we identified in human NEIL1 immunoprecipitation complex, transiently dissociate from chromatin bound NEIL1 complex in G1 cells after induction of oxidative base damage. CHAF1A inhibits NEIL1 initiated repair in vitro. Subsequent restoration of the chaperone-BER complex in cell, presumably after completion of repair, suggests that histone chaperones sequester the repair complex for oxidized bases in non-replicating chromatin, and allow repair when oxidized bases are induced in the genome.
C1 [Yang, Chunying; Sengupta, Shiladitya; Hegde, Pavana M.; Mitra, Joy; Hegde, Muralidhar L.; Mitra, Sankar] Houston Methodist Res Inst, Dept Radiat Oncol, Houston, TX 77030 USA.
[Sengupta, Shiladitya; Hegde, Muralidhar L.; Mitra, Sankar] Cornell Univ, Weill Cornell Med Coll, New York, NY 10065 USA.
[Jiang, Shuai; Holey, Brooke; Sarker, Altaf H.; Tsai, Miaw-Sheue] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA.
[Hegde, Muralidhar L.] Houston Methodist Neurol Inst, Houston, TX 77030 USA.
RP Yang, CY; Sengupta, S; Mitra, S (reprint author), Houston Methodist Res Inst, Dept Radiat Oncol, Houston, TX 77030 USA.; Sengupta, S; Mitra, S (reprint author), Cornell Univ, Weill Cornell Med Coll, New York, NY 10065 USA.
EM cyang@houstonmethodist.org; sxsengupta@houstonmethodist.org;
smitra2@houstonmethodist.org
FU National institutes of Health (NIH) [GM105090, CA158910, NS088645,
CA92854]; NIH [R01 CA158910, R01 GM105090, R01 NS088645, P01 CA92854]
FX National institutes of Health (NIH) [GM105090, CA158910, NS088645 and
CA92854]; NIH [R01 CA158910 to S.M., R01 GM105090 to S.M., R01 NS088645
to M.L.H., P01 CA92854 to M.-S.T. and S.M.]. Funding for open access
charge: NIH.
NR 54
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U1 0
U2 0
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0305-1048
EI 1362-4962
J9 NUCLEIC ACIDS RES
JI Nucleic Acids Res.
PD JAN
PY 2017
VL 45
IS 2
BP 739
EP 748
DI 10.1093/nar/gkw1024
PG 10
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EO3DY
UT WOS:000396576300024
PM 27794043
ER
PT J
AU Berti, E
Adriani, O
Bonechi, L
Bongi, M
Castellini, G
D'Alessandro, R
Haguenauer, M
Itow, Y
Iwata, Y
Kasahara, K
Makino, Y
Masuda, K
Matsubayashi, E
Menjo, H
Muraki, Y
Papini, P
Ricciarini, S
Sako, T
Suzuki, T
Tamura, T
Tiberio, A
Torii, S
Tricomi, A
Turner, WC
Ueno, M
Zhou, QD
AF Berti, E.
Adriani, O.
Bonechi, L.
Bongi, M.
Castellini, G.
D'Alessandro, R.
Haguenauer, M.
Itow, Y.
Iwata, Y.
Kasahara, K.
Makino, Y.
Masuda, K.
Matsubayashi, E.
Menjo, H.
Muraki, Y.
Papini, P.
Ricciarini, S.
Sako, T.
Suzuki, T.
Tamura, T.
Tiberio, A.
Torii, S.
Tricomi, A.
Turner, W. C.
Ueno, M.
Zhou, Q. D.
TI The LHCf experiment: Forward particles production spectra at LHC
SO NUOVO CIMENTO C-COLLOQUIA AND COMMUNICATIONS IN PHYSICS
LA English
DT Article
ID COLLISIONS
AB The LHC forward ( LHCf) experiment consists of two small sampling calorimeters installed in the LHC tunnel at +/- 140 from IP1, so that it can detect neutral particles produced by p-ion collisions in the very forward region (pseudorapidity eta > 8.4). The main aim of LHCf is to provide precise measurements of the particles produced in high-energy p-p and p-Pb collisions in order to tune hadronic interaction models used by ground-based cosmic rays experiments. In this paper we will discuss the present status of the LHCf experiment, the collected data and measurements done, as well as future prospects.
C1 [Berti, E.; Adriani, O.; Bonechi, L.; Bongi, M.; Castellini, G.; D'Alessandro, R.; Papini, P.; Ricciarini, S.; Tiberio, A.] INFN, Sect Florence, Florence, Italy.
[Berti, E.; Adriani, O.; Bongi, M.; D'Alessandro, R.; Tiberio, A.] Univ Florence, Florence, Italy.
[Castellini, G.; Ricciarini, S.] IFAC CNR, Florence, Italy.
[Haguenauer, M.] Ecole Polytech, Palaiseau, France.
[Itow, Y.; Makino, Y.; Masuda, K.; Matsubayashi, E.; Muraki, Y.; Sako, T.; Ueno, M.; Zhou, Q. D.] Inst Space Earth Environm Res, Chikusa Ku, Nagoya, Aichi, Japan.
[Itow, Y.; Sako, T.] Nagoya Univ, Origin Particles & Univ, Kobayashi Maskawa Inst, Nagoya, Aichi, Japan.
[Iwata, Y.; Kasahara, K.; Suzuki, T.; Torii, S.] Waseda Univ, RISE, Tokyo, Japan.
[Menjo, H.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi, Japan.
CERN, Geneva, Switzerland.
[Tamura, T.] Kanagawa Univ, Kanagawa, Japan.
[Tricomi, A.] INFN, Sect Catania, Catania, Italy.
[Tricomi, A.] Univ Catania, Catania, Italy.
[Turner, W. C.] LBNL, Berkeley, CA USA.
RP Berti, E (reprint author), INFN, Sect Florence, Florence, Italy.; Berti, E (reprint author), Univ Florence, Florence, Italy.
EM eugenio.berti@fi.infn.it
NR 12
TC 0
Z9 0
U1 0
U2 0
PU SOC ITALIANA FISICA
PI BOLOGNA
PA VIA SARAGOZZA, 12, I-40123 BOLOGNA, ITALY
SN 2037-4909
EI 1826-9885
J9 NUOVO CIM C-COLLOQ C
JI Nuovo Cim. C-Colloq. Commun. Phys.
PD JAN-FEB
PY 2017
VL 40
IS 1
AR 13
DI 10.1393/ncc/i2017-17013-x
PG 4
WC Physics, Multidisciplinary
SC Physics
GA EP4DF
UT WOS:000397330100012
ER
PT J
AU Bottino, B
Aalseth, CE
Acconcia, G
Acerbi, F
Agnes, P
Agostino, L
Albuquerque, IFM
Alexander, T
Alton, A
Ampudia, P
Ardito, R
Arisaka, K
Arnquist, IJ
Asner, DM
Back, HO
Baldin, B
Batignani, G
Biery, K
Bisogni, MG
Bocci, V
Bondar, A
Bonfini, G
Bonivento, W
Bossa, M
Brigatti, A
Brodsky, J
Budano, F
Bunker, R
Bussino, S
Buttafava, M
Buzulutskov, A
Cadeddu, M
Cadoni, M
Calandri, N
Calaprice, F
Calvo, J
Campajola, L
Canci, N
Candela, A
Cantini, C
Cao, H
Caravati, M
Cariello, M
Carlini, M
Carpinelli, M
Castellani, A
Catalanotti, S
Cavalcante, P
Chepurnov, A
Cicalo, C
Citterio, M
Cocco, AG
Corgiolu, S
Covone, G
Crivelli, P
D'Angelo, D
D'Incecco, M
Daniel, M
Davini, S
De Cecco, S
De Deo, M
De Guido, G
De Vincenzi, M
Demontis, P
Derbin, A
Devoto, A
Di Eusanio, F
Di Pietro, G
Dionisi, C
Dolgov, A
Dromia, I
Dussoni, S
Edkins, E
Empl, A
Fan, A
Ferri, A
Filip, CO
Fiorillo, G
Fomenko, K
Forster, G
Franco, D
Froudakis, GE
Gabriele, F
Gabrieli, A
Galbiati, C
Gendotti, A
Ghioni, M
Ghisi, A
Giagu, S
Gibertoni, G
Giganti, C
Giorgi, M
Giovannetti, GK
Gligan, ML
Gola, A
Goretti, A
Granato, F
Grassi, M
Grate, JW
Gromov, M
Guan, M
Guardincerri, Y
Gulinatti, A
Haaland, RK
Hackett, B
Harrop, B
Herner, K
Hoppe, EW
Horikawa, S
Hungerford, E
Ianni, A
Ianni, A
Ivashchuk, O
James, I
Johnson, TN
Jollet, C
Keeter, K
Kendziora, C
Kobychev, V
Koh, G
Korablev, D
Korga, G
Kubankin, A
Kuss, MW
Lissia, M
Li, X
Lodi, GU
Lombardi, P
Longo, G
Loverre, P
Luitz, S
Lussana, R
Luzzi, L
Ma, Y
Machado, AA
Machulin, I
Mais, L
Mandarano, A
Mapelli, L
Marcante, M
Mari, S
Mariani, M
Maricic, J
Marinelli, M
Marini, L
Martoff, CJ
Mascia, M
Meregaglia, A
Meyers, PD
Miletic, T
Milincic, R
Miller, JD
Moioli, S
Monasterio, S
Montanari, D
Monte, A
Montuschi, M
Monzani, ME
Morrocchi, M
Mosteiro, P
Mount, B
Mu, W
Muratova, VN
Murphy, S
Musico, P
Napolitano, J
Nelson, A
Nosov, V
Nurakhov, NN
Odrowski, S
Oleinik, A
Orsini, M
Ortica, F
Pagani, L
Pallavicini, M
Palmas, S
Pantic, E
Paoloni, E
Parmeggiano, S
Paternoster, G
Pazzona, F
Pelczar, K
Pellegrini, LA
Pelliccia, N
Perasso, S
Peronio, P
Perotti, F
Perruzza, R
Piemonte, C
Pilo, F
Pocar, A
Pordes, S
Pugachev, D
Qian, H
Radics, B
Randle, K
Ranucci, G
Razeti, M
Razeto, A
Rech, I
Regazzoni, V
Regenfus, C
Reinhold, B
Renshaw, A
Rescigno, M
Ricotti, M
Riffard, Q
Rizzardini, S
Romani, A
Romero, L
Rossi, B
Rossi, N
Rountree, D
Rubbia, A
Ruggeri, A
Sablone, D
Saggese, P
Salatino, P
Salemme, L
Sands, W
Sangiorgio, S
Sant, M
Santorelli, R
Sanzaro, M
Savarese, C
Sechi, E
Segreto, E
Semenov, D
Shchagin, A
Shekhtman, L
Shemyakina, E
Shields, E
Simeone, M
Singh, PN
Skorokhvatov, M
Smallcomb, M
Smirnov, O
Sokolov, A
Sotnikov, A
Stanford, C
Suffritti, GB
Suvorov, Y
Tamborini, D
Tartaglia, R
Tatarowicz, J
Testera, G
Tonazzo, A
Tosi, A
Trinchese, P
Unzhakov, E
Vacca, A
Verducci, M
Viant, T
Villa, F
Vishneva, A
Vogelaar, B
Wada, M
Walker, S
Wang, H
Wang, Y
Watson, A
Westerdale, S
Wilhelmi, J
Wojcik, M
Wu, S
Xiang, X
Xu, J
Yang, C
Yoo, J
Zappa, F
Zappala, G
Zavatarelli, S
Zec, A
Zhong, W
Zhu, C
Zullo, A
Zullo, M
Zuzel, G
AF Bottino, B.
Aalseth, C. E.
Acconcia, G.
Acerbi, F.
Agnes, P.
Agostino, L.
Albuquerque, I. F. M.
Alexander, T.
Alton, A.
Ampudia, P.
Ardito, R.
Arisaka, K.
Arnquist, I. J.
Asner, D. M.
Back, H. O.
Baldin, B.
Batignani, G.
Biery, K.
Bisogni, M. G.
Bocci, V.
Bondar, A.
Bonfini, G.
Bonivento, W.
Bossa, M.
Brigatti, A.
Brodsky, J.
Budano, F.
Bunker, R.
Bussino, S.
Buttafava, M.
Buzulutskov, A.
Cadeddu, M.
Cadoni, M.
Calandri, N.
Calaprice, F.
Calvo, J.
Campajola, L.
Canci, N.
Candela, A.
Cantini, C.
Cao, H.
Caravati, M.
Cariello, M.
Carlini, M.
Carpinelli, M.
Castellani, A.
Catalanotti, S.
Cavalcante, P.
Chepurnov, A.
Cicalo, C.
Citterio, M.
Cocco, A. G.
Corgiolu, S.
Covone, G.
Crivelli, P.
D'Angelo, D.
D'Incecco, M.
Daniel, M.
Davini, S.
De Cecco, S.
De Deo, M.
De Guido, G.
De Vincenzi, M.
Demontis, P.
Derbin, A.
Devoto, A.
Di Eusanio, F.
Di Pietro, G.
Dionisi, C.
Dolgov, A.
Dromia, I.
Dussoni, S.
Edkins, E.
Empl, A.
Fan, A.
Ferri, A.
Filip, C. O.
Fiorillo, G.
Fomenko, K.
Forster, G.
Franco, D.
Froudakis, G. E.
Gabriele, F.
Gabrieli, A.
Galbiati, C.
Gendotti, A.
Ghioni, M.
Ghisi, A.
Giagu, S.
Gibertoni, G.
Giganti, C.
Giorgi, M.
Giovannetti, G. K.
Gligan, M. L.
Gola, A.
Goretti, A.
Granato, F.
Grassi, M.
Grate, J. W.
Gromov, M.
Guan, M.
Guardincerri, Y.
Gulinatti, A.
Haaland, R. K.
Hackett, B.
Harrop, B.
Herner, K.
Hoppe, E. W.
Horikawa, S.
Hungerford, E.
Ianni, Al.
Ianni, An.
Ivashchuk, O.
James, I.
Johnson, T. N.
Jollet, C.
Keeter, K.
Kendziora, C.
Kobychev, V.
Koh, G.
Korablev, D.
Korga, G.
Kubankin, A.
Kuss, M. W.
Lissia, M.
Li, X.
Lodi, G. U.
Lombardi, P.
Longo, G.
Loverre, P.
Luitz, S.
Lussana, R.
Luzzi, L.
Ma, Y.
Machado, A. A.
Machulin, I.
Mais, L.
Mandarano, A.
Mapelli, L.
Marcante, M.
Mari, S.
Mariani, M.
Maricic, J.
Marinelli, M.
Marini, L.
Martoff, C. J.
Mascia, M.
Meregaglia, A.
Meyers, P. D.
Miletic, T.
Milincic, R.
Miller, J. D.
Moioli, S.
Monasterio, S.
Montanari, D.
Monte, A.
Montuschi, M.
Monzani, M. E.
Morrocchi, M.
Mosteiro, P.
Mount, B.
Mu, W.
Muratova, V. N.
Murphy, S.
Musico, P.
Napolitano, J.
Nelson, A.
Nosov, V.
Nurakhov, N. N.
Odrowski, S.
Oleinik, A.
Orsini, M.
Ortica, F.
Pagani, L.
Pallavicini, M.
Palmas, S.
Pantic, E.
Paoloni, E.
Parmeggiano, S.
Paternoster, G.
Pazzona, F.
Pelczar, K.
Pellegrini, L. A.
Pelliccia, N.
Perasso, S.
Peronio, P.
Perotti, F.
Perruzza, R.
Piemonte, C.
Pilo, F.
Pocar, A.
Pordes, S.
Pugachev, D.
Qian, H.
Radics, B.
Randle, K.
Ranucci, G.
Razeti, M.
Razeto, A.
Rech, I.
Regazzoni, V.
Regenfus, C.
Reinhold, B.
Renshaw, A.
Rescigno, M.
Ricotti, M.
Riffard, Q.
Rizzardini, S.
Romani, A.
Romero, L.
Rossi, B.
Rossi, N.
Rountree, D.
Rubbia, A.
Ruggeri, A.
Sablone, D.
Saggese, P.
Salatino, P.
Salemme, L.
Sands, W.
Sangiorgio, S.
Sant, M.
Santorelli, R.
Sanzaro, M.
Savarese, C.
Sechi, E.
Segreto, E.
Semenov, D.
Shchagin, A.
Shekhtman, L.
Shemyakina, E.
Shields, E.
Simeone, M.
Singh, P. N.
Skorokhvatov, M.
Smallcomb, M.
Smirnov, O.
Sokolov, A.
Sotnikov, A.
Stanford, C.
Suffritti, G. B.
Suvorov, Y.
Tamborini, D.
Tartaglia, R.
Tatarowicz, J.
Testera, G.
Tonazzo, A.
Tosi, A.
Trinchese, P.
Unzhakov, E.
Vacca, A.
Verducci, M.
Viant, T.
Villa, F.
Vishneva, A.
Vogelaar, B.
Wada, M.
Walker, S.
Wang, H.
Wang, Y.
Watson, A.
Westerdale, S.
Wilhelmi, J.
Wojcik, M.
Wu, S.
Xiang, X.
Xu, J.
Yang, C.
Yoo, J.
Zappa, F.
Zappala, G.
Zavatarelli, S.
Zec, A.
Zhong, W.
Zhu, C.
Zullo, A.
Zullo, M.
Zuzel, G.
TI The DarkSide experiment
SO NUOVO CIMENTO C-COLLOQUIA AND COMMUNICATIONS IN PHYSICS
LA English
DT Article
AB DarkSide is a dark matter direct search experiment at Laboratori Nazionali del Gran Sasso (LNGS). DarkSide is based on the detection of rare nuclear recoils possibly induced by hypothetical dark matter particles, which are supposed to be neutral, massive (m > 10 GeV) and weakly interactive (WIMP). The dark matter detector is a two-phase time projection chamber (TPC) filled with ultra-pure liquid argon. The TPC is placed inside a muon and a neutron active vetoes to suppress the background. Using argon as active target has many advantages, the key features are the strong discriminant power between nuclear and electron recoils, the spatial reconstruction and easy scalability to multi-tons size. At the moment DarkSide-50 is filled with ultra-pure argon, extracted from underground sources, and from April 2015 it is taking data in its final configuration. When combined with the preceding search with an atmospheric argon target, it is possible to set a 90% CL upper limit on the WIMP-nucleon spin-independent cross section of 2.0x10(-44) cm(2) for a WIMP mass of 100 GeV/c(2). The next phase of the experiment, DarkSide-20k, will be the construction of a new detector with an active mass of similar to 20 tons.
C1 [Agnes, P.; Franco, D.; Perasso, S.; Riffard, Q.; Tonazzo, A.] Univ Paris Diderot, APC, Sorbonne Paris Cite, F-75205 Paris, France.
[Bossa, M.; Davini, S.; Mandarano, A.; Savarese, C.] Gran Sasso Sci Inst, I-67100 Laquila, Italy.
[Bonfini, G.; Canci, N.; Candela, A.; Carlini, M.; Cavalcante, P.; D'Incecco, M.; De Deo, M.; Di Pietro, G.; Gabriele, F.; Galbiati, C.; Giovannetti, G. K.; Goretti, A.; Ianni, Al.; Ianni, An.; Korga, G.; Machado, A. A.; Mandarano, A.; Montuschi, M.; Odrowski, S.; Orsini, M.; Perruzza, R.; Razeto, A.; Rossi, N.; Sablone, D.; Savarese, C.; Suvorov, Y.; Tartaglia, R.] Lab Nazl Gran Sasso, I-67010 Assergi, AQ, Italy.
[Alton, A.; Smallcomb, M.] Augustana Coll, Dept Phys & Astron, Sioux Falls, SD 57197 USA.
[Ivashchuk, O.; Kubankin, A.; Oleinik, A.; Shchagin, A.] Belgorod Natl Res Univ, Radiat Phys Lab, Belgorod 308007, Russia.
[Keeter, K.; Mount, B.] Black Hills State Univ, Sch Nat Sci, Spearfish, SD 57799 USA.
[Bondar, A.; Buzulutskov, A.; Nosov, V.; Shekhtman, L.; Shemyakina, E.] RAS, Budker Inst Nucl Phys, SB, Novosibirsk 630090, Russia.
[Ampudia, P.; Bonivento, W.; Cadeddu, M.; Cadoni, M.; Caravati, M.; Carpinelli, M.; Cicalo, C.; Corgiolu, S.; Demontis, P.; Devoto, A.; Gabrieli, A.; Lissia, M.; Mais, L.; Mascia, M.; Monasterio, S.; Palmas, S.; Pazzona, F.; Razeti, M.; Rizzardini, S.; Sant, M.; Sechi, E.; Suffritti, G. B.; Vacca, A.] INFN, Sez Cagliari, I-09042 Cagliari, Italy.
[Machado, A. A.; Segreto, E.] Univ Estadual Campinas, Inst Phys Gleb Wataghin, BR-13083859 Sao Paulo, Brazil.
[Ampudia, P.; Corgiolu, S.; Mais, L.; Mascia, M.; Monasterio, S.; Palmas, S.; Rizzardini, S.; Sechi, E.; Vacca, A.] Univ Cagliari, Dept Chem, I-09042 Cagliari, Italy.
[Cadeddu, M.; Cadoni, M.; Caravati, M.; Devoto, A.] Univ Cagliari, Dept Phys, I-09042 Cagliari, Italy.
Univ Chicago, Kavli Inst, Enr Fermi Inst, Chicago, IL 60637 USA.
Univ Chicago, Kavli Inst, Dept Phys, Chicago, IL 60637 USA.
[Daniel, M.; Romero, L.; Santorelli, R.] CIEMAT, E-28040 Madrid, Spain.
[Filip, C. O.; Gligan, M. L.] I NCD TIM, Cluj Napoca 400293, Romania.
[Johnson, T. N.; Pantic, E.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA.
[Fomenko, K.; Korablev, D.; Smirnov, O.; Sotnikov, A.; Vishneva, A.] Joint Inst Nucl Res, Dubna 141980, Russia.
[Calvo, J.; Cantini, C.; Crivelli, P.; Gendotti, A.; Horikawa, S.; Mu, W.; Murphy, S.; Radics, B.; Regenfus, C.; Rubbia, A.; Viant, T.; Wu, S.] ETH, Swiss Fed Inst Technol, CH-8092 Zurich, Switzerland.
[Acerbi, F.; Ferri, A.; Gola, A.; Marcante, M.; Paternoster, G.; Piemonte, C.; Zappala, G.] Fdn Bruno Kessler, I-38122 Trento, Italy.
[Alexander, T.; Baldin, B.; Biery, K.; Forster, G.; Guardincerri, Y.; Herner, K.; Kendziora, C.; Montanari, D.; Pordes, S.; Yoo, J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
[Haaland, R. K.] Ft Lewis Coll, Durango, CO 81301 USA.
[Bottino, B.; Cariello, M.; Marinelli, M.; Marini, L.; Musico, P.; Pagani, L.; Pallavicini, M.; Testera, G.; Zavatarelli, S.] INFN, Sez Genova, I-16146 Genoa, Italy.
[Bottino, B.; Marinelli, M.; Marini, L.; Pagani, L.; Pallavicini, M.] Univ Genoa, Dept Phys, I-16146 Genoa, Italy.
[Edkins, E.; Hackett, B.; Maricic, J.; Milincic, R.; Reinhold, B.] Univ Hawaii, Dept Phys & Astron, Honolulu, HI 96822 USA.
[Canci, N.; Empl, A.; Hungerford, E.; Korga, G.; Miller, J. D.; Renshaw, A.; Singh, P. N.] Univ Houston, Dept Phys, Houston, TX 77204 USA.
[Guan, M.; Ma, Y.; Wang, Y.; Yang, C.; Zhong, W.] Inst High Energy Phys, Beijing 100049, Peoples R China.
[Jollet, C.; Meregaglia, A.] Univ Strasbourg, CNRS, IPHC, IN2P3, F-67037 Strasbourg, France.
[Kobychev, V.] Natl Acad Sci Ukraine, Inst Nucl Res, UA-03680 Kiev, Ukraine.
[Pelczar, K.; Zuzel, G.] Jagiellonian Univ, Smoluchowski Inst Phys, PL-30059 Krakow, Poland.
[Machulin, I.; Nurakhov, N. N.; Pugachev, D.; Skorokhvatov, M.; Sokolov, A.] Natl Res Ctr, Kurchatov Inst, Moscow 123182, Russia.
[Sangiorgio, S.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
[Agostino, L.; De Cecco, S.; Giganti, C.] Univ Paris 06, Univ Paris Diderot, LPNHE Paris, CNRS IN2P3, F-75252 Paris, France.
[Ianni, Al.] Lab Subterraneo Canfranc, Canfranc Estacion 22880, Spain.
[Machulin, I.; Pugachev, D.; Skorokhvatov, M.; Sokolov, A.] Natl Res Nucl Univ Moscow, Inst Engn Phys, Moscow 115409, Russia.
[Acconcia, G.; Ardito, R.; Brigatti, A.; Buttafava, M.; Calandri, N.; Castellani, A.; Citterio, M.; D'Angelo, D.; De Guido, G.; Di Pietro, G.; Dromia, I.; Ghioni, M.; Ghisi, A.; Gibertoni, G.; Gulinatti, A.; Lodi, G. U.; Lombardi, P.; Lussana, R.; Luzzi, L.; Mariani, M.; Moioli, S.; Parmeggiano, S.; Pellegrini, L. A.; Peronio, P.; Perotti, F.; Ranucci, G.; Rech, I.; Ricotti, M.; Ruggeri, A.; Saggese, P.; Sanzaro, M.; Tamborini, D.; Tosi, A.; Villa, F.; Zappa, F.] INFN, Sez Milano, I-20133 Milan, Italy.
[De Guido, G.; Dromia, I.; Gibertoni, G.; Lodi, G. U.; Moioli, S.; Pellegrini, L. A.] Politecn Milan, Chem Mat & Chem Engn Dept, I-20133 Milan, Italy.
[Acconcia, G.; Buttafava, M.; Calandri, N.; De Guido, G.; Dromia, I.; Ghioni, M.; Gibertoni, G.; Gulinatti, A.; Lodi, G. U.; Lussana, R.; Luzzi, L.; Mariani, M.; Moioli, S.; Pellegrini, L. A.; Peronio, P.; Rech, I.; Ricotti, M.; Ruggeri, A.; Sanzaro, M.; Tamborini, D.; Tosi, A.; Villa, F.; Zappa, F.] INFN, I-20133 Milan, Italy.
[Luzzi, L.; Mariani, M.; Ricotti, M.] Politecn Milan, Dept Energy, I-20133 Milan, Italy.
[Acconcia, G.; Buttafava, M.; Calandri, N.; Ghioni, M.; Gulinatti, A.; Lussana, R.; Peronio, P.; Rech, I.; Ruggeri, A.; Sanzaro, M.; Tamborini, D.; Tosi, A.; Villa, F.; Zappa, F.] Politecn Milan, Elect Informat & Bioengn Dept, I-20133 Milan, Italy.
[Ardito, R.; Ghisi, A.; Perotti, F.] Politecn Milan, Civil & Environm Engn Dept, I-20133 Milan, Italy.
[D'Angelo, D.] Univ Milan, Dept Phys, I-20133 Milan, Italy.
[Chepurnov, A.; Gromov, M.] Lomonosov Moscow State Univ, Skobeltsyn Inst Nucl Phys, Moscow 119991, Russia.
[Campajola, L.; Catalanotti, S.; Cocco, A. G.; Covone, G.; Fiorillo, G.; Longo, G.; Rossi, B.; Salatino, P.; Salemme, L.; Simeone, M.; Walker, S.] INFN, Sez Napoli, I-80126 Naples, Italy.
[Salatino, P.; Salemme, L.; Simeone, M.] Univ Naples Federico II, Dept Chem, I-80126 Naples, Italy.
[Campajola, L.; Catalanotti, S.; Covone, G.; Fiorillo, G.; Longo, G.; Trinchese, P.; Walker, S.] Univ Naples Federico II, Dept Phys, I-80126 Naples, Italy.
[Bondar, A.; Buzulutskov, A.; Dolgov, A.; Nosov, V.; Shekhtman, L.; Shemyakina, E.] Novosibirsk State Univ, Novosibirsk 630090, Russia.
[Derbin, A.; Muratova, V. N.; Semenov, D.; Unzhakov, E.] St Petersburg Nucl Phys Inst, Gatchina 188350, Russia.
[Ortica, F.; Pelliccia, N.; Romani, A.] INFN, Sez Perugia, I-06123 Perugia, Italy.
[Ortica, F.; Pelliccia, N.; Romani, A.] Univ Perugia, Chem Biol & Biotechnol Dept, I-06123 Perugia, Italy.
[Batignani, G.; Bisogni, M. G.; Dussoni, S.; Giorgi, M.; Grassi, M.; Kuss, M. W.; Morrocchi, M.; Paoloni, E.; Pilo, F.] INFN, Sez Pisa, I-56127 Pisa, Italy.
[Batignani, G.; Bisogni, M. G.; Dussoni, S.; Giorgi, M.; Morrocchi, M.; Paoloni, E.] Univ Pisa, Dept Phys, I-56126 Pisa, Italy.
[Aalseth, C. E.; Arnquist, I. J.; Asner, D. M.; Back, H. O.; Bunker, R.; Grate, J. W.; Hoppe, E. W.] Pacific Northwest Natl Lab, Richland, WA 99352 USA.
[Albuquerque, I. F. M.; Brodsky, J.; Calaprice, F.; Cao, H.; Di Eusanio, F.; Galbiati, C.; Giovannetti, G. K.; Harrop, B.; Ianni, An.; Koh, G.; Li, X.; Mapelli, L.; Meyers, P. D.; Mosteiro, P.; Nelson, A.; Qian, H.; Randle, K.; Razeto, A.; Rossi, B.; Sands, W.; Shields, E.; Stanford, C.; Wada, M.; Westerdale, S.; Xiang, X.; Xu, J.; Zhu, C.] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA.
[Budano, F.; Bussino, S.; De Vincenzi, M.; James, I.; Mari, S.] INFN, Sez Roma Tre, I-00146 Rome, Italy.
[Budano, F.; Bussino, S.; De Vincenzi, M.; James, I.; Mari, S.] Univ Rome Tre, Dept Math & Phys, I-00146 Rome, Italy.
[Bocci, V.; Dionisi, C.; Giagu, S.; Loverre, P.; Rescigno, M.; Verducci, M.; Zullo, A.; Zullo, M.] INFN, Sez Roma Uno, I-00185 Rome, Italy.
[Dionisi, C.; Giagu, S.; Loverre, P.; Verducci, M.] Univ Rome, I-00185 Rome, Italy.
[Luitz, S.; Monzani, M. E.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
[Carpinelli, M.; Demontis, P.; Gabrieli, A.; Pazzona, F.; Sant, M.; Suffritti, G. B.] Univ Sassari, Dept Chem & Pharm, I-07100 Sassari, Italy.
[Demontis, P.; Suffritti, G. B.] Univ Sassari, Consorzio Interuniv Nazl Sci & Tecnolo Mat INSTM, I-07100 Sassari, Italy.
[Granato, F.; Martoff, C. J.; Miletic, T.; Napolitano, J.; Tatarowicz, J.; Watson, A.; Wilhelmi, J.] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA.
[Acerbi, F.; Ferri, A.; Gola, A.; Marcante, M.; Paternoster, G.; Piemonte, C.; Regazzoni, V.; Zappala, G.] INFN, TIFPA, I-38123 Trento, Italy.
[Arisaka, K.; Fan, A.; Renshaw, A.; Suvorov, Y.; Wang, H.; Wang, Y.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA.
[Alexander, T.; Forster, G.; Monte, A.; Pocar, A.; Zec, A.] Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA.
[Froudakis, G. E.] Univ Crete, Rethimnon 74100, Greece.
[Albuquerque, I. F. M.] Univ Sao Paulo, Inst Fis, BR-05508090 Sao Paulo, Brazil.
[Rountree, D.; Vogelaar, B.] Virginia Tech, Dept Phys, Blacksburg, VA 24061 USA.
RP Bottino, B (reprint author), INFN, Sez Genova, I-16146 Genoa, Italy.; Bottino, B (reprint author), Univ Genoa, Dept Phys, I-16146 Genoa, Italy.
RI Ortica, Fausto/C-1001-2013; Romani, Aldo/G-8103-2012;
OI Ortica, Fausto/0000-0001-8276-452X; Romani, Aldo/0000-0002-7338-0097;
Canci, Nicola/0000-0002-4797-4297
NR 6
TC 0
Z9 0
U1 3
U2 3
PU SOC ITALIANA FISICA
PI BOLOGNA
PA VIA SARAGOZZA, 12, I-40123 BOLOGNA, ITALY
SN 2037-4909
EI 1826-9885
J9 NUOVO CIM C-COLLOQ C
JI Nuovo Cim. C-Colloq. Commun. Phys.
PD JAN-FEB
PY 2017
VL 40
IS 1
AR 52
DI 10.1393/ncc/i2017-17052-3
PG 8
WC Physics, Multidisciplinary
SC Physics
GA EP4DF
UT WOS:000397330100047
ER
PT J
AU Copello, S
Alduino, C
Alfonso, K
Artusa, DR
Avignone, FT
Azzolini, O
Banks, TI
Bari, G
Beeman, JW
Bellini, F
Bersani, A
Biassoni, M
Brofferio, C
Bucci, C
Camacho, A
Caminata, A
Canonica, L
Cao, XG
Capelli, S
Cappelli, L
Carbone, L
Cardani, L
Carniti, P
Casali, N
Cassina, L
Chiesa, D
Chott, N
Clemenza, M
Cosmelli, C
Cremonesi, O
Creswick, RJ
Cushman, JS
D'addabbo, A
Dafinei, I
Davis, CJ
Dell'Oro, S
Deninno, MM
Di Domizio, S
Di Vacri, ML
Drobizhev, A
Fang, DQ
Faverzani, M
Feintzeig, J
Fernandes, G
Ferri, E
Ferroni, F
Fiorini, E
Franceschi, MA
Freedman, SJ
Fujikawa, BK
Giachero, A
Gironi, L
Giuliani, A
Gladstone, L
Gorla, P
Gotti, C
Gutierrez, TD
Haller, EE
Han, K
Hansen, E
Heeger, KM
Hennings-Yeomans, R
Hickerson, KP
Huang, HZ
Kadel, R
Keppel, G
Kolomensky, YG
Leder, A
Ligi, C
Lim, KE
Liu, X
Ma, YG
Maino, M
Marini, L
Martinez, M
Maruyama, RH
Mei, Y
Moggi, N
Morganti, S
Mosteiro, PJ
Napolitano, T
Nones, C
Norman, EB
Nucciotti, A
O'Donnell, T
Orio, F
Ouellet, JL
Pagliarone, CE
Pallavicini, M
Palmieri, V
Pattavina, L
Pavan, M
Pessina, G
Pettinacci, V
Piperno, G
Pira, C
Pirro, S
Pozzi, S
Previtali, E
Rosenfeld, C
Rusconi, C
Sangiorgio, S
Santone, D
Scielzo, ND
Singh, V
Sisti, M
Smith, AR
Taffarello, L
Tenconi, M
Terranova, F
Tomei, C
Trentalange, S
Vignati, M
Wagaarachchi, SL
Wang, BS
Wang, HW
Wilson, J
Winslow, LA
Wise, T
Woodcraft, A
Zanotti, L
Zhang, GQ
Zhu, BX
Zimmermann, S
Zucchelli, S
AF Copello, S.
Alduino, C.
Alfonso, K.
Artusa, D. R.
Avignone, F. T., III
Azzolini, O.
Banks, T. I.
Bari, G.
Beeman, J. W.
Bellini, F.
Bersani, A.
Biassoni, M.
Brofferio, C.
Bucci, C.
Camacho, A.
Caminata, A.
Canonica, L.
Cao, X. G.
Capelli, S.
Cappelli, L.
Carbone, L.
Cardani, L.
Carniti, P.
Casali, N.
Cassina, L.
Chiesa, D.
Chott, N.
Clemenza, M.
Cosmelli, C.
Cremonesi, O.
Creswick, R. J.
Cushman, J. S.
D'addabbo, A.
Dafinei, I.
Davis, C. J.
Dell'Oro, S.
Deninno, M. M.
Di Domizio, S.
Di Vacri, M. L.
Drobizhev, A.
Fang, D. Q.
Faverzani, M.
Feintzeig, J.
Fernandes, G.
Ferri, E.
Ferroni, F.
Fiorini, E.
Franceschi, M. A.
Freedman, S. J.
Fujikawa, B. K.
Giachero, A.
Gironi, L.
Giuliani, A.
Gladstone, L.
Gorla, P.
Gotti, C.
Gutierrez, T. D.
Haller, E. E.
Han, K.
Hansen, E.
Heeger, K. M.
Hennings-Yeomans, R.
Hickerson, K. P.
Huang, H. Z.
Kadel, R.
Keppel, G.
Kolomensky, Yu. G.
Leder, A.
Ligi, C.
Lim, K. E.
Liu, X.
Ma, Y. G.
Maino, M.
Marini, L.
Martinez, M.
Maruyama, R. H.
Mei, Y.
Moggi, N.
Morganti, S.
Mosteiro, P. J.
Napolitano, T.
Nones, C.
Norman, E. B.
Nucciotti, A.
O'Donnell, T.
Orio, F.
Ouellet, J. L.
Pagliarone, C. E.
Pallavicini, M.
Palmieri, V.
Pattavina, L.
Pavan, M.
Pessina, G.
Pettinacci, V.
Piperno, G.
Pira, C.
Pirro, S.
Pozzi, S.
Previtali, E.
Rosenfeld, C.
Rusconi, C.
Sangiorgio, S.
Santone, D.
Scielzo, N. D.
Singh, V.
Sisti, M.
Smith, A. R.
Taffarello, L.
Tenconi, M.
Terranova, F.
Tomei, C.
Trentalange, S.
Vignati, M.
Wagaarachchi, S. L.
Wang, B. S.
Wang, H. W.
Wilson, J.
Winslow, L. A.
Wise, T.
Woodcraft, A.
Zanotti, L.
Zhang, G. Q.
Zhu, B. X.
Zimmermann, S.
Zucchelli, S.
TI CUORE and CUORE-0 experiments
SO NUOVO CIMENTO C-COLLOQUIA AND COMMUNICATIONS IN PHYSICS
LA English
DT Article
AB Neutrino oscillation experiments proved that neutrinos have mass and this enhanced the interest in neutrinoless double-beta decay (0v beta beta). The observation of this very rare hypothetical decay would prove the leptonic number violation and would give us indications about neutrinos mass hierarchy and absolute mass scale. CUORE (Cryogenic Underground Observatory for Rare Events) is an array of 988 crystals of TeO2, for a total sensitive mass of 741 kg. Its goal is the observation of 0v beta beta of Te-130. The crystals, placed into the a dilution cryostat, are operated as bolometers at a temperature close to 10 mK. CUORE commissioning phase has been concluded recently in Gran Sasso National Laboratory, Italy, and data taking is expected to start in spring 2017. If target background rate is reached (0.01counts/day/keV/kg), the sensibility of CUORE will be, in five years of data taking, T-1/2 similar or equal to 10(26) years (1 sigma CL). In order to test the quality of materials and optimize the construction procedures, the collaboration realized CUORE-0, that took data from spring of 2013 to summer 2015. Here, after a brief description of CUORE, I report its commissioning status and CUORE-0 results.
C1 [Alduino, C.; Artusa, D. R.; Avignone, F. T., III; Chott, N.; Creswick, R. J.; Rosenfeld, C.; Wilson, J.] Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA.
[Alfonso, K.; Hansen, E.; Hickerson, K. P.; Huang, H. Z.; Liu, X.; Sangiorgio, S.; Zhu, B. X.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA.
[Artusa, D. R.; Bucci, C.; Canonica, L.; Cappelli, L.; D'addabbo, A.; Dell'Oro, S.; Di Vacri, M. L.; Gorla, P.; Pagliarone, C. E.; Pattavina, L.; Pirro, S.; Santone, D.] Ist Nazl Fis Nucl, Lab Nazionali Gran Sasso, I-67010 Laquila, Italy.
[Azzolini, O.; Camacho, A.; Keppel, G.; Palmieri, V.; Pira, C.] Ist Nazl Fis Nucl, Lab Nazl Legnaro, I-35020 Legnaro, Italy.
[Banks, T. I.; Drobizhev, A.; Freedman, S. J.; Hennings-Yeomans, R.; Kolomensky, Yu. G.; O'Donnell, T.; Ouellet, J. L.; Singh, V.; Wagaarachchi, S. L.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Banks, T. I.; Drobizhev, A.; Feintzeig, J.; Freedman, S. J.; Fujikawa, B. K.; Hennings-Yeomans, R.; Kolomensky, Yu. G.; Mei, Y.; O'Donnell, T.; Ouellet, J. L.; Smith, A. R.; Wagaarachchi, S. L.] Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA.
[Bari, G.; Deninno, M. M.; Moggi, N.; Zucchelli, S.] Ist Nazl Fis Nucl, Sezione Bologna, I-40127 Bologna, Italy.
[Beeman, J. W.; Haller, E. E.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Bellini, F.; Cardani, L.; Casali, N.; Cosmelli, C.; Ferroni, F.; Martinez, M.; Piperno, G.] Univ Rome, Dipartimento Fis, I-00185 Rome, Italy.
[Bellini, F.; Cardani, L.; Casali, N.; Cosmelli, C.; Dafinei, I.; Ferroni, F.; Martinez, M.; Morganti, S.; Mosteiro, P. J.; Orio, F.; Pettinacci, V.; Piperno, G.; Tomei, C.; Vignati, M.] Ist Nazl Fis Nucl, Sezione Roma, I-00185 Rome, Italy.
[Copello, S.; Bersani, A.; Caminata, A.; Cappelli, L.; Di Domizio, S.; Fernandes, G.; Marini, L.; Pallavicini, M.] Ist Nazl Fis Nucl, Sezione Genova, Via Dodecaneso 33, I-16146 Genoa, Italy.
[Biassoni, M.; Brofferio, C.; Capelli, S.; Carniti, P.; Cassina, L.; Chiesa, D.; Clemenza, M.; Faverzani, M.; Ferri, E.; Fiorini, E.; Gotti, C.; Maino, M.; Nucciotti, A.; Pavan, M.; Pozzi, S.; Sisti, M.; Terranova, F.; Zanotti, L.] Univ Milano Bicocca, Dipartimento Fis, I-20126 Milan, Italy.
[Biassoni, M.; Brofferio, C.; Capelli, S.; Carbone, L.; Carniti, P.; Cassina, L.; Chiesa, D.; Clemenza, M.; Cremonesi, O.; Faverzani, M.; Ferri, E.; Fiorini, E.; Giachero, A.; Gironi, L.; Gotti, C.; Maino, M.; Nucciotti, A.; Pavan, M.; Pessina, G.; Pozzi, S.; Previtali, E.; Rusconi, C.; Sisti, M.; Terranova, F.; Zanotti, L.] Ist Nazl Fis Nucl, Sezione Milano Bicocca, I-20126 Milan, Italy.
[Cao, X. G.; Fang, D. Q.; Ma, Y. G.; Wang, H. W.; Zhang, G. Q.] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
[Cappelli, L.; Pagliarone, C. E.] Univ Cassino, Dipartimento Ingn Civile & Meccanica, I-03043 Cassino, Italy.
[Copello, S.; Di Domizio, S.; Fernandes, G.; Marini, L.; Pallavicini, M.] Univ Genoa, Dipartimento Fis, Via Dodecaneso 33, I-16146 Genoa, Italy.
[Cushman, J. S.; Davis, C. J.; Han, K.; Heeger, K. M.; Lim, K. E.; Maruyama, R. H.] Yale Univ, Dept Phys, New Haven, CT 06520 USA.
[Dell'Oro, S.] Ist Nazl Fis Nucl, Gran Sasso Sci Inst, I-67100 Laquila, Italy.
[Di Vacri, M. L.; Santone, D.] Univ Aquila, Dipartimento Sci Fis & Chim, I-67100 Laquila, Italy.
[Franceschi, M. A.; Ligi, C.; Napolitano, T.] Ist Nazl Fis Nucl, Lab Nazl Frascati, POB 13, I-00044 Frascati, Italy.
[Giuliani, A.; Tenconi, M.] Univ Paris 11, Univ Paris Saclay, CNRS, IN2P3, F-91405 Orsay, France.
[Gladstone, L.; Hansen, E.; Leder, A.; Ouellet, J. L.; Winslow, L. A.] MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
[Gutierrez, T. D.] Calif Polytech State Univ San Luis Obispo, Dept Phys, San Luis Obispo, CA 93407 USA.
[Haller, E. E.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Han, K.] Shanghai Jiao Tong Univ, Dept Phys & Astron, Shanghai 200240, Peoples R China.
[Kadel, R.; Kolomensky, Yu. G.] Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA.
[Martinez, M.] Univ Zaragoza, Lab Fis Nucl & Astroparticulas, E-50009 Zaragoza, Spain.
[Moggi, N.] Univ Bologna, Alma Mater Studiorum, Dipartimento Sci Qual Vita, I-47921 Bologna, Italy.
[Nones, C.] CEA Saclay, Serv Phys Particules, F-91191 Gif Sur Yvette, France.
[Norman, E. B.; Sangiorgio, S.; Scielzo, N. D.; Wang, B. S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Norman, E. B.; Wang, B. S.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA.
[Taffarello, L.] Ist Nazl Fis Nucl, Sezione Padova, I-35131 Padua, Italy.
[Wise, T.] Univ Wisconsin, Dept Phys, 1150 Univ Ave, Madison, WI 53706 USA.
[Woodcraft, A.] Univ Edinburgh, Inst Astron, SUPA, blackford hill, Edinburgh EH9 3HJ, Midlothian, Scotland.
[Zimmermann, S.] Lawrence Berkeley Natl Lab, Div Engn, Berkeley, CA 94720 USA.
[Zucchelli, S.] Univ Bologna, Alma Mater Studiorum, Dipartimento Fis & Astron, I-40127 Bologna, Italy.
RP Copello, S (reprint author), Ist Nazl Fis Nucl, Sezione Genova, Via Dodecaneso 33, I-16146 Genoa, Italy.
OI D'Addabbo, Antonio/0000-0003-2668-962X
NR 3
TC 0
Z9 0
U1 0
U2 0
PU SOC ITALIANA FISICA
PI BOLOGNA
PA VIA SARAGOZZA, 12, I-40123 BOLOGNA, ITALY
SN 2037-4909
EI 1826-9885
J9 NUOVO CIM C-COLLOQ C
JI Nuovo Cim. C-Colloq. Commun. Phys.
PD JAN-FEB
PY 2017
VL 40
IS 1
AR 60
DI 10.1393/ncc/i2017-17060-3
PG 5
WC Physics, Multidisciplinary
SC Physics
GA EP4DF
UT WOS:000397330100054
ER
PT J
AU Aksenov, VL
Tyutyunnikov, SI
Shalyapin, VN
Belyaev, AD
Artemiev, AN
Artemiev, NA
Kirillov, BF
Kovalchiuk, MV
Demkiv, AA
Knyazev, GA
AF Aksenov, V. L.
Tyutyunnikov, S. I.
Shalyapin, V. N.
Belyaev, A. D.
Artemiev, A. N.
Artemiev, N. A.
Kirillov, B. F.
Kovalchiuk, M. V.
Demkiv, A. A.
Knyazev, G. A.
TI Multifunctional Synchrotron Spectrometer of the National Research Center
"Kurchatov Institute": I. EXAFS in Dispersive Mode
SO PHYSICS OF PARTICLES AND NUCLEI LETTERS
LA English
DT Article
DE synchrotron radiation; X-ray spectrometer; dispersive EXAFS spectrometer
ID RADIATION; STATION
AB The improved X-ray optical scheme, the system of registration, and the measurement procedure of the multifunctional synchrotron radiation spectrometer in the dispersive EXAFS mode are described. The results of the spectrometer energy resolution measurements are given. The advantages and disadvantages of traditional and dispersive EXAFS spectrometers are analyzed. Examples of EXAFS spectra measured in the dispersive mode are given.
C1 [Aksenov, V. L.] Kurchatov Inst, Petersburg Nucl Phys Inst, Natl Res Ctr, Gatchina 188300, Russia.
[Aksenov, V. L.; Tyutyunnikov, S. I.; Shalyapin, V. N.] Joint Inst Nucl Res, Dubna 141980, Russia.
[Belyaev, A. D.; Artemiev, A. N.; Kirillov, B. F.; Kovalchiuk, M. V.; Demkiv, A. A.; Knyazev, G. A.] Kurchatov Inst, Natl Res Ctr, Moscow 123098, Russia.
[Artemiev, N. A.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Kovalchiuk, M. V.] St Petersburg State Univ, St Petersburg 199034, Russia.
RP Shalyapin, VN (reprint author), Joint Inst Nucl Res, Dubna 141980, Russia.
EM shal@sunse.jinr.ru
FU Ministry of Education and Science of the Russian Federation
[14.619.21.0002, RFMEFI61914X0002]
FX The measurements were performed using the equipment of the National
Research Center "Kurchatov Institute" partly financially supported by
the Ministry of Education and Science of the Russian Federation
Agreement of August 15, 2014 no. 14.619.21.0002 (project no.
RFMEFI61914X0002).
NR 9
TC 0
Z9 0
U1 0
U2 0
PU PLEIADES PUBLISHING INC
PI MOSCOW
PA PLEIADES PUBLISHING INC, MOSCOW, 00000, RUSSIA
SN 1547-4771
EI 1531-8567
J9 PHYS PART NUCLEI LET
JI Phys. Part. Nuclei Lett.
PD JAN
PY 2017
VL 14
IS 1
BP 123
EP 131
DI 10.1134/S1547477117010022
PG 9
WC Physics, Particles & Fields
SC Physics
GA EO1CG
UT WOS:000396434600013
ER
PT J
AU Stepanenko, YY
Kurilin, AS
Podolsky, SV
AF Stepanenko, Yu. Yu.
Kurilin, A. S.
Podolsky, S. V.
TI Increase in the Detection Efficiency for the K-L(0) -> pi(VV)-V-0 Decay
in the E391 experiment
SO PHYSICS OF PARTICLES AND NUCLEI LETTERS
LA English
DT Article
AB One of the main aims of the.391 experiment data analysis is to attain the calculated level of the setup sensitivity to the rare K-L(0) -> pi(VV)-V-0 decay. To this end, we have performed a repeated analysis of the collected data, which has resulted in a 65% increase in sensitivity when compared to the standard E391 data analysis. In this work we present the main concept of the data re-analysis that has allowed an increase in the E391 setup sensitivity and describe in general the methods used.
C1 [Stepanenko, Yu. Yu.; Kurilin, A. S.] Joint Nucl Res Inst, Dubna 141980, Moscow Oblast, Russia.
[Stepanenko, Yu. Yu.] Gomel State Univ, Gomel 246019, Byelarus.
[Podolsky, S. V.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Stepanenko, YY (reprint author), Joint Nucl Res Inst, Dubna 141980, Moscow Oblast, Russia.; Stepanenko, YY (reprint author), Gomel State Univ, Gomel 246019, Byelarus.
EM yystepanenko@gmail.com
NR 9
TC 0
Z9 0
U1 0
U2 0
PU PLEIADES PUBLISHING INC
PI MOSCOW
PA PLEIADES PUBLISHING INC, MOSCOW, 00000, RUSSIA
SN 1547-4771
EI 1531-8567
J9 PHYS PART NUCLEI LET
JI Phys. Part. Nuclei Lett.
PD JAN
PY 2017
VL 14
IS 1
BP 168
EP 174
DI 10.1134/S154747711606008X
PG 7
WC Physics, Particles & Fields
SC Physics
GA EO1CG
UT WOS:000396434600019
ER
PT J
AU Tartaglio, V
Rennie, EA
Cahoon, R
Wang, G
Baidoo, E
Mortimer, JC
Cahoon, EB
Scheller, HV
AF Tartaglio, Virginia
Rennie, Emilie A.
Cahoon, Rebecca
Wang, George
Baidoo, Edward
Mortimer, Jennifer C.
Cahoon, Edgar B.
Scheller, Henrik V.
TI Glycosylation of inositol phosphorylceramide sphingolipids is required
for normal growth and reproduction in Arabidopsis
SO PLANT JOURNAL
LA English
DT Article
DE glycosyl inositol phosphorylceramides; glucuronosyltransferase; IPUT1;
sphingolipid; pollen tube growth; Arabidopsis thaliana
ID PROGRAMMED CELL-DEATH; DETERGENT-RESISTANT MEMBRANES; TANDEM
MASS-SPECTROMETRY; POLLEN-TUBE GUIDANCE; F-SP LYCOPERSICI;
SALICYLIC-ACID; SERINE PALMITOYLTRANSFERASE; PLANT SPHINGOLIPIDS;
DISEASE RESISTANCE; FUMONISIN B-1
AB Sphingolipids are a major component of plant plasma membranes and endomembranes, and mediate a diverse range of biological processes. Study of the highly glycosylated glycosyl inositol phosphorylceramide (GIPC) sphingolipids has been slow as a result of challenges associated with the extractability of GIPCs, and their functions in the plant remain poorly characterized. We recently discovered an Arabidopsis GIPC glucuronosyltransferase, INOSITOL PHOSPHORYLCERAMIDE GLUCURONOSYLTRANSFERASE 1 (IPUT1), which is the first enzyme in the GIPC glycosylation pathway. Plants homozygous for the iput1 loss-of-function mutation were unobtainable, and so the developmental effects of reduced GIPC glucuronosylation could not be analyzed in planta. Using a pollen-specific rescue construct, we have here isolated homozygous iput1 mutants. The iput1 mutants show severe dwarfism, compromised pollen tube guidance, and constitutive activation of salicyclic acid-mediated defense pathways. The mutants also possess reduced GIPCs, increased ceramides, and an increased incorporation of short-chain fatty acids and dihydroxylated bases into inositol phosphorylceramides and GIPCs. The assignment of a direct role for GIPC glycan head groups in the impaired processes in iput1 mutants is complicated by the vast compensatory changes in the sphingolipidome; however, our results reveal that the glycosylation steps of GIPC biosynthesis are important regulated components of sphingolipid metabolism. This study corroborates previously suggested roles for GIPC glycans in plant growth and defense, suggests important roles for them in reproduction and demonstrates that the entire sphingolipidome is sensitive to their status.
C1 [Tartaglio, Virginia; Rennie, Emilie A.; Wang, George; Baidoo, Edward; Mortimer, Jennifer C.; Scheller, Henrik V.] Joint BioEnergy Inst, Emeryville, CA 94608 USA.
[Tartaglio, Virginia; Rennie, Emilie A.; Wang, George; Baidoo, Edward; Mortimer, Jennifer C.; Scheller, Henrik V.] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA.
[Rennie, Emilie A.; Cahoon, Rebecca; Cahoon, Edgar B.] Univ Nebraska, Ctr Plant Sci Innovat, Lincoln, NE 68588 USA.
[Rennie, Emilie A.; Cahoon, Rebecca; Cahoon, Edgar B.] Univ Nebraska, Dept Biochem, Lincoln, NE 68588 USA.
[Scheller, Henrik V.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.
RP Scheller, HV (reprint author), Joint BioEnergy Inst, Emeryville, CA 94608 USA.; Scheller, HV (reprint author), Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA.; Scheller, HV (reprint author), Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.
EM hscheller@lbl.gov
OI Mortimer, Jenny/0000-0001-6624-636X
FU U.S.Department of Energy, Office of Science, Office of Biological and
Environmental Research [DE-AC02-05CH11231]; National Science Foundation
[MCB-1158500]; Life Sciences Research Foundation fellowship from the
Gordon and Betty Moore Foundation
FX This work was part of the DOE Joint BioEnergy Institute (http://
www.jbei.org) supported by the U.S.Department of Energy, Office of
Science, Office of Biological and Environmental Research, through
contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory
and the U.S.Department of Energy, and by the National Science Foundation
(MCB-1158500 to E.B.C.).E.A.R.was supported by a Life Sciences Research
Foundation fellowship from the Gordon and Betty Moore Foundation.We
thank Dr Mi Yeon Lee for assistance with plant maintenance.The authors
have no conflicts of interest to declare.
NR 87
TC 0
Z9 0
U1 4
U2 4
PU WILEY
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0960-7412
EI 1365-313X
J9 PLANT J
JI Plant J.
PD JAN
PY 2017
VL 89
IS 2
BP 278
EP 290
DI 10.1111/tpj.13382
PG 13
WC Plant Sciences
SC Plant Sciences
GA EN2AB
UT WOS:000395810600008
PM 27643972
ER
PT B
AU Menon, NC
Kruizenga, AM
Alvine, KJ
San Marchi, C
Nissen, A
Brooks, K
AF Menon, Nalini C.
Kruizenga, Alan M.
Alvine, Kyle J.
San Marchi, Chris
Nissen, April
Brooks, Kriston
BE Ren, W
Zhu, XK
Duncan, A
TI BEHAVIOUR OF POLYMERS IN HIGH PRESSURE ENVIRONMENTS AS APPLICABLE TO THE
HYDROGEN INFRASTRUCTURE
SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE, 2016,
VOL 6B
LA English
DT Proceedings Paper
CT ASME Pressure Vessels and Piping Conference
CY JUL 17-21, 2016
CL Vancouver, CANADA
SP ASME, Pressure Vessels & Pip Div
DE Polymers; high pressure hydrogen environment; hydrogen infrastructure;
FCVs; pressure gradients; test methodologies; polymer properties
AB Polymeric materials have played a significant role in the adoption of a multi-materials approach towards the development of a safe and cost-effective solution for hydrogen fuel storage in Fuel Cell Vehicles (FCVs). Numerous studies exist with regards to the exposure of polymeric materials to gaseous hydrogen as applicable to the hydrogen infrastructure and related compression, storage, delivery, and dispensing operations of hydrogen at fueling stations. However, the behavior of these soft materials under high pressure hydrogen environments has not been well understood. This study involves exposure of select thermoplastic and elastomeric polymers to high pressure hydrogen (70-100 MPa) under static, isothermal, and isobaric conditions followed by characterization of physical properties and mechanical performance. Special attempt has been made to explain hydrogen effects on polymer properties in terms of polymer structure-property relationships, and also understand the influential role played by additives such as fillers, plasticizers, and processing aids in polymers exposed to hydrogen. Efforts have also been focused on deriving suitable conditions of static testing in high pressure hydrogen environments as a valuable part of developing a suitable test methodology for such systems. Understanding the relationships between polymer composition and microstructure, time of exposure, rate of depressurization, purge and exposure conditions, etc. in this simple study will help better define the test parameters for upcoming high pressure cycling experiments in hydrogen.
C1 [Menon, Nalini C.; Kruizenga, Alan M.; Nissen, April] Sandia Natl Labs, Dept Chem Mat, Livermore, CA 94550 USA.
[Alvine, Kyle J.; Brooks, Kriston] Pacific Northwest Natl Lab, Richland, WA 99354 USA.
[San Marchi, Chris] Sandia Natl Labs, Hydrogen & Mat Sci, Livermore, CA 94550 USA.
RP Menon, NC (reprint author), Sandia Natl Labs, Dept Chem Mat, Livermore, CA 94550 USA.
EM ncmenon@sandia.gov; amkruiz@sandia.gov; kyle.alvine@pnnl.gov;
cwsanma@sandia.gov; anissen@sandia.gov; kriston.brooks@pnnl.gov
FU DOE's Fuel Cell Technologies Office
FX The above work was made possible by funding provided by DOE's Fuel Cell
Technologies Office under the Hydrogen and Fuel Cell program (Hydrogen
Safety Codes and Standards).
NR 18
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U1 1
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PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5043-5
PY 2017
AR V06BT06A037
PG 16
WC Engineering, Mechanical
SC Engineering
GA BH0PJ
UT WOS:000395838500037
ER
PT B
AU Prowant, MS
Denslow, KM
Moran, TL
Jacob, RE
Hartman, TS
Crawford, SL
Mathews, R
Neill, KJ
Cinson, AD
AF Prowant, Matthew S.
Denslow, Kayte M.
Moran, Traci L.
Jacob, Richard E.
Hartman, Trenton S.
Crawford, Susan L.
Mathews, Royce
Neill, Kevin J.
Cinson, Anthony D.
BE Ren, W
Zhu, XK
Duncan, A
TI EVALUATION OF ULTRASONIC PHASED-ARRAY FOR DETECTION OF PLANAR FLAWS IN
HIGH-DENSITY POLYETHYLENE (HDPE) BUTT-FUSION JOINTS
SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE, 2016,
VOL 6B
LA English
DT Proceedings Paper
CT ASME Pressure Vessels and Piping Conference
CY JUL 17-21, 2016
CL Vancouver, CANADA
SP ASME, Pressure Vessels & Pip Div
AB The desire to use high-density polyethylene (HDPE) piping in buried Class 3 service and cooling water systems in nuclear power plants is primarily motivated by the material's high resistance to corrosion relative to that of steel alloys. The rules for construction of Class 3 BDPE pressure piping systems were originally published as an alternative to the American Society of Mechanical Engineers Boiler and Pressure Vessel Code (ASME BPVC) in ASME Code Case N-755 and were recently incorporated into the ASME BPVC Section III as Mandatory Appendix XXVI (2015 Edition). The requirements for HDPE examination are guided by criteria developed for metal pipe and are based on industry-led HDPE research and conservative calculations.
Before HDPE piping will be generically approved for use in U.S. nuclear power plants,. the U.S. Nuclear Regulatory Commission (NRC) must have independent verification of industry-led research used to develop ASME BPVC rules for HDPE piping. With regard to examination, the reliability of volumetric inspection techniques in detecting fusion joint fabrication flaws against Code requirements needs to be confirmed. As such, confirmatory research was performed at the Pacific Northwest National Laboratory (PNNL) from 2012 to 2015 to assess the ability of phased-array ultrasonic testing (PA-UT) as a nondestructive evaluation (NDE) technique to detect planar flaws, represented by implanted stainless steel discs, within HDPE thermal butt-fusion joints. All HDPE material used in this study was commercially dedicated, 305 mm (12.0 in.) nominal diameter, dimension ratio (DR) 11, PE4710 pipe manufactured with Code-conforming resins, and fused by a qualified and experienced operator. Thermal butt-fusion joints were fabricated in accordance with or intentionally outside the standard fusing procedure specified in ASME BPVC. The implanted disc diameters ranged from 0.8-2.2 mm (0.03-0.09 in.) and the post-fabrication positions of the discs within the fusion joints.were verified using nolinal- and angled-incidence X-ray radiography. Ultrasonic volumetric examinations were performed with the weld beads intact and the PA-UT probes operating in the standard transmit-receive longitudinal (TRL) configuration. The effects of probe aperture on the ability to detect the discs were evaluated using 128-, 64-, and 32-element PA-UT probe configurations. Results of the examinations for each of the three apertures used in this study will be discussed and compared based on disc detection using standard amplitude based signal analysis that would typically be used with the ultrasonic volumetric examination methods found in ASME BPVC.
C1 [Prowant, Matthew S.; Denslow, Kayte M.; Moran, Traci L.; Jacob, Richard E.; Hartman, Trenton S.; Crawford, Susan L.; Mathews, Royce; Neill, Kevin J.] Pacific Northwest Natl Lab, Richland, WA 99354 USA.
[Cinson, Anthony D.] US Nucl Regulatory Commiss, Washington, DC 20555 USA.
RP Prowant, MS (reprint author), Pacific Northwest Natl Lab, Richland, WA 99354 USA.
FU U.S. Nuclear Regulatory Commission under U.S. Department of Energy
[DE-AC05-76RL01830]; NRC JCN [V6230]; Mr. Anthony Cinson and Ms. Carol
Nove, Program Monitors
FX The authors would like to acknowledge Doug Munson of the Electric Power
Research Institute and Tim Adams of Stevenson & Associates for supplying
commercial-grade dedicated PE4710 pipe material, and ISCO Industries for
fabricating the thermal butt-fusion joints. This research was sponsored
by the U.S. Nuclear Regulatory Commission under U.S. Department of
Energy Contract DE-AC05-76RL01830; NRC JCN V6230; Mr. Anthony Cinson and
Ms. Carol Nove, Program Monitors.
NR 3
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U1 1
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PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5043-5
PY 2017
AR V06BT06A051
PG 8
WC Engineering, Mechanical
SC Engineering
GA BH0PJ
UT WOS:000395838500051
ER
PT B
AU Rebak, RB
Terrani, KA
Fawcett, RM
AF Rebak, Raul B.
Terrani, Kurt A.
Fawcett, Russ M.
BE Ren, W
Zhu, XK
Duncan, A
TI FeCrAl ALLOYS FOR ACCIDENT TOLERANT FUEL CLADDING IN LIGHT WATER
REACTORS
SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE, 2016,
VOL 6B
LA English
DT Proceedings Paper
CT ASME Pressure Vessels and Piping Conference
CY JUL 17-21, 2016
CL Vancouver, CANADA
SP ASME, Pressure Vessels & Pip Div
ID LWRS
AB The goal of the U.S. Department of Energy (DOE) Accident Tolerant Fuel Program (ATF) for light water reactors (LWR) is to identify alternative fuel system technologies to further enhance the safety of commercial nuclear power plants. An ATF fuel system would endure loss of cooling in the reactor for a considerably longer period of time than the current systems. The General Electric (GE) and Oak Ridge National Laboratory (ORNL) ATF design concept utilizes an iron chromium -aluminum (FeCrAl) alloy material as fuel rod cladding in combination with uranium dioxide (UO2) fuel pellets currently in use, resulting in a fuel assembly that leverages the performance of existing/current LWR fuel assembly designs and infrastructure with improved accident tolerance. Significant testing was performed in the last three years to characterize FeCrAl alloys for cladding applications, both under normal operation conditions of the reactor and under accident conditions. This article is a state of the art description of the concept.
C1 [Rebak, Raul B.] GE Global Res, Schenectady, NY 12309 USA.
[Terrani, Kurt A.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Fawcett, Russ M.] Global Nucl Fuel Amer, Wilmington, NC USA.
RP Rebak, RB (reprint author), GE Global Res, Schenectady, NY 12309 USA.
FU GE Global Research; Department of Energy [National Nuclear Security
Administration] [DE-NE0008221]; United States Government
FX The financial support of Kelly Fletcher and Steve Duclos of GE Global
Research is gratefully acknowledged.; This material is based upon work
supported by the Department of Energy [National Nuclear Security
Administration] under Award Number DE-NE0008221. 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 23
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U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5043-5
PY 2017
AR V06BT06A009
PG 8
WC Engineering, Mechanical
SC Engineering
GA BH0PJ
UT WOS:000395838500009
ER
PT B
AU Ronevich, JA
Somerday, BP
AF Ronevich, Joe A.
Somerday, Brian P.
BE Ren, W
Zhu, XK
Duncan, A
TI HYDROGEN EFFECTS ON FATIGUE CRACK GROWTH RATES IN PIPELINE STEEL WELDS
SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE, 2016,
VOL 6B
LA English
DT Proceedings Paper
CT ASME Pressure Vessels and Piping Conference
CY JUL 17-21, 2016
CL Vancouver, CANADA
SP ASME, Pressure Vessels & Pip Div
ID GASEOUS-HYDROGEN
AB Fatigue crack growth rate (da/dN) versus stress intensity factor range (Delta K) relationships were measured for various grades of pipeline steel along with their respective welds in high pressure hydrogen. Tests were conducted in both 21 MPa hydrogen gas and a reference environment (e.g. air) at room temperature. Girth welds fabricated by arc welding and friction stir welding processes were examined in X65 and X52 pipeline grades, respectively. Results showed accelerated fatigue crack growth rates for all tests in hydrogen as compared to tests in air. Modestly higher hydrogen-assisted crack growth rates were observed in the welds as compared to their respective base metals. The arc weld and friction stir weld exhibited similar fatigue crack growth behavior suggesting similar sensitivity to hydrogen. A detailed study of microstructure and fractography was performed to identify relationships between microstructure constituents and hydrogen accelerated fatigue crack growth.
C1 [Ronevich, Joe A.] Sandia Natl Labs, Livermore, CA 94550 USA.
[Somerday, Brian P.] Southwest Res Inst, San Antonio, TX USA.
RP Ronevich, JA (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA.
FU US Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; US Department of Energy Fuel Cell Technologies
Office through the Hydrogen Delivery sub-program
FX The authors are grateful to I. Campbell for hydrogen pressure systems
support, A. Gardea for metallographic preparation, and S. Vitale and R.
Nishimoto for SEM imaging. Sandia is a multiprogram laboratory operated
by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin
Corporation, for the US Department of Energy's National Nuclear Security
Administration under contract DE-AC04-94AL85000. This work was supported
by the US Department of Energy Fuel Cell Technologies Office through the
Hydrogen Delivery sub-program. The authors would also like to
acknowledge Z. Feng of Oak Ridge National Laboratory for providing the
X52 friction stir welded pipe. The United States Government retains, and
by accepting the article for publication, the publisher acknowledges
that the United States Government retains, a non-exclusive, paid-up,
irrevocable, worldwide license to publish or reproduce the published
form of this work, or allow others to do so, for United States
Government purposes.
NR 12
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5043-5
PY 2017
AR V06BT06A035
PG 10
WC Engineering, Mechanical
SC Engineering
GA BH0PJ
UT WOS:000395838500035
ER
PT B
AU Shi, JH
Wei, LW
Lam, PS
AF Shi, Jinhua
Wei, Liwu
Lam, Poh-Sang
BE Ren, W
Zhu, XK
Duncan, A
TI FLAW STABILITY ANALYSIS OF SEMI-ELLIPTICAL SURFACE CRACKS IN CANISTERS
UNDER THE INFLUENCE OF WELDING RESIDUAL STRESS
SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE, 2016,
VOL 6B
LA English
DT Proceedings Paper
CT ASME Pressure Vessels and Piping Conference
CY JUL 17-21, 2016
CL Vancouver, CANADA
SP ASME, Pressure Vessels & Pip Div
AB Many stainless steel canisters for the dry storage of spent nuclear fuel are located in coastal regions. Because the heat treatment for relieving the welding residual stress is not required during fabrication, these canisters may be susceptible to chloride induced stress corrosion cracking due to the deliquescence of chloride-bearing marine salts or dust that enter the overpack system and deposit on the canister external surface. The NDE techniques and the associated delivery system are being developed to conduct periodic inservice inspections. The acceptance standards are needed to disposition findings should flaw-like indications be found. The instability crack lengths and depths for these flaws in the form of semi-elliptical shape near the welds are determined with R6 procedure. The cracks are subject to the canister design pressure and handling loads as well as the estimated welding residual stresses.
C1 [Shi, Jinhua; Wei, Liwu] Amec Foster Wheeler, 19B Brighouse Court,Barnett Way, Gloucester GL4 3RT, England.
[Lam, Poh-Sang] Savannah River Natl Lab, Mat Sci & Technol, Aiken, SC 29808 USA.
RP Shi, JH (reprint author), Amec Foster Wheeler, 19B Brighouse Court,Barnett Way, Gloucester GL4 3RT, England.
NR 21
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U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5043-5
PY 2017
AR V06BT06A066
PG 12
WC Engineering, Mechanical
SC Engineering
GA BH0PJ
UT WOS:000395838500066
ER
PT B
AU Sindelar, RL
Carter, JT
Duncan, AJ
Garcia-Diaz, BL
Lam, PS
Wiersma, BJ
AF Sindelar, Robert L.
Carter, Joe T.
Duncan, Andrew J.
Garcia-Diaz, Brenda L.
Lam, Poh-Sang
Wiersma, Bruce J.
BE Ren, W
Zhu, XK
Duncan, A
TI CHLORIDE-INDUCED STRESS CORROSION CRACK GROWTH UNDER DRY SALT CONDITIONS
APPLICATION TO EVALUATE GROWTH RATES IN MULTIPURPOSE CANISTERS
SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE, 2016,
VOL 6B
LA English
DT Proceedings Paper
CT ASME Pressure Vessels and Piping Conference
CY JUL 17-21, 2016
CL Vancouver, CANADA
SP ASME, Pressure Vessels & Pip Div
ID STAINLESS-STEEL CANISTER; SPENT NUCLEAR-FUEL; STORAGE
AB The conditions of continued dry storage of the spent nuclear fuel in multipurpose canisters render the canisters, a component for confinement in dry storage cask systems, susceptible to chloride-induced stress corrosion cracking (SCC). The requisite conditions involve deposits of chloride bearing marine salts and/or dust that deliquesce on the external surface of the cooling canister to create brine at weld residual stress regions. The subcritical crack growth rate at this "dry salt" condition, investigated by several researchers, has shown a relatively slow growth rate compared to chloride-cracking under aqueous conditions. A new SCC growth rate test specimen configuration has been developed to enable an initially dried salt assemblage to deliquesce under temperature and humidity conditions to load the fatigue pre-cracked, wedge-opening-loaded (WOL) specimen with the brine and enable measurements of crack growth rate (da/dt) under falling stress intensity factor, KJ, conditions. The application of the results to a canister weldment with a residual stress profile to predict crack extension in time is described. The results are evaluated in terms of development of acceptance standards for this type of flaw, should SCC be identified and characterized through inservice inspection (ISI).
C1 [Sindelar, Robert L.; Duncan, Andrew J.; Garcia-Diaz, Brenda L.; Lam, Poh-Sang; Wiersma, Bruce J.] Savannah River Natl Lab, Mat Sci & Technol, Aiken, SC 29808 USA.
[Carter, Joe T.] Savannah River Natl Lab, Nucl Programs, Aiken, SC 29808 USA.
RP Sindelar, RL (reprint author), Savannah River Natl Lab, Mat Sci & Technol, Aiken, SC 29808 USA.
EM robert.sindelar@srnl.doe.gov; joe.carter@srs.gov;
andrew.duncan@srnl.doe.gov; brenda.garcia@srnl.doe.gov;
ps.lam@srnl.doe.gov; bruce.wiersma@srnl.doe.gov
FU Nuclear Fuel Storage and Transportation (NFST) Planning Project; Used
Fuel Disposition (UFD) Campaign under the U.S. Department of Energy,
Office of Nuclear Energy; Savannah River Nuclear Solutions, LLC under
U.S. Department of Energy [DE-AC09-08SR22470]
FX This work at the Savannah River National Laboratory was sponsored by the
Nuclear Fuel Storage and Transportation (NFST) Planning Project, and by
the Used Fuel Disposition (UFD) Campaign under the U.S. Department of
Energy, Office of Nuclear Energy; and by the Savannah River Nuclear
Solutions, LLC under Contract No. DE-AC09-08SR22470 with the U.S.
Department of Energy.
NR 19
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5043-5
PY 2017
AR V06BT06A065
PG 7
WC Engineering, Mechanical
SC Engineering
GA BH0PJ
UT WOS:000395838500065
ER
PT B
AU Smith, DB
Frame, BJ
Anovitz, LM
Makselon, C
AF Smith, D. Barton
Frame, Barbara J.
Anovitz, Lawrence M.
Makselon, Christopher
BE Ren, W
Zhu, XK
Duncan, A
TI FEASIBILITY OF USING GLASS-FIBER-REINFORCED POLYMER PIPELINES FOR
HYDROGEN DELIVERY
SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE, 2016,
VOL 6B
LA English
DT Proceedings Paper
CT ASME Pressure Vessels and Piping Conference
CY JUL 17-21, 2016
CL Vancouver, CANADA
SP ASME, Pressure Vessels & Pip Div
ID DURABILITY; TESTS
AB Pipelines are a practicable means for delivering large quantities of gaseous hydrogen over long distances and for,distributing it as a transportation fuel at fueling stations in urban and rural settings. Glass-fiber-reinforced polymer (GFRP) pipelines are a promising alternative to the present-day use of low-alloy steel in pipelines for hydrogen transmission. GFRP pipelines offer advantages of lower capital cost and improved lifecycle performance, compared to steel pipelines. The technical challenges for adapting GRFP pipeline technology from oil and natural gas transmission, where it is in extensive service worldwide, to hydrogen transmission consists of evaluating the hydrogen compatibility of the constituent. materials and composite construction, identifying the advantages and challenges of the various manufacturing methods, testing polymeric liners and pipelines to determine hydrogen permeability and leak rates, selecting options for pipeline joining technologies, establishing the necessary modifications to existing codes and standards to validate the safe and reliable implementation of the pipeline.
We performed examined the technical feasibility of using a commercially available spoolable glass-fiber-reinforced polymer (GFRP) pipeline for hydrogen transmission. We used an accelerated aging process based on the Arrhenius model to screen for hydrogen-induced damage in the pipeline and in the pipeline's constituent materials. We also measured hydrogen leakage rates in short lengths of the pipeline. The accelerated aging process involved immersing GRFP pipeline specimens in pipeline-pressure hydrogen (6.9 MPa/1000 psi) at an elevated temperature (60 degrees C) to promote an accelerated interaction of hydrogen with the pipeline structure. To assess specific effects on the constituent materials in the pipeline, specimens of fiberglass rovings, resin matrix and liner materials were immersed together with the pipeline specimens, and specimens of all types were subjected to either a one-month or an eight month exposure to hydrogen at the elevated temperature. At the conclusion of each exposure interval the pipeline specimens were evaluated for degradation using hydrostatic burst pressure tests to assess the overall integrity of the structure, compression tests to assess the integrity of the polymer matrix, and bend testing to assess the integrity of the laminate. The results of these tests were compared to the results obtained from identical tests performed on un-conditioned specimens from the same manufacturing run. Tensile tests and dynamic mechanical analysis were performed on multiple specimens of constituent materials.
We measured the hydrogen leak rate in GFRP pipeline lined with pipeline-grade high-density polyethylene (PE-3408). The thickness of the liner was 0.526 cm and its inside diameter was 10.1 cm. The hydrogen pressurization during the leak rate measurements was 10.3 MPa (1500 psia) - the maximum recommended pressure - and all measurements were done at ambient temperatures in an air-conditioned laboratory. The pipeline was closed on each end using a steel cap with elastomer (O-ring) seals. The leak rate was calculated from the temperature-compensated pressure decay curve. Changes in pipeline volume that occurred due to pressure-induced dimensional changes in the pipeline length and circumference were measured using strain gauge sensors. These volumetric changes occurred at the earliest measurement times and diminished to near zero at the long measurement times during which the steady-state leak rate was determined. Leak rate measurements in three different lengths of pipeline yielded a leak rate was significantly lower than the predicted rate from the standard analytical model for a cylindrical vessel.
C1 [Smith, D. Barton; Frame, Barbara J.; Anovitz, Lawrence M.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA.
[Makselon, Christopher] NOV Fiberglass Syst, Houston, TX USA.
RP Smith, DB (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA.
FU US Department of Energy [DE-AC05-00OR22725]
FX This research was performed at the Oak Ridge National Laboratory, which
is managed by UT-Battelle, LLC, for the US Department of Energy under
Contract No. DE-AC05-00OR22725.
NR 8
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5043-5
PY 2017
AR V06BT06A036
PG 8
WC Engineering, Mechanical
SC Engineering
GA BH0PJ
UT WOS:000395838500036
ER
PT B
AU Zhang, L
An, B
Iijima, T
San Marchi, C
AF Zhang, Lin
An, Bai
Iijima, Takashi
San Marchi, Chris
BE Ren, W
Zhu, XK
Duncan, A
TI EFFECT OF GASEOUS HYDROGEN CHARGING ON NANOHARDNESS OF AUSTENITIC
STAINLESS STEELS
SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE, 2016,
VOL 6B
LA English
DT Proceedings Paper
CT ASME Pressure Vessels and Piping Conference
CY JUL 17-21, 2016
CL Vancouver, CANADA
SP ASME, Pressure Vessels & Pip Div
ID ELECTROCHEMICAL NANOINDENTATION; HYDROGEN/DEFORMATION INTERACTION;
PLASTICITY
AB Understanding of hydrogen effect on local mechanical properties of metals is important for understanding hydrogen embrittlement mechanisms. The effect of thermal gaseous hydrogen precharging on the nanomechanics of SUS310S and SUS304 austenitic stainless steels has been investigated using a combination of nanoindentation and atomic force microscopy (AFM). It is observed that hydrogen precharging decreases the first excursion load in load versus displacement curves and enhances the slip steps around indentations for both the materials, which experimentally support the hydrogen-enhanced localized plasticity (HELP) mechanism. The nanohardness in SUS310S stable austenitic stainless steel is increased by hydrogen precharging while that in SUS304 metastable austenitic stainless steel is decreased by hydrogen precharging. The hydrogen-induced hardening in SUS310S and softening in SUS304 are discussed in terms of the hydrogen/deformation interaction and the effect of hydrogen on strain-induced martensite transformation.
C1 [Zhang, Lin] Zhejiang Univ Technol, Hangzhou, Zhejiang, Peoples R China.
[Zhang, Lin; An, Bai; Iijima, Takashi] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki, Japan.
[San Marchi, Chris] Sandia Natl Labs, Livermore, CA USA.
RP An, B (reprint author), Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki, Japan.
EM zhlin@zjut.edu.cn; b.an@aist.go.jp; lijima-t@aist.go.jp;
cwsanma@sandia.gov
NR 22
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Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5043-5
PY 2017
AR V06BT06A028
PG 5
WC Engineering, Mechanical
SC Engineering
GA BH0PJ
UT WOS:000395838500028
ER
PT J
AU Klippenstein, SJ
AF Klippenstein, Stephen J.
TI From theoretical reaction dynamics to chemical modeling of combustion
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Review
DE Theoretical chemical kinetics; Ab initio electronic structure theory;
Transition state theory; Master equation; Combustion chemistry
ID TRANSITION-STATE THEORY; POTENTIAL-ENERGY SURFACE; PHENOMENOLOGICAL RATE
COEFFICIENTS; LOW-TEMPERATURE COMBUSTION; PRODUCT BRANCHING RATIO;
2-DIMENSIONAL MASTER EQUATION; DENSITY-FUNCTIONAL GEOMETRIES; ACTIVE
THERMOCHEMICAL TABLES; LAMINAR BURNING VELOCITIES; EXHAUST-GAS
RECIRCULATION
AB The chemical modeling of combustion treats the chemical conversion of hundreds of species through thousands of reactions. Recent advances in theoretical methodologies and computational capabilities have transformed theoretical chemical kinetics from a largely empirical to a highly predictive science. As a result, theoretical chemistry is playing an increasingly significant role in the combustion modeling enterprise. The accurate prediction of the temperature and pressure dependence of gas phase reactions requires state-of-theart implementations of a variety of theoretical methods: ab initio electronic structure theory, transition state theory, classical trajectory simulations, and the master equation. In this work, we illustrate the current stateof- the-art in predicting the kinetics of gas-phase reactions through sample calculations for some prototypical reactions central to combustion chemistry. These studies are used to highlight the success of theory, as well as its remaining challenges, through comparisons with experiments ranging from elementary reaction kinetics studies through to global observations such as flame speed measurements. The illustrations progress from the treatment of relatively simple abstraction and addition reactions, which proceed over a single transition state, through to the complexity of multiwell multichannel reactions that commonly occur in studies of the growth of polycyclic aromatic hydrocarbons. In addition to providing high quality rate prescriptions for combustion modelers, theory will be seen to indicate various shortcomings in the foundations of chemical modeling. Future progress in the fidelity of the chemical modeling of combustion will benefit from more widespread applications of theoretical chemical kinetics and from increasingly intimate couplings of theory, experiment, and modeling. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Klippenstein, Stephen J.] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Klippenstein, SJ (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM sjk@anl.gov
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences
[DE-AC02-06CH11357]; AITSTME project as part of the Predictive Theory
and Modeling component of the Materials Genome Initiative;
Argonne-Sandia Consortium on High Pressure Combustion Chemistry
FX This material is based upon work supported by the U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences, and Biosciences under contract no.
DE-AC02-06CH11357. This support largely arose from our core Gas Phase
Chemical Physics grant, with software development supported by the
AITSTME project as part of the Predictive Theory and Modeling component
of the Materials Genome Initiative, other collaborations with Sandia
supported through the Argonne-Sandia Consortium on High Pressure
Combustion Chemistry, and support for the propane ignition modeling
through the Energy Frontier Research Center for Combustion Science, all
within DOEBES. I also gratefully acknowledge numerous fruitful and
enjoyable discussions with my colleagues, postdocs, and visiting faculty
and students. Most notably, Jim Miller and Larry Harding have taught me
all that I know about combustion chemistry and electronic structure
theory, respectively. Jim has also been a partner in crime in our master
equation developments, while Larry has joined with me in coupling ab
initio electronic structure theory with dynamical theories. Ahren
Jasper, whose work on nonadiabatic reactions and transport properties is
reviewed here, was also the driving force behind our work on the
two-dimensional master equation plus dynamics approach, and has
generally contributed to the intellectual foundations of this work. Yuri
Georgievskii has contributed through his deep knowledge of chemical
physics and his high-level programming skills. The insight of these four
scientists pervades this review. Mike Burke, Franklin Goldsmith, Nicole
Labbe, Alexander Landera, and Marco Verdicchio have amply demonstrated
Mike's facetious truism-postdocs are not students because they do not
learn from their advisor, rather the advisor learns from them. Among
other things, Mike and Franklin initiated our work on non-thermal
effects in combustion, Mike developed his multiscale informatics
approach, Nicole led the exploration of the effects of prompt
dissociations, Franklin was largely responsible for our propyl oxidation
and direct dynamics studies, Alex contributed to our knowledge of the
chemistry in nitrogen containing systems, while Marco further developed
and applied the two-dimensional master equation approach. The present
research has also benefitted immensely from long-term interactions with
Craig Taatjes, Joe Michael, Robert Tranter, and Nils Hansen whose
experiments have repeatedly pushed forward the frontiers of our
theoretical analyses. Finally, Raghu Sivaramakrishnan, Peter Glarborg,
and Bill Green have led the way in a number of the modeling efforts
summarized here, Alison Tomlin and Mike Davis have introduced me to the
importance of understanding uncertainties, while Branko Ruscic has shown
me the beauty and value of high accuracy thermochemistry, and
interactions with Alex Mebel and Carlo Cavallotti are advancing my
understanding of PAH chemistry.
NR 288
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PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 77
EP 111
DI 10.1016/j.proci.2016.07.100
PG 35
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200004
ER
PT J
AU Zhang, F
Nicolle, A
Xing, LL
Klippenstein, SJ
AF Zhang, Feng
Nicolle, Andre
Xing, Lili
Klippenstein, Stephen J.
TI Recombination of aromatic radicals with molecular oxygen
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Hydrocarbon peroxy radicals; Aromatic radicals; Recombination reactions;
Quantum chemical calculations; Variable reaction coordinate transition
state theory
ID 2ND-ORDER PERTURBATION-THEORY; PRODUCT BRANCHING RATIOS; RATE
COEFFICIENTS; KINETICS; BENZYL; PHENYL; TEMPERATURE; OXIDATION; O-2;
HYDROCARBONS
AB The addition of molecular oxygen to hydrocarbon radicals yields peroxy radicals (ROO), which are cru-cial species in both atmospheric and combustion chemistry. For aromatic radicals there is little known about the recombination kinetics, especially for the high temperatures of relevance to combustion. Here, we have employed direct CASPT2 based variable reaction coordinate transition state theory to predict the high pressure recombination rates for four prototypical aromatic hydrocarbon radicals: phenyl, benzyl, 1-naphthyl, and 2-naphthyl. The variation in the predicted rates is discussed in relation to their molecular structure. The predicted rate coefficients are in reasonably satisfactory agreement with the limited experimental data and are expected to find utility in chemical modeling studies of PAH growth and oxidation. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Zhang, Feng; Xing, Lili] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China.
[Zhang, Feng; Nicolle, Andre; Klippenstein, Stephen J.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA.
[Nicolle, Andre] IFP Energies Nouvelles, Inst Carnot IFPEN Transports Energie, 1&4 Ave Bois Preau, F-92852 Rueil Malmaison, France.
RP Zhang, F (reprint author), Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China.; Zhang, F (reprint author), Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA.
EM feng2011@ustc.edu.cn
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences
[DE-AC02-06CH11357]; National Natural Science Foundation of China
[21303173, 51376170]
FX This material is based in part on work at Argonne supported by the U.S.
Department of Energy, Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences
under Contract no. DE-AC02-06CH11357. This work is also financially
supported by National Natural Science Foundation of China under Grants
21303173 and 51376170. We gratefully acknowledge numerous constructive
discussions with Yuri Georgievskii and Lawrence B. Harding.
NR 33
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PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 169
EP 177
DI 10.1016/j.proci.2016.06.021
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200010
ER
PT J
AU Tranter, RS
Jasper, AW
Randazzo, JB
Lockhart, JPA
Porterfield, JP
AF Tranter, Robert S.
Jasper, Ahren W.
Randazzo, John B.
Lockhart, James P. A.
Porterfield, Jessica P.
TI Recombination and dissociation of 2-methyl allyl radicals: Experiment
and theory
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Recombination; Resonance stabilization; Allyl; Methyl allyl; Equilibrium
ID SHOCK-TUBE; CHEMICAL-KINETICS; COMBUSTION; ISOBUTENE; OXIDATION; ATOMS;
CH4
AB The recombination and dissociation of the resonantly stabilized 2-methylallyl radical has been studied in a diaphragmless shock tube by laser schlieren densitometry (LS) over temperatures of 700-1350 K and pressures of 60-260 Torr. Both 2,5-dimethyl-1,5-hexadiene and the new low temperature precursor 3-methylbut3- enyl nitrite were used to generate 2-methylallyl radicals under these conditions. Rate coefficients were ob-tained for dissociation of the precursors, recombination of 2-methylallyl, and dissociation of 2-methylallyl by simulation of the LS profiles. The experiments are complemented by a priori theoretical calculations for both the recombination and dissociation of 2-methylallyl. The experimental results and theoretical predictions are in excellent agreement with one another. The calculated high pressure limit rate coefficient for recombination of 2-methylallyl is log(k(1)) = 14.737-0.641log T + 251.39/(2.303 xT) and that for dissociation of 2-methylallyl is log(k(3)) = 11.100-1.2295logT-28545/(2.303 xT). The uncertainties in k 1 and k 3 are estimated as factors of 1.5. Rate coefficients are provided over a broad range of pressures for chemical kinetic modeling. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Tranter, Robert S.; Randazzo, John B.; Lockhart, James P. A.] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Jasper, Ahren W.] Sandia Natl Labs, Combust Res Facil, 70 East Ave, Livermore, CA 94550 USA.
[Porterfield, Jessica P.] Univ Colorado, Sch Chem & Biochem, Boulder, CO 80309 USA.
RP Tranter, RS (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM tranter@anl.gov
FU Office of Basic Energy Sciences, Division of Chemical Sciences,
Geosciences, and Biosciences, U.S. Department of Energy; United States
Department of Energy [DE-AC04-94-AL85000]; National Science Foundation
[CBET 1403979]; [DE-AC02-06CH11357]
FX This work was performed under the auspices of the Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences,
U.S. Department of Energy. The work at ANL was performed under Contract
number DE-AC02-06CH11357. Sandia is a multiprogram laboratory operated
by Sandia Corporation, a Lockheed Martin Company, for the United States
Department of Energy under Contract no. DE-AC04-94-AL85000. JPP is
grateful to the National Science Foundation for support on contract CBET
1403979. We are grateful to Henry Curran and Chongwen Zhou of NUIG for
sharing results of their calculations and to Xiao-Min Lin and Scott M.
Brombosz at ANL for assistance with IR and NMR, respectively.
NR 34
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PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 211
EP 218
DI 10.1016/j.proci.2016.06.040
PG 8
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200015
ER
PT J
AU Li, XH
Jasper, AW
Zador, J
Miller, JA
Klippenstein, SJ
AF Li, Xiaohu
Jasper, Ahren W.
Zador, Judit
Miller, James A.
Klippenstein, Stephen J.
TI Theoretical kinetics of O + C2H4
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Cvetanovic; Non-adiabatic transition state theory; RRKM
ID TRANSITION-STATE THEORY; CROSSED MOLECULAR-BEAM; ETHYLENE-AIR MIXTURES;
ELEVATED PRESSURES; CHEMICAL-REACTIONS; BRANCHING RATIOS; PRODUCT
CHANNEL; ATOMIC OXYGEN; DYNAMICS; COMBUSTION
AB The reaction of atomic oxygen with ethylene is a fundamental oxidation step in combustion and is prototypical of reactions in which oxygen adds to double bonds. For O-3 + C2H4 and for this class of reactions gen-erally, decomposition of the initial adduct via spin-allowed reaction channels on the triplet surface competes with intersystem crossing (ISC) and a set of spin-forbidden reaction channels on the ground-state singlet surface. The two surfaces share some bimolecular products but feature different intermediates, pathways, and transition states. The overall product branching is therefore a sensitive function of the ISC rate. The O-3 + C2H4 reaction has been extensively studied, but previous experimental work has not provided detailed branching information at elevated temperatures, while previous theoretical studies have employed empirical treatments of ISC. Here we predict the kinetics of O-3 + C2H4 using an ab initio transition state theory based master equation (AITSTME) approach that includes an a priori description of ISC. Specifically, the ISC rate is calculated using Landau-Zener statistical theory, consideration of the four lowest-energy electronic states, and a direct classical trajectory study of the product branching immediately after ISC. The present theoretical results are largely in good agreement with existing low-temperature experimental kinetics and molecular beam studies. Good agreement is also found with past theoretical work, with the notable exception of the predicted product branching at elevated temperatures. Above similar to 1000 K, we predict CH2CHO + H and CH2 + CH2O as the major products, which differs from the room temperature preference for CH3 + HCO (which is assumed to remain at higher temperatures in some models) and from the prediction of a previous detailed master equation study. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Li, Xiaohu; Jasper, Ahren W.; Zador, Judit] Combust Res Facil, Sandia Natl Labs, Livermore, CA 94551 USA.
[Miller, James A.; Klippenstein, Stephen J.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Jasper, AW (reprint author), Combust Res Facil, Sandia Natl Labs, Livermore, CA 94551 USA.
EM ajasper@sandia.gov
FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of
Basic Energy Sciences, U.S. Department of Energy; United States
Department of Energy [DE-AC04-94-AL85000]; [DE-AC02-06CH11357]
FX This work is supported by the Division of Chemical Sciences,
Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S.
Department of Energy. Sandia is a multiprogram laboratory operated by
Sandia Corporation, a Lockheed Martin Company, for the United States
Department of Energy under Contract no. DE-AC04-94-AL85000. The work at
Argonne was supported under Contract no. DE-AC02-06CH11357. Software
development was supported by the AITSTME project as part of the
Predictive Theory and Modeling component of the Materials Genome
Initiative.
NR 37
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PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 219
EP 227
DI 10.1016/j.proci.2016.06.053
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200016
ER
PT J
AU Perry, JW
Wagner, AF
AF Perry, Jamin W.
Wagner, Albert F.
TI Pressure effects on the relaxation of an excited hydrogen peroxyl
radical in an Argon bath
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Molecular dynamics; High pressure; Energy transfer; Hydrogen peroxy;
Deactivating collisions
ID COLLISIONAL ENERGY-TRANSFER; TRIATOMIC-MOLECULES; HO2
AB Molecular dynamics simulations were used to study the effect of pressure on the vibrational deactivation of HO2 embedded in an Ar bath gas at 800 K and at pressures ranging from 10 atm to 400 atm. The time dependent decay of vibrational energy is found to be poly-exponential for all of the simulated pressures. Plots of the relaxation rate constants as a function of density show deviation from the expected linear de-pendence at similar to 250 atm. A combinatorial multi-bath-gas collisional model suggests this deviation is due to the breakdown in the isolated binary collision approximation. Comparisons to studies with similar findings and additional considerations for understanding this behavior are discussed. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Perry, Jamin W.] Univ Missouri Columbia, Dept Chem, Columbia, MO 65211 USA.
[Wagner, Albert F.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA.
RP Wagner, AF (reprint author), Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA.
EM wagner@anl.gov
FU U.S. Army Research Office [W911NF-09-1-0199]; U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences, Division of Chemical
Sciences, U.S. Department of Energy [DE-AC02-06CH11357]
FX This material is based upon work supported by the U.S. Army Research
Office under Grant number W911NF-09-1-0199 (JP) and the U.S. Department
of Energy, Office of Science, Office of Basic Energy Sciences, Division
of Chemical Sciences, U.S. Department of Energy under Contract no.
DE-AC02-06CH11357 (AW). We thank D. Thompson for the initial idea,
helpful discussions, and computer resources.
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PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 229
EP 236
DI 10.1016/j.proci.2016.06.054
PG 8
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200017
ER
PT J
AU Randazzo, JB
Annesley, CJ
Bell, K
Tranter, RS
AF Randazzo, John B.
Annesley, Christopher J.
Bell, Kirsten
Tranter, Robert S.
TI A shock tube laser schlieren study of cyclopentane pyrolysis
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Cycloalkanes; Cyclopentane; Diaphragmless shock tube; Hydrocarbon
pyrolysis
ID THERMAL UNIMOLECULAR DECOMPOSITION; CYCLOHEXANE; 1,3,5-TRIOXANE;
RADICALS; FUELS
AB The dissociation of cyclopentane has been investigated in a diaphragmless shock tube with laser schlieren densitometry at nominal post-shock pressures, P-2, of 35, 70, 150, and 300 Torr and temperatures, T-2, of 1472-2074 K. These are the first experimental data reported in the high temperature fall-off regime for cyclopentane. The experimental density gradients were simulated using a chemical-kinetic model with good agreement between simulations and experiments. Rate coefficients for dissociation of cyclopentane were ob-tained and mechanistic details were elucidated. An RRKM model was developed to best fit the experimental results, and the rate coefficients calculated are: k(1(35 Torr)) = (7.93 +/- 3.96) x10(84) T-19.815 exp(-64366/T) s(-1), k(1(70 Torr)) = (4.79 +/- 2.39) x10(77) T-17.705 exp(-62316/T) s(-1), k(1(150 Torr)) = (2.42 +/- 1.21) x10(69) T-15.295 exp(-59862/T) s(-1), k(1 (300 Torr)) = (4.66 +/- 2.33) x10(61) T-13.065 exp(-57493/T) s(-1), and k(1 infinity = (1.69 +/- 0.85)) x10(16) T-0.005 exp(-42983/T). Results show that cyclopentane dissociation is similar to that of cyclohexane, and involves for mation of a biradical inter mediate. The high-pressure limit rates for cyclopentane dissociation are also compared with previous results in the literature and show good agreement with a study by Tsang (1978) [21]. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Randazzo, John B.; Annesley, Christopher J.; Bell, Kirsten; Tranter, Robert S.] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Annesley, Christopher J.] Air Force Lab, Space Vehicles Directorate, 1451 Fourth St, Albuquerque, NM 87117 USA.
[Bell, Kirsten] Duke Univ, Sch Med, Dept Biostat & Bioinformat, 8 Searle Ctr Dr, Durham, NC 27703 USA.
RP Tranter, RS (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM tranter@anl.gov
FU Office of Basic Energy Sciences, Division of Chemical Sciences,
Geosciences, and Biosciences, U.S. Department of Energy
[DE-AC02-06CH11357]; SULI program by the U.S. Department of Energy,
Office of Science; SULI program by the U.S. Department of Energy, Office
of Workforce Development for Teachers and Students
FX This work was performed under the auspices of the Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences,
U.S. Department of Energy, under contract number DE-AC02-06CH11357. KB
was supported on the SULI program by the U.S. Department of Energy,
Office of Science and Office of Workforce Development for Teachers and
Students.
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SN 1540-7489
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J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 273
EP 280
DI 10.1016/j.proci.2016.05.038
PG 8
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200022
ER
PT J
AU Wang, ZD
Mohamed, SY
Zhang, LD
Moshammer, K
Popolan-Vaida, DM
Shankar, VSB
Lucassen, A
Ruwe, L
Hansen, N
Dagaut, P
Sarathy, SM
AF Wang, Zhandong
Mohamed, Samah Y.
Zhang, Lidong
Moshammer, Kai
Popolan-Vaida, Denisia M.
Shankar, Vijai Shankar Bhavani
Lucassen, Arnas
Ruwe, Lena
Hansen, Nils
Dagaut, Philippe
Sarathy, S. Mani
TI New insights into the low-temperature oxidation of 2-methylhexane
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Auto-oxidation; Highly oxidized multifunctional molecules; Peroxides;
Alternative isomerization; Synchrotron VUV photoionization mass
spectrometry
ID PRESSURE RATE RULES; N-ALKANES; IGNITION; COMBUSTION; GASOLINE; ISOMERS;
HEPTANE; THERMODYNAMICS; CHEMISTRY; PATHWAYS
AB In this work, we studied the low-temperature oxidation of a stoichiometric 2-methylhexane/O-2/Ar mixture in a jet-stirred reactor coupled with synchrotron vacuum ultraviolet photoionization molecular-beam mass spectrometry. The initial gas mixture was composed of 2% 2-methyhexane, 22% O-2 and 76% Ar and the pressure of the reactor was kept at 780 Torr. Low-temperature oxidation intermediates with two to five oxygen atoms were observed. The detection of C7H14O5 and C7H12O4 species suggests that a third O-2 addition process occurs in 2-methylhexane low-temperature oxidation. A detailed kinetic model was developed that describes the third O-2 addition and subsequent reactions leading to C7H14O5 (keto-dihydroperoxide and dihydroperoxy cyclic ether) and C7H12O4 (diketo-hydroperoxide and keto-hydroperoxy cyclic ether) species. The kinetics of the third O-2 addition reactions are discussed and model calculations were performed that reveal that third O-2 addition reactions promote 2-methylhexane auto-ignition at low temperatures. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Wang, Zhandong; Mohamed, Samah Y.; Shankar, Vijai Shankar Bhavani; Sarathy, S. Mani] King Abdullah Univ Sci & Technol, Clean Combust Res Ctr, Thuwal 239556900, Saudi Arabia.
[Zhang, Lidong] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China.
[Moshammer, Kai; Hansen, Nils] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
[Popolan-Vaida, Denisia M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Popolan-Vaida, Denisia M.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Lucassen, Arnas] Phys Tech Bundesanstalt, Bundesallee 100, D-38116 Braunschweig, Germany.
[Ruwe, Lena] Univ Bielefeld, Dept Chem, D-33615 Bielefeld, Germany.
[Dagaut, Philippe] CNRS, INSIS, 1C,Ave Rech Sci, F-45071 Orleans 2, France.
RP Wang, ZD (reprint author), King Abdullah Univ Sci & Technol, Clean Combust Res Ctr, Thuwal 239556900, Saudi Arabia.
EM zhandong.wang@kaust.edu.sa
RI Hansen, Nils/G-3572-2012
FU King Abdullah University of Science and Technology (KAUST); Saudi Aramco
under FUEL-COM program; National Key Scientific Instruments and
Equipment Development Program of China [2012YQ22011305]; Department of
Energy Gas Phase Chemical Physics Program at Lawrence Berkeley National
Laboratory [DEAC02-05CH11231]; German DFG Project [Ko1363/31-1];
European Research Council [291049-2G-CSafe]; Sandia Corporation;
Lockheed Martin Company; National Nuclear Security Administration
[DE-AC04-94-AL85000]; Office of Science, Office of Basic Energy Sciences
of the U.S. Department of Energy [DEAC02-05CH11231]
FX This work was supported by: King Abdullah University of Science and
Technology (KAUST) and Saudi Aramco under the FUEL-COM program; National
Key Scientific Instruments and Equipment Development Program of China
2012YQ22011305; Department of Energy Gas Phase Chemical Physics Program
at Lawrence Berkeley National Laboratory DEAC02-05CH11231; German DFG
Project Ko1363/31-1; European Research Council under FP7/2007-2013/ERC
Grant 291049-2G-CSafe; Sandia Corporation, a Lockheed Martin Company,
and under National Nuclear Security Administration Contract
DE-AC04-94-AL85000. 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. DEAC02-05CH11231.
NR 27
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PI NEW YORK
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SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 373
EP 382
DI 10.1016/j.proci.2016.06.085
PG 10
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200033
ER
PT J
AU Bourgeois, N
Goldsborough, SS
Vanhove, G
Duponcheel, M
Jeanmart, H
Contino, F
AF Bourgeois, Nicolas
Goldsborough, S. Scott
Vanhove, Guillaume
Duponcheel, Matthieu
Jeanmart, Herve
Contino, Francesco
TI CFD simulations of Rapid Compression Machines using detailed chemistry:
Impact of multi-dimensional effects on the auto-ignition of the
iso-octane
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Rapid Compression Machine; CFD; Detailed chemistry; Iso-octane
ID DYNAMIC ADAPTIVE CHEMISTRY; CYLINDER HCCI ENGINE; COMBUSTION; MODEL;
TABULATION; KNOCK
AB In Rapid Compression Machines (RCM), several phenomena can induce inhomogeneities inside the reaction chamber. The benefits of using a creviced piston have been largely demonstrated through good agreement with the widely used adiabatic core assumption. Still, temperature inhomogeneities due to wall heat transfer cannot be avoided. These induce spatial variations in terms of chemical composition, potentially affecting the auto-ignition process. Mass transfer to the crevices during two-stage ignition is also a phenomenon that can influence the ignition process. In this study, we quantify the impact of multi-dimensional effects on the auto-ignition of the iso-octane by comparing 0-D and RANS simulations of the Argonne RCM. A detailed kinetic mechanism is employed, which makes this study the first to couple an accurate description of both the physical and chemical phenomena in an RCM context for such a complex fuel. It is found that the influence of the inhomogeneities on the ignition delay is globally marginal except for the lowest temperature condition explored where the diffusive transport of intermediate species and radicals plays a key role. The effect of mass transfer to the crevices does not affect significantly the auto-ignition delay under the test conditions. The sensitivity of the results to the turbulence level is also assessed and the results indicate that turbulence may only exert a minor influence on the auto-ignition delay. Comparison with the experimental data is good, and RANS simulation results are similar to those of the 0-D simulations. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Bourgeois, Nicolas; Duponcheel, Matthieu; Jeanmart, Herve] Catholic Univ Louvain, Inst Mech Mat & Civil Engn, B-1348 Louvain La Neuve, Belgium.
[Bourgeois, Nicolas; Contino, Francesco] Vrije Univ Brussel, Dept Mech Engn, B-1050 Brussels, Belgium.
[Bourgeois, Nicolas; Contino, Francesco] Vrije Univ Brussel, BURN Joint Res Grp, Brussels, Belgium.
[Bourgeois, Nicolas; Contino, Francesco] Univ Libre Bruxelles, Brussels, Belgium.
[Goldsborough, S. Scott] Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Vanhove, Guillaume] Univ Lille 1 Sci & Technol, Physicochim Proc Combust & Atmosphere PC2A, Cite Sci, F-59655 Villeneuve Dascq, France.
RP Bourgeois, N (reprint author), Catholic Univ Louvain, Inst Mech Mat & Civil Engn, B-1348 Louvain La Neuve, Belgium.
EM nicolas.bourgeois@uclouvain.be
OI Contino, Francesco/0000-0002-8341-4350
FU F.R.I.A. (Fonds pour la Recherche en Industrie et Agriculture) - Belgian
french community F.R.S.-FNRS (Fonds de la Recherche Scientifique);
F.R.S.-FNRS [2.5020.11]
FX N. Bourgeois is supported by the F.R.I.A. (Fonds pour la Recherche en
Industrie et Agriculture) fellowship funded by the Belgian french
community F.R.S.-FNRS (Fonds de la Recherche Scientifique).
Computational resources have been provided by the supercomputing
facilities of the Universite catholique de Louvain (CISM/UCL) and the
Consortium des Equipements de Calcul Intensif en Federation
Wallonie-Bruxelles (CECI) funded by F.R.S.-FNRS under Grant No.
2.5020.11.
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PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 383
EP 391
DI 10.1016/j.proci.2016.08.064
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200034
ER
PT J
AU Zhang, YJ
Somers, KP
Mehl, M
Pitz, WJ
Cracknell, RF
Curran, HJ
AF Zhang, Yingjia
Somers, Kieran P.
Mehl, Marco
Pitz, William J.
Cracknell, Roger F.
Curran, Henry J.
TI Probing the antagonistic effect of toluene as a component in surrogate
fuel models at low temperatures and high pressures. A case study of
toluene/dimethyl ether mixtures
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Shock tube; Rapid compression machine; Ignition delay time; Toluene;
Dimethyl ether
ID RAPID COMPRESSION MACHINE; SHOCK-TUBE; DIMETHYL ETHER; ISO-OCTANE/AIR;
IGNITION DELAY; AUTO-IGNITION; OXIDATION; PYROLYSIS; AUTOIGNITION;
BENZENE
AB There is a dearth of experimental data which examine the fundamental low-temperature ignition (T < 900 K) behavior of toluene resulting in a lack of data for the construction, validation, and interpretation of chemical kinetic models for commercial fuels. In order to gain a better understanding of its combustion chemistry, dimethyl ether (DME) has been used as a radical initiator to induce ignition in this highly knock resistant aromatic, and its influence on the combustion of toluene ignition was studied in both shock tube and rapid compression machines as a function of temperature (624-1459 K), pressure (20-40 atm), equivalence ratio (0.5-2.0), and blending ratio (100% toluene, 76% toluene (76T/24D), 58% toluene (58T/42D), 26% toluene (26T/74D) and 100% DME).
Several literature chemical kinetic models are used to interpret our experimental results. For mixtures containing high concentrations of toluene at low-temperatures none of these are capable of reproducing experiment. This implies an incomplete understanding of the low-temperature oxidation pathways which control its ignition in our experimental reactors, and by extension, in spark-(SI) and compression-ignition (CI) engines, and an updated detailed chemical kinetic model is presented for engineering applications.
Model analyses indicate that although the initial fate of the fuel is dominated by single-step H-atom abstraction reactions from both the benzylic and phenylic sites, the subsequent fate of the allylic and vinylic radicals formed is much more complex. Further experimental and theoretical endeavors are required to gain a holistic qualitative and quantitative chemical kinetics based understanding of the combustion of pure toluene, toluene blends, and commercial fuels containing other aromatic components, at temperatures of relevance to SI and CI engines. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Zhang, Yingjia; Somers, Kieran P.; Curran, Henry J.] Natl Univ Ireland, Combust Chem Ctr, Galway, Ireland.
[Zhang, Yingjia] Xi An Jiao Tong Univ, State Key Lab Multiphase Flow Power Engn, Xian 710049, Peoples R China.
[Somers, Kieran P.; Cracknell, Roger F.] Shell Global Solut, Chester, Cheshire, England.
[Mehl, Marco; Pitz, William J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Zhang, YJ (reprint author), Natl Univ Ireland, Combust Chem Ctr, Galway, Ireland.
EM YINGJIA.ZHANG@nuigalway.ie
FU European Commission [PIAP-GA-2013-610897]; National Natural Science
Foundation of China [91541115]; U.S. Department of Energy, Vehicle
Technologies Office; U.S. Department of Energy by Lawrence Livermore
National Laboratory [DE-AC52-07NA27344]
FX The work at NUI Galway was supported by the European Commission Marie
Curie Transfer of Knowledge Scheme (FP7) pursuant to Contract
PIAP-GA-2013-610897 GENFUEL. The work at Xi'an Jiaotong University was
supported by the National Natural Science Foundation of China (No.
91541115). The work at LLNL was supported by the U.S. Department of
Energy, Vehicle Technologies Office (program managers Gurpreet Singh and
Leo Breton) and performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under Contract
DE-AC52-07NA27344.
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PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 413
EP 421
DI 10.1016/j.proci.2016.06.190
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200037
ER
PT J
AU Sun, WY
Yang, B
Hansen, N
Moshammer, K
AF Sun, Wenyu
Yang, Bin
Hansen, Nils
Moshammer, Kai
TI The influence of dimethoxy methane (DMM)/dimethyl carbonate (DMC)
addition on a premixed ethane/oxygen/argon flame
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Dimethoxy methane (DMM); Dimethyl carbonate (DMC); Flame intermediates;
Blended fuel; Mass spectrometry
ID LOW-PRESSURE FLAMES; MASS-SPECTROMETER; OXYGENATED FUELS; ETHANOL
ADDITION; RADICALS; HYDROCARBON; COMBUSTION; CHEMISTRY
AB Two series of laminar premixed flames fueled by ethane-oxygenate-argon mixtures, in which ethane was incrementally replaced with either dimethoxy methane (DMM) or dimethyl carbonate (DMC) by mole fractions of 25%, 50% and 75%, were investigated at a fixed carbon to oxygen ratio (C/O) of 0.50 and a pressure of 40 mbar. Mole fractions for flame species were obtained by employing molecular-beam mass spectrometry with synchrotron vacuum ultraviolet light for ionization. A detailed kinetic model including the chemistry of ethane, DMM and DMC was constructed and tested against the flame measurements. The effects of the ad-dition of oxygenates to the species pool were studied, especially considering peak mole fractions of harmful emissions and relevant intermediates. The results indicate that the variation behaviors are mainly related to "volume effects" without strong chemical interactions between the fuel pairs. DMM and DMC show com-parable performance in inhibiting soot precursors with the same addition amount. Formaldehyde is a major oxygenated emission in both flame series, almost linearly increasing with the addition of DMM or DMC, which is the consequence of the structural and kinetic characteristics of both oxygenates. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Sun, Wenyu; Yang, Bin] Tsinghua Univ, Dept Thermal Engn, Ctr Combust Energy, Beijing 100084, Peoples R China.
[Sun, Wenyu; Yang, Bin] Tsinghua Univ, Key Lab Thermal Sci & Power Engn MOE, Beijing 100084, Peoples R China.
[Hansen, Nils; Moshammer, Kai] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
RP Yang, B (reprint author), Tsinghua Univ, Dept Thermal Engn, Ctr Combust Energy, Beijing 100084, Peoples R China.
EM byang@tsinghua.edu.cn
RI Yang, Bin/A-7158-2008; Hansen, Nils/G-3572-2012
OI Yang, Bin/0000-0001-7333-0017;
FU National Natural Science Foundation of China [91541113, U1332208]; U.S.
Department of Energy (USDOE), Office of Basic Energy Sciences (BES)
[DE-AC04-94-AL85000]; Office of Science, BES, USDOE [DE-AC02-05CH11231];
National Nuclear Security Administration [DE-AC04-94-AL85000]
FX This work is supported by the National Natural Science Foundation of
China (91541113, U1332208). N.H. and K.M. are supported by the U.S.
Department of Energy (USDOE), Office of Basic Energy Sciences (BES)
under grant no. DE-AC04-94-AL85000. We thank the expert technical
assistance of Paul Fugazzi and model analysis assistance of Shuang Li.
The Advanced Light Source is supported by the Director, Office of
Science, BES, USDOE under contract no. DE-AC02-05CH11231. Sandia is a
multi-program laboratory operated by Sandia Corporation, a Lockheed
Martin Company, for the National Nuclear Security Administration under
contract no. DE-AC04-94-AL85000.
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PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 449
EP 457
DI 10.1016/j.proci.2016.06.145
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200041
ER
PT J
AU Al Rashidi, MJ
Thion, S
Togbe, C
Dayma, G
Mehl, M
Dagaut, P
Pitz, WJ
Zador, J
Sarathy, SM
AF Al Rashidi, Mariam J.
Thion, Sebastien
Togbe, Casimir
Dayma, Guillaume
Mehl, Marco
Dagaut, Philippe
Pitz, William J.
Zador, Judit
Sarathy, S. Mani
TI Elucidating reactivity regimes in cyclopentane oxidation: Jet stirred
reactor experiments, computational chemistry, and kinetic modeling
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Cyclopentane; Jet stirred rector; Species profiles; Modeling
ID SHOCK-TUBE; TEMPERATURE OXIDATION; CYCLOHEXANE; RADICALS; DECOMPOSITION;
IGNITION; AUTOIGNITION; METHYLCYCLOHEXANE; HYDROCARBONS; PRESSURES
AB This study is concerned with the identification and quantification of species generated during the combustion of cyclopentane in a jet stirred reactor (JSR). Experiments were carried out for temperatures between 740 and 1250 K, equivalence ratios from 0.5 to 3.0, and at an operating pressure of 10 atm. The fuel con-centration was kept at 0.1% and the residence time of the fuel/O-2/N-2 mixture was maintained at 0.7 s. The reactant, product, and intermediate species concentration profiles were measured using gas chromatography and Fourier transform infrared spectroscopy. The concentration profiles of cyclopentane indicate inhibition of reactivity between 850-1000 K for phi = 2.0 and phi = 3.0. This behavior is interesting, as it has not been observed previously for other fuel molecules, cyclic or non-cyclic. A kinetic model including both low-and high-temperature reaction pathways was developed and used to simulate the JSR experiments. The pressuredependent rate coefficients of all relevant reactions lying on the PES of cyclopentyl + O-2, as well as the C-C and C-H scission reactions of the cyclopentyl radical were calculated at the UCCSD(T)-F12b/cc-pVTZ-F12//M06-2X/6-311 ++ G(d, p) level of theory. The simulations reproduced the unique reactivity trend of cyclopentane and the measured concentration profiles of intermediate and product species. Sensitivity and reaction path analyses indicate that this reactivity trend may be attributed to differences in the reactivity of allyl radical at different conditions, and it is highly sensitive to the C-C/C-H scission branching ratio of the cyclopentyl radical decomposition. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Al Rashidi, Mariam J.; Sarathy, S. Mani] King Abdullah Univ Sci & Technol, CCRC, Thuwal 23955, Saudi Arabia.
[Thion, Sebastien; Togbe, Casimir; Dayma, Guillaume; Dagaut, Philippe] CNRS INSIS, Inst Combust, Aerotherm, Reactivate & Environm, Ave La Recherche scientist, F-45071 Orleans, France.
[Mehl, Marco; Pitz, William J.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
[Zador, Judit] Sandia Natl Labs, Combust Res Fac, Mail Stop 9055, Livermore, CA 94551 USA.
RP Al Rashidi, MJ (reprint author), King Abdullah Univ Sci & Technol, CCRC, Thuwal 23955, Saudi Arabia.
EM mariam.elrachidi@kaust.edu.sa
FU King Abdullah University of Science and Technology (KAUST); Saudi Aramco
under FUELCOM program; KAUST; U.S. Department of Energy, Office of Basic
Energy Sciences, Division of Chemical Sciences, Geosciences, and
Biosciences; National Nuclear Security Administration
[DE-AC04-94AL85000]; U.S. Department of Energy, Vehicle Technologies
Office; U.S. Department of Energy by Lawrence Livermore National
Laboratories [DE-AC52-07NA27344]
FX This work was funded by King Abdullah University of Science and
Technology (KAUST) and Saudi Aramco under the FUELCOM program. It was
also supported by competitive research funding from KAUST. JZ was
supported by the U.S. Department of Energy, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences.
Sandia is a multi-program laboratory operated by Sandia Corporation, a
Lockheed Martin Company, for the National Nuclear Security
Administration, under contract DE-AC04-94AL85000. The work at LLNL was
supported by the U.S. Department of Energy, Vehicle Technologies Office,
program managers Gurpreet Singh and Leo Breton and was performed under
the auspices of the U.S. Department of Energy by Lawrence Livermore
National Laboratories under contract DE-AC52-07NA27344.
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SN 1540-7489
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J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 469
EP 477
DI 10.1016/j.proci.2016.05.036
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200043
ER
PT J
AU Labbe, NJ
Sivaramakrishnan, R
Goldsmith, CF
Georgievskii, Y
Miller, JA
Klippenstein, SJ
AF Labbe, Nicole J.
Sivaramakrishnan, Raghu
Goldsmith, C. Franklin
Georgievskii, Yuri
Miller, James A.
Klippenstein, Stephen J.
TI Ramifications of including non-equilibrium effects for HCO in flame
chemistry
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Chemical kinetics; Prompt dissociation; CH2O; Combustion modeling;
Laminar flame speed
ID LAMINAR BURNING VELOCITY; PRIMARY REFERENCE FUELS; DIMETHYL ETHER;
THERMAL-DECOMPOSITION; ELEVATED PRESSURES; MARKSTEIN LENGTHS; RATE
COEFFICIENTS; OXYGENATED FUELS; MASTER EQUATION; KINETIC-MODEL
AB The formation and destruction pathways of the formyl radical (HCO) occupy a pivotal role in the con-version of fuel molecules (and their intermediates) to eventual products CO and CO2, and therefore, HCO has been a prescient indicator for heat release in combustion. In this work, we have characterized the impact of including non-equilibrium effects for HCO, i.e. "prompt" dissociation of HCO to H + CO, in simulations of laminar flame speeds for archetypal hydrocarbon and oxygenated molecules relevant to combustion. Prompt dissociation probabilities for HCO were systematically applied to all elementary reactions that included this radical (as either a product or reactant) in literature combustion kinetics models. Simulations with the prompt HCO dissociation corrected models predicted a 7-13% increase in laminar flame speeds at 1 atm for the fuels characterized here (CH4, n-C7H16, CH3OH, CH3OCH3) relative to the predictions using the original models. It is evident that simulations of other fuel-air flames at 1 atm will be similarly impacted, suggesting the indispensability of incorporating these non-equilibrium effects for predictive flame modeling. Simulations of higher pressure (10 atm) heptane-air flames predicted a more modest effect (<5%) of incorporating these non-equilibrium effects. Additionally, species profiles in low-pressure (0.03 atm) flames of CH2O and auto-ignition delay simulations (1.4 atm) for CH2O-O-2-Ar mixtures were also impacted to a noticeable extent. Lastly, it is also worth noting that prompt dissociations are a ubiquitous feature of all weakly-bound radicals; the kinetics of many of which (C2H3, C2H5, CH3O, CH2OH, etc.) are central to our current understanding of combustion chemistry. Theory/modeling studies are in progress to address the relevance of prompt dissociations in these weakly-bound radicals to combustion modeling. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Labbe, Nicole J.; Sivaramakrishnan, Raghu; Georgievskii, Yuri; Miller, James A.; Klippenstein, Stephen J.] Chem Sci & Engn Div, Argonne Natl Lab, Argonne, IL USA.
[Goldsmith, C. Franklin] Brown Univ, Sch Engn, Providence, RI 02912 USA.
RP Sivaramakrishnan, R (reprint author), Chem Sci & Engn Div, Argonne Natl Lab, Argonne, IL USA.
EM raghu@anl.gov
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences
[DE-AC02-06CH11357]; Argonne-Sandia Consortium on High-Pressure
Combustion Chemistry (ANL FWP) [59044]; Brown University
FX This material is based upon work supported by the U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences, and Biosciences under Contract no.
DE-AC02-06CH11357. Support for RS, YG, JAM, and SJK, was provided as
part of the Argonne-Sandia Consortium on High-Pressure Combustion
Chemistry (ANL FWP # 59044). CFG gratefully acknowledges financial
support from his Brown University start-up. NJL thanks Marco Verdicchio
(ANL) for his assistance with code development.
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JI Proc. Combust. Inst.
PY 2017
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BP 525
EP 532
DI 10.1016/j.proci.2016.06.038
PG 8
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200049
ER
PT J
AU Rotavera, B
Savee, JD
Antonov, IO
Caravan, RL
Sheps, L
Osborn, DL
Zador, J
Taatjes, CA
AF Rotavera, Brandon
Savee, John D.
Antonov, Ivan O.
Caravan, Rebecca L.
Sheps, Leonid
Osborn, David L.
Zador, Judit
Taatjes, Craig A.
TI Influence of oxygenation in cyclic hydrocarbons on chain-termination
reactions from R + O-2: tetrahydropyran and cyclohexane
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Lignocellulosic biofuel; Tetrahydropyran; Cyclohexane; Autoignition;
Hydroperoxyl radical HO2
ID GAS-PHASE REACTIONS; RATE CONSTANTS; AUTOIGNITION CHEMISTRY; COMBUSTION
CHEMISTRY; RADICALS; OXIDATION; KINETICS; TETRAHYDROPYRAN; OH;
ABSTRACTION
AB Multiplexed photoionization mass spectrometry (MPIMS) is used to determine branching fractions of conjugate alkenes from R + O-2 oxidation reactions for cyclohexane (c-C6H12) and tetrahydropyran (c-C5H10O), a lignocellulosic-derived oxygenated biofuel. Because conjugate alkene formation is coincident with the formation of HO2, the results reveal the temperature- and pressure-dependent influence of the oxygen heteroatom on chain-termination propensity. The experiments were conducted using Cl-initiated oxidation at 10 and 1520 Torr and from 500 to 700 K, and ab initio calculations of bond energies, saddle point energies, and rate coefficients of unimolecular decomposition of alpha-tetrahydropyranyl were conducted to complement the experiments.
Relative to the initial radical concentration [R](0) the trend in conjugate alkene branching fraction exhibits monotonic positive temperature dependence in both cyclohexane and tetrahydropyran, except for the latter species at 10 Torr where increasing the temperature to 700 K caused an appreciable decrease. The decrease in the branching fraction with increasing temperature in tetrahydropyran oxidation occurs because ring-opening rates of alpha-tetrahydropyranyl radicals, enabled by weak C-O bond dissociation energies, exceed rates of O-2-addition. Ring-opening rate coefficients for a-tetrahydropyranyl, computed from stationary points at the CCSD(T)-F12a/cc-PVDZ//M06-2X/6-311++G** level of theory, confirm that ring-opening at 700 K is favorable and higher oxygen concentrations are required for O-2-addition rates to be significant. With increased temperature and lower [O-2], alpha-tetrahydropyranyl radicals preferentially undergo unimolecular decomposition into the linear radical View the MathML source CH2(CH2)(3)CHO. Conjugate alkene branching fractions measured at 1520 Torr for both cyclohexane and tetrahydropyran followed monotonic positive temperature dependence. The change in the tetrahydropyran trend at 1520 Torr relative to the 10 Torr measurements is ascribed to the increase in oxygen concentration mitigating ring-opening reactions of the initial R radicals.
In contrast to the results at higher temperature, where ring-opening of tetrahydropyranyl radicals interrupts R + O-2 chemistry and reduces the formation of conjugate alkenes, branching fractions measured below 700 K were higher in tetrahydropyran compared to cyclohexane at 10 Torr. The difference suggests that the ether group renders chain-termination pathways more-facile. Saddle point energy calculations on the surfaces of equatorial ROO conformers reveal that the barrier height to direct HO2 formation from a-tetrahydropyranylperoxy is lower by ca. 5 kcal/mol compared to cyclohexylperoxy at the CBS-QB3 level of theory, which facilitates low-temperature chain-termination. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Rotavera, Brandon; Savee, John D.; Antonov, Ivan O.; Caravan, Rebecca L.; Sheps, Leonid; Osborn, David L.; Zador, Judit; Taatjes, Craig A.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
RP Rotavera, B (reprint author), Sandia Natl Labs, Combust Res Facil, Dept Chem, Livermore, CA 94551 USA.
EM Rotavera@uga.edu; CATaatj@Sandia.gov
FU Department of Energy [DE-PI0000012]; U.S.-China Clean Energy Research
Center (CERC) Clean Vehicle Consortium; Office of Chemical Sciences,
Biosciences, and Geosciences, Office of Basic Energy Sciences of the
U.S. Department of Energy (BES/USDOE); Office of Science, BES/USDOE
[DE-AC02-05CH11231]; National Nuclear Security Administration
[DE-AC04-94-AL85000]
FX The work herein is funded by the Department of Energy under Award Number
DE-PI0000012, supported by the U.S.-China Clean Energy Research Center
(CERC) Clean Vehicle Consortium. DLO and the development and maintenance
of the PIMS kinetics machine is supported by Office of Chemical
Sciences, Biosciences, and Geosciences, Office of Basic Energy Sciences,
of the U.S. Department of Energy (BES/USDOE). The Advanced Light Source
is supported by the Director, Office of Science, BES/USDOE under
Contract DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory.
Sandia is a multi-program laboratory operated by Sandia Corporation, a
Lockheed Martin Company, for the National Nuclear Security
Administration under contract DE-AC04-94-AL85000.
NR 27
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SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 597
EP 606
DI 10.1016/j.proci.2016.05.020
PG 10
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200057
ER
PT J
AU Khalil, M
Chowdhary, K
Safta, C
Sargsyan, K
Najm, HN
AF Khalil, M.
Chowdhary, K.
Safta, C.
Sargsyan, K.
Najm, H. N.
TI Inference of reaction rate parameters based on summary statistics from
experiments
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Uncertainty quantification; Bayesian inference; Reaction rates;
Arrhenius parameters; Shock tube experiments
ID COMBUSTION KINETIC-MODELS; UNCERTAINTY QUANTIFICATION; SHOCK-TUBE;
PROPAGATION; OPTIMIZATION; OXIDATION
AB We present the results of an application of Bayesian inference and maximum entropy methods for the estimation of the joint probability density for the Arrhenius rate parameters of the rate coefficient of the H-2/O-2-mechanism chain branching reaction H+O-2 -> OH+O. Available published data is summary statistics in terms of nominal values and error bars of the rate coefficient of this reaction at a number of temperature values obtained from shock-tube experiments. Our approach relies on generating data, in this case OH concentration profiles, consistent with the given summary statistics, using Approximate Bayesian Computation methods and a Markov chain Monte Carlo procedure. The approach permits the forward propagation of parametric uncertainty through the computational model in a manner that is consistent with the published statistics. A consensus joint posterior on the parameters is obtained by pooling the posterior parameter densities given each consistent data set. To expedite this process, we construct efficient surrogates for the OH concentration using a combination of Pade and polynomial approximants. These surrogate models adequately represent forward model observables and their dependence on input parameters and are computationally efficient to allow their use in the Bayesian inference procedure. We also utilize Gauss-Hermite quadrature with Gaussian proposal probability density functions for moment computation resulting in orders of magnitude speedup in data likelihood evaluation. Despite the strong non-linearity in the model, the consistent data sets all result in nearly Gaussian conditional parameter probability density functions. The technique also accounts for nuisance parameters in the form of Arrhenius parameters of other rate coefficients with prescribed uncertainty. The resulting pooled parameter probability density function is propagated through stoichiometric hydrogen-air auto-ignition computations to illustrate the need to account for correlation among the Arrhenius rate parameters of one reaction and across rate parameters of different reactions. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Khalil, M.; Chowdhary, K.; Safta, C.; Sargsyan, K.; Najm, H. N.] Sandia Natl Labs, Combust Res Facil, 7011 East Ave,Mail Stop 9051, Livermore, CA 94551 USA.
RP Khalil, M (reprint author), Sandia Natl Labs, Combust Res Facil, 7011 East Ave,Mail Stop 9051, Livermore, CA 94551 USA.
EM mkhalil@sandia.gov
FU US Department of Energy (DOE), Office of Basic Energy Sciences (BES)
Division of Chemical Sciences, Geosciences, and Biosciences; U.S.
Department of Energy [DE-AC04-94-AL85000]
FX This work was supported by the US Department of Energy (DOE), Office of
Basic Energy Sciences (BES) Division of Chemical Sciences, Geosciences,
and Biosciences. Sandia National Laboratories is a multiprogram
laboratory operated by Sandia Corporation, a Lockheed Martin Company,
for the U.S. Department of Energy under contract DE-AC04-94-AL85000.
NR 27
TC 0
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U1 0
U2 0
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 699
EP 708
DI 10.1016/j.proci.2016.08.058
PG 10
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200068
ER
PT J
AU Michelsen, HA
AF Michelsen, H. A.
TI Probing soot formation, chemical and physical evolution, and oxidation:
A review of in situ diagnostic techniques and needs
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Review
DE Soot; Diagnostics; Formation; Oxidation; Properties
ID LASER-INDUCED-INCANDESCENCE; LAMINAR DIFFUSION FLAMES; X-RAY-SCATTERING;
POLYCYCLIC AROMATIC-HYDROCARBONS; TRANSMISSION ELECTRON-MICROSCOPY;
VOLUME FRACTION MEASUREMENTS; ANGLE NEUTRON-SCATTERING; FRAGMENTATION
FLUORESCENCE SPECTROSCOPY; COMBUSTION-FORMED NANOPARTICLES; PREMIXED
ETHYLENE/AIR FLAMES
AB Soot is responsible for notoriously detrimental effects on human health, air quality, and global and regional climate. Controlling soot emissions to the atmosphere will require overcoming large gaps in the understanding of soot formation and physical and chemical evolution during combustion. These gaps in understanding are largely attributable to the complexity of the chemical and physical system combined with a paucity of diagnostic techniques available for probing soot non-invasively and under a wide range of combustion conditions. This review briefly summarizes the chemistry of soot formation and evolution during combustion and describes diagnostic tools that are available to make these measurements. Despite the availability and value of a host of ex situ particle diagnostic techniques, because of space limitations, this review is restricted to a discussion of in situ diagnostic methods. The review concludes with a brief discussion of needs for new diagnostic tools to probe soot chemistry. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Michelsen, H. A.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA.
RP Michelsen, HA (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA.
EM hamiche@sandia.gov
FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of
Basic Energy Sciences, US Department of Energy; DOE's National Nuclear
Security Administration [DE-AC04-94AL85000]
FX I am very grateful to Profs. Peter Glarborg and Assaad Masri for
inviting me to give this Topical Review Lecture and write the associated
review paper. I thank Dr. K. Olof Johansson for help generating Fig. 1
and for insightful comments, Prof. Hai Wang, Dr. Matthew Campbell, Dr.
Farid El Gabaly, and Prof. Houston Miller for carefully reading this
manuscript and making very helpful suggestions, and Dr. Chris Shaddix
for sharing his references on radiative-heat transfer with me. This work
was funded by the Division of Chemical Sciences, Geosciences, and
Biosciences, the Office of Basic Energy Sciences, the US Department of
Energy. Sandia National Laboratories is a multi-mission laboratory
managed and operated by Sandia Corporation, a wholly owned subsidiary of
Lockheed Martin Corporation, for the DOE's National Nuclear Security
Administration under contract DE-AC04-94AL85000
NR 308
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PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 717
EP 735
DI 10.1016/j.proci.2016.08.027
PG 19
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200070
ER
PT J
AU Johansson, KO
Dillstrom, T
Elvati, P
Campbell, MF
Schrader, PE
Popolan-Vaida, DM
Richards-Henderson, NK
Wilson, KR
Violi, A
Michelsen, HA
AF Johansson, K. Olof
Dillstrom, Tyler
Elvati, Paolo
Campbell, Matthew F.
Schrader, Paul E.
Popolan-Vaida, Denisia M.
Richards-Henderson, Nicole K.
Wilson, Kevin R.
Violi, Angela
Michelsen, Hope A.
TI Radical-radical reactions, pyrene nucleation, and incipient soot
formation in combustion
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Incipient soot; Ethylene flame; PAH; Radical reactions; Pyrene
ID AROMATIC-HYDROCARBON CLUSTERS; BLACK CARBON; PRECURSOR PARTICLES;
DIFFUSION FLAMES; DIMERIZATION; AEROSOLS; CLIMATE; HEALTH; MECHANISM;
LAMINAR
AB We present a combined experimental and probabilistic simulation study of soot-precursor. The experiments were conducted using aerosol mass spectrometry coupled with tunable vacuum ultraviolet radiation from the Advanced Light Source at Lawrence Berkeley National Laboratory. Mass spectra and photoionization efficiency (PIE) curves of soot precursor species were measured at different heights in a premixed flat flame and in a counter-flow diffusion flame fueled by ethylene and oxygen. The PIE curves at the pyrene mass from these flames were compared with reference PIE scans recorded for pyrene. The results demonstrate that other C16H10 isomers than pyrene are major components among species condensed onto incipient soot in this study, which is in agreement with the simulations. Species with mass 202 u only have a high prevalence in incipient soot particles drawn from the premixed flame, but hydrocarbon species with sizes in the range 200-400 u are important to incipient-soot formation in both flames. The simulations predict that some species form through combination reactions involving relatively large radicals and bypass traditional molecular-growth pathways through addition of small hydrocarbon species. The experimental results support this prediction; they demonstrate that these species have higher relative abundances in particles formed close to the fuel out-let than smaller, lighter molecular species and indicate that these species are important to early formation of incipient-soot precursors. The results also imply that a leading role in incipient-soot precursor formation is played by species with lower thermal stability than the even-carbon numbered, unsubstituted polycyclic aromatic hydrocarbons known as "stabilomers". (C) 2016byTheCombustionInstitute. PublishedbyElsevierInc.
C1 [Johansson, K. Olof; Campbell, Matthew F.; Schrader, Paul E.; Michelsen, Hope A.] Sandia Natl Labs, Combust Res Facil, POB 969,MS 9055, Livermore, CA 94551 USA.
[Dillstrom, Tyler; Elvati, Paolo; Violi, Angela] Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA.
[Popolan-Vaida, Denisia M.; Richards-Henderson, Nicole K.; Wilson, Kevin R.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Popolan-Vaida, Denisia M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Violi, Angela] Univ Michigan, Dept Chem Engn, Ann Arbor, MI 48109 USA.
[Violi, Angela] Univ Michigan, Dept Biomed Engn, Ann Arbor, MI 48109 USA.
[Violi, Angela] Univ Michigan, Dept Macromol Sci, Ann Arbor, MI 48109 USA.
[Violi, Angela] Univ Michigan, Dept Engn, Biophys Program, Ann Arbor, MI 48109 USA.
RP Michelsen, HA (reprint author), Sandia Natl Labs, Combust Res Facil, POB 969,MS 9055, Livermore, CA 94551 USA.
EM hamiche@sandia.gov
OI Violi, Angela/0000-0001-9517-668X
FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES);
Single Investigator Small Group Research (SISGR) [DE-SC0002619]; DOE,
BES, the Division of Chemical Sciences, Geosciences, and Biosciences;
DOE BES [DE-AC02-05CH11231]; Alexander von Humboldt Foundation; DOE's
National Nuclear Security Administration [DE-AC04-94-AL85000]
FX This work was funded by the U.S. Department of Energy (DOE), Office of
Basic Energy Sciences (BES). AV, TD, and KOJ were supported under the
Single Investigator Small Group Research (SISGR), grant no.
DE-SC0002619. MFC, PES, and HAM and experimental expenses, including
burner design and construction, were supported by DOE, BES, the Division
of Chemical Sciences, Geosciences, and Biosciences. Measurements were
performed at the LBNL ALS. The ALS, NKRH, and KRW were supported by the
Director, DOE BES, under contract no. DE-AC02-05CH11231. DMPV is
grateful to the Alexander von Humboldt Foundation for a Feodor Lynen
fellowship. Sandia National Laboratories is a multi-mission laboratory
managed and operated by Sandia Corporation, a wholly owned subsidiary of
Lockheed Martin Company, for the DOE's National Nuclear Security
Administration under contract no. DE-AC04-94-AL85000
NR 37
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U1 1
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PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 799
EP 806
DI 10.1016/j.proci.2016.07.130
PG 8
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200078
ER
PT J
AU Das, DD
Cannella, WJ
McEnally, CS
Mueller, CJ
Pfefferle, LD
AF Das, Dhrubajyoti D.
Cannella, William J.
McEnally, Charles S.
Mueller, Charles J.
Pfefferle, Lisa D.
TI Two-dimensional soot volume fraction measurements in flames doped with
large hydrocarbons
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Diesel surrogates; Color-ratio pyrometry; YSI
ID FLOW DIFFUSION FLAME; DIGITAL CAMERA; RECONSTRUCTION; IMAGES
AB Developing diesel surrogates that mimic the essential characteristics of target fuels such as their sooting tendency and volatility is a necessary but challenging endeavor, owing in part to the scarcity of available experimental sooting data for compounds in the appropriate high molecular weight range. To address this, in this work we demonstrate an experimental approach which provides quantitative sooting data for such compounds. Specifically, we have measured spatially resolved two-dimensional soot volume fraction distributions for three large hydrocarbons: 1,3,5-triisopropylbenzene (TIPB), 1,3,5-triisopropylcyclohexane (TIPCX), and perhydrophenanthrene (PHP), as well as benzene and n -hexane. Measurements were performed in methane/air coflowing flames whose fuel was doped separately with these compounds (dopant mass fraction 0.5%). Colorratio pyrometry was used to measure soot temperature and soot volume fraction distributions. Sooting ten-dencies were TIPB > benzene > PHP > TIPCX > hexane. These data are expected to be useful in formulation of surrogates with greater fidelity to the volatility and sooting characteristics of real diesel, and in validation of numerical soot models involving such surrogates. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Das, Dhrubajyoti D.; McEnally, Charles S.; Pfefferle, Lisa D.] Yale Univ, 9 Hillhouse Ave, New Haven, CT 06511 USA.
[Cannella, William J.] Chevron Energy Technol Co, Div Chevron USA, Richmond, CA 94802 USA.
[Mueller, Charles J.] Sandia Natl Labs, 7011 East Ave, Livermore, CA 94550 USA.
RP Das, DD (reprint author), Yale Univ, 9 Hillhouse Ave, New Haven, CT 06511 USA.
EM dhrubajyoti.das@yale.edu
FU National Science Foundation/US Department of Energy Partnership on
Advanced Combustion Engines [1258654]; US Department of Energy's
National Nuclear Security Administration [DE-AC04-94AL85000]
FX We appreciate assistance from Jeffrey Gau, Bolun Liu, Thomas Kwan, and
Nicholas Bernardo in conducting these experiments, useful discussions
with Davide Giassi, Nathan Kempema, and Marshall Long, and financial
support from the National Science Foundation/US Department of Energy
Partnership on Advanced Combustion Engines (1258654). C.J.M's portion of
the research was conducted at the Combustion Research Facility, Sandia
National Laboratories, Livermore, California. Sandia is a multi-program
laboratory operated by Sandia Corporation, a Lockheed Martin Company,
for the US Department of Energy's National Nuclear Security
Administration under contract DE-AC04-94AL85000
NR 31
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PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 871
EP 879
DI 10.1016/j.proci.2016.06.047
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200086
ER
PT J
AU Mebel, AM
Georgievskii, Y
Jasper, AW
Klippenstein, SJ
AF Mebel, Alexander M.
Georgievskii, Yuri
Jasper, Ahren W.
Klippenstein, Stephen J.
TI Temperature- and pressure-dependent rate coefficients for the HACA
pathways from benzene to naphthalene
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Hydrogen-Abstraction-C2H2-Addition (HACA); Naphthalene; Reaction
mechanisms; PAH; Soot
ID POLYCYCLIC AROMATIC-HYDROCARBONS; SOOT FORMATION; MASTER EQUATION;
PREMIXED FLAMES; ALIPHATIC FUELS; PAH FORMATION; ACETYLENE; KINETICS;
MECHANISM; GROWTH
AB RRKM-Master Equation calculations have been performed to evaluate temperature-and pressure-dependent rate coefficients for acetylene addition reactions to the C6H5, C6H4C2H, C6H5C2H2, and C6H4C2H3 radicals. These calculations indicate a strong pressure dependence for the role of various Hydrogen-Abstraction-C2H2-Addition (HACA) sequences for the formation of naphthalene from benzene. At atmospheriCand lower pressures the C8H7 radicals, C6H4C2H3 and C6H5C2H2, cannot be stabilized above 1650 K. As a result, both the Bittner-Howard HACA route, in which a second acetylene molecule adds to C6H5C2H2, and the modified Frenklach route, where a second C2H2 adds to the aromatic ring of C6H4C2H3 obtained by internal hydrogen abstraction, are unrealistic under low pressure flame conditions. At the higher pressures of some practical combustion devices (e.g., 100 atm) these routes may be operative. Naphthalene is predicted to be the main product of the C6H5C2H2 + C2H2 and C6H4C2H3 + C2H2 reactions in the entire 500-2500 K temperature range independent of pressure (ignoring the issues related to the instability of C8H7 species). Frenklach's original HACA route, where the second C2H2 molecule adds to the aromatic ring activated by intermolecular H abstraction from C8H6, involves the C6H4C2H + C2H2 reaction, which is shown to predominantly form dehydrogenated species with a naphthalene core (naphthyl radicals or naphthynes) at T < 2000 K and diethynylbenzene at higher temperatures. The temperature and pressure dependence of rate coefficients for the various reaction channels has been analyzed and the results clearly demonstrate the importance of pressure for the reaction outcome. Thus, one must use caution when using low-pressure flame studies to validate PAH mechanisms for use in broader ranges of pressure. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Mebel, Alexander M.] Florida Int Univ, Dept Chem & Biochem, 11200 SW 8th St CP 3332, Miami, FL 33199 USA.
[Georgievskii, Yuri; Klippenstein, Stephen J.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Jasper, Ahren W.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
RP Mebel, AM (reprint author), Florida Int Univ, Dept Chem & Biochem, 11200 SW 8th St CP 3332, Miami, FL 33199 USA.
EM mebela@fiu.edu
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences
(at FIU) [DE-FG02-04ER15570]; ANL [DE-AC02-06CH11357]; AIT-STME project
as part of the Predictive Theory and Modeling component of the Materials
Genome Initiative
FX This material is based on work supported by the U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences, and Biosciences (at FIU under Grant No.
DE-FG02-04ER15570 and at ANL under Contract No. DE-AC02-06CH11357).
Software development was supported by the AIT-STME project as part of
the Predictive Theory and Modeling component of the Materials Genome
Initiative. A.M.M. acknowledges partial support from ANL during his
sabbatical leave in January-May, 2015. We thank Jim Miller and Raghu
Sivaramakrishnan for helpful discussions.
NR 30
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PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 919
EP 926
DI 10.1016/j.proci.2016.07.013
PG 8
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200091
ER
PT J
AU Moshammer, K
Seidel, L
Wang, Y
Selim, H
Sarathy, SM
Mauss, F
Hansen, N
AF Moshammer, Kai
Seidel, Lars
Wang, Yu
Selim, Hatem
Sarathy, S. Mani
Mauss, Fabian
Hansen, Nils
TI Aromatic ring formation in opposed-flow diffusive 1,3-butadiene flames
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE 1,3-Butadiene; Diffusion flame; Mass spectrometry; Modeling; PAH
formation
ID COMBUSTION CHEMISTRY; BENZENE FORMATION; HYDROCARBON FORMATION;
ACETYLENE; OXIDATION; RADICALS; MODEL
AB This paper is concerned with the formation of one-and two-ring aromatic species in near atmospheric-pressure opposed-flow diffusion flames of 1,3-butadiene (1,3-C4H6). The chemical structures of two different 1,3-C4H6/Ar-O-2/Ar flames were explored using flame-sampling molecular-beam mass spectrometry with both electron and single-photon ionization. We provide mole fraction profiles of 47 components as function of distance from the fuel outlet and compare them to chemically detailed modeling results. To this end, the hierarchically developed model described by Seidel et al. [16] has been updated to accurately comprise the chemistry of 1,3-butadiene. Generally a very good agreement is observed between the experimental and modeling data, allowing for a meaningful reaction path analysis. With regard to the formation of aromatic species up to naphthalene, it was essential to improve the fulvene and the C-5 chemistry description in the mechanism. In particular, benzene is found to be formed mainly via fulvene through the reactions of the C4H5 isomers with C2H2. The n-C4H5 radical reacts with CH3 forming 1,3-pentadiene (C5H8), which is subsequently oxidized to form the naphthalene precursor cyclopentadienyl (C5H5). Oxidation of naphthalene is predicted to be a contributor to the formation of phenylacetylene (C8H6), indicating that consumption reactions can be of similar importance as molecular growth reactions. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Moshammer, Kai; Hansen, Nils] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
[Seidel, Lars; Mauss, Fabian] Brandenburg Tech Univ Cottbus, Thermodynam & Thermal Proc Engn, Siemens Halske Ring 8, D-03046 Cottbus, Germany.
[Wang, Yu; Selim, Hatem; Sarathy, S. Mani] King Abdullah Univ Sci & Technol, Clean Combust Res Ctr, Thuwal 239556900, Saudi Arabia.
[Wang, Yu] Wuhan Univ Technol, Sch Automot Engn, Wuhan 430070, Peoples R China.
[Selim, Hatem] GE Power, Atlanta, GA USA.
RP Hansen, N (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
EM hatem.selim@ge.com; nhansen@sandia.gov
RI Hansen, Nils/G-3572-2012
FU U.S. Department of Energy (DOE), Office of Science, Office of Basic
Energy Sciences; King Abdullah University of Science and Technology;
Office of Science, Office of Basic Energy Sciences, of the U.S. DOE
[DEAC02-05CH11231]; National Nuclear Security Administration
[DE-AC04-94-AL85000]
FX This material is based upon work supported by the U.S. Department of
Energy (DOE), Office of Science, Office of Basic Energy Sciences. We
thank Paul Fugazzi for technical assistance. YW, HS, and SMS acknowledge
funding from King Abdullah University of Science and Technology. The
Advanced Light Source is supported by the Director, Office of Science,
Office of Basic Energy Sciences, of the U.S. DOE under contract no.
DEAC02-05CH11231. Sandia is a multi-program laboratory operated by
Sandia Corporation, a Lockheed Martin Company, for the National Nuclear
Security Administration under contract DE-AC04-94-AL85000.
NR 34
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PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 947
EP 955
DI 10.1016/j.proci.2016.09.010
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200094
ER
PT J
AU Knyazkov, DA
Gerasimov, IE
Hansen, N
Shmakov, AG
Korobeinichev, OP
AF Knyazkov, D. A.
Gerasimov, I. E.
Hansen, N.
Shmakov, A. G.
Korobeinichev, O. P.
TI Photoionization mass spectrometry and modeling study of a low-pressure
premixed flame of ethyl pentanoate (ethyl valerate)
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Biofuel; Ethyl pentanoate; Premixed flame; Molecular-beam mass
spectrometry; Chemical kinetic modeling
ID JET-STIRRED REACTOR; SMALL ALKYL ESTERS; COMBUSTION CHEMISTRY;
OXIDATION; METHYL; MECHANISM
AB In order to get insight into the decomposition and high-temperature oxidation kinetics of ethyl pentanoate in combustion processes, a stoichiometric premixed burner-stabilized flame of ethyl pentanoate/O-2/Ar mixture at low pressure (20 Torr) was investigated by molecular-beam mass spectrometry combined with single-photon ionization by vacuum ultraviolet radiation from the Advanced Light Source (ALS) in Berkeley, CA, USA. Mole fraction profiles of 43 species were measured in the flame and compared with those calculated using a detailed chemical kinetic mechanism proposed by Dayma et al. (2012) for ethyl pentanoate oxidation. Although mole fraction profiles of major species and several intermediates were predicted quite accurately by the model, significant discrepancies between the measured and modeled peak mole fractions of many intermediates in the flame were observed. A kinetic analysis of the main reaction pathways of ethyl pentanoate oxidation was performed to trace the origins of these discrepancies. It was concluded that the reaction pathways responsible for consumption of primary radicals formed directly from the fuel molecule as well as of the products of successive beta-scission reactions should be revised when developing a next-generation combustion model for ethyl pentanoate. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Knyazkov, D. A.; Gerasimov, I. E.; Shmakov, A. G.; Korobeinichev, O. P.] Voevodsky Inst Chem Kinet & Combust SB RAS, Novosibirsk 630090, Russia.
[Knyazkov, D. A.; Shmakov, A. G.] Novosibirsk State Univ, Novosibirsk 630090, Russia.
[Hansen, N.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
RP Gerasimov, IE (reprint author), Voevodsky Inst Chem Kinet & Combust SB RAS, Novosibirsk 630090, Russia.
EM gerasimov@kinetics.nsc.ru
RI Hansen, Nils/G-3572-2012
FU Russian Foundation of Basic Research [15-08-05553]; U.S. Department of
Energy (USDOE), Office of Basic Energy Sciences (BES)
[DE-AC04-94-AL85000]; Office of Science, BES, USDOE [DE-AC02-05CH11231];
National Nuclear Security Administration [DE-AC04-94-AL85000]
FX This study was supported by the Russian Foundation of Basic Research
(Grant no. 15-08-05553). NH is supported by the U.S. Department of
Energy (USDOE), Office of Basic Energy Sciences (BES) under Grant no.
DE-AC04-94-AL85000. The Advanced Light Source is supported by the
Director, Office of Science, BES, USDOE under Contract no.
DE-AC02-05CH11231. Sandia is a multi-program laboratory operated by
Sandia Corporation, a Lockheed Martin Company, for the National Nuclear
Security Administration under Contract DE-AC04-94-AL85000.
NR 25
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PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 1185
EP 1192
DI 10.1016/j.proci.2016.07.038
PG 8
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200119
ER
PT J
AU Sun, WY
Wang, GQ
Li, S
Zhang, RZ
Yang, B
Yang, JZ
Li, YY
Westbrook, CK
Law, CK
AF Sun, Wenyu
Wang, Guoqing
Li, Shuang
Zhang, Ruzheng
Yang, Bin
Yang, Jiuzhong
Li, Yuyang
Westbrook, Charles K.
Law, Chung K.
TI Speciation and the laminar burning velocities of poly(oxymethylene)
dimethyl ether 3 (POMDME3) flames: An experimental and modeling study
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Poly(oxymethylene) dimethyl ether (POMDME); Laminar burning velocity;
Laminar premixed flame; Synchrotron vacuum ultra-violet photoionization
mass spectrometry (SVUV-PIMS); Kinetic modeling
ID PHOTOIONIZATION CROSS-SECTIONS; SHOCK-TUBE; DECOMPOSITION; COMBUSTION;
OXIDATION; DIMETHOXYMETHANE; RADICALS; HYDROCARBON; MECHANISM; ALKYL
AB Poly(oxymethylene) dimethyl ethers (POMDMEs) with the general chemical formula of CH3O (CH2O)(n)CH3 (n > 1) are promising oxygenated alternative fuels with substantial soot-reduction potential. Combustion kinetics of the compound with n = 3, POMDME3 [CH3O(CH2O)(3)CH3], was investigated in the present study with combined experimental and modeling efforts. Twenty-six species, including some radicals and reactive intermediates, were identified and quantified in a low-pressure laminar premixed POMDME 3 flame with a synchrotron vacuum ultraviolet photoionization mass spectrometry. Laminar burning velocities of POMDME3/air mixtures were measured in a spherical bomb at atmospheric pressure with the equivalence ratio ranging from 0.7 to 1.6. A kinetic model aimed at interpreting the high-temperature combustion chemistry of POMDME3 was constructed and tested by all the measurements with uncertainties of both experiments and model predictions taken into consideration. In addition, model analysis of the reaction pathways was performed to reveal the consumption processes of POMDME3 and the formation mecha-nisms of some crucial intermediates. The absence of carbon-carbon (C-C) bonds in the (C-O) chain structure results in significant soot-reduction potential. Relevant reaction patterns could also apply to larger POMDME compounds. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Sun, Wenyu; Zhang, Ruzheng; Yang, Bin; Law, Chung K.] Tsinghua Univ, Ctr Combust Energy, Beijing 100084, Peoples R China.
[Sun, Wenyu; Zhang, Ruzheng; Yang, Bin; Law, Chung K.] Tsinghua Univ, Dept Thermal Engn, Beijing 100084, Peoples R China.
[Wang, Guoqing; Li, Shuang; Yang, Jiuzhong] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China.
[Li, Yuyang] Shanghai Jiao Tong Univ, Key Lab Power Machinery & Engn MOE, Shanghai 200240, Peoples R China.
[Westbrook, Charles K.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Law, Chung K.] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA.
RP Yang, B (reprint author), Tsinghua Univ, Ctr Combust Energy, Beijing 100084, Peoples R China.; Yang, B (reprint author), Tsinghua Univ, Dept Thermal Engn, Beijing 100084, Peoples R China.
EM byang@tsinghua.edu.cn
RI Yang, Bin/A-7158-2008
OI Yang, Bin/0000-0001-7333-0017
FU Natural Science Foundation of China [91541113, 51306102]
FX This study is supported by the Natural Science Foundation of China
(91541113 and 51306102). The authors greatly appreciate the support from
Professor Fei Qi and gratefully acknowledge National Synchrotron
Radiation Laboratory (NSRL) of China for the beam time for the
experiment.
NR 42
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PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 1269
EP 1278
DI 10.1016/j.proci.2016.05.058
PG 10
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200128
ER
PT J
AU Tao, T
Sun, WY
Yang, B
Hansen, N
Moshammer, K
Law, CK
AF Tao, Tao
Sun, Wenyu
Yang, Bin
Hansen, Nils
Moshammer, Kai
Law, Chung K.
TI Investigation of the chemical structures of laminar premixed flames
fueled by acetaldehyde
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Acetaldehyde; Laminar premixed flames; Photoionization mass
spectrometry; Flame intermediates
ID PHOTOIONIZATION MASS-SPECTROMETRY; LOW-PRESSURE FLAMES;
HIGH-TEMPERATURE; COMBUSTION CHEMISTRY; CROSS-SECTIONS; SHOCK-TUBE;
N-BUTANOL; OXIDATION; HYDROCARBON; IDENTIFICATION
AB Acetaldehyde is a key intermediate formed during the combustion of hydrocarbon and oxygenated fuels, and its role as an air pollution is concern-arousing. A better understanding of its combustion characteristics is of significance in developing core mechanisms and reducing the associated emissions. In this work, chemical structures of low-pressure laminar premixed acetaldehyde flames with equivalence ratios of 1.7 and 1.0 were measured by employing molecular-beam mass spectrometry with synchrotron vacuum ultraviolet light for ionization. Totally, about 40 species were identified and their mole fraction profiles are reported with well estimated uncertainty. To our knowledge, some oxygenated species, such as ethenol and butanal, were measured for the first time in acetaldehyde flames. Experimental species mole fraction profiles were compared with modeling results using several available kinetic mechanisms. These mechanisms well reproduce the mole fraction profiles of the major species and the C-1/C-2 hydrocarbon intermediates, however, their unsatisfactory predictive capability for some fuel-related oxygenated intermediates, such as C2H3O isomers, suggests that the acetaldehyde sub-mechanism needs further investigation. Our experimental results provide valuable information for future mechanism development. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Tao, Tao; Sun, Wenyu; Yang, Bin; Law, Chung K.] Tsinghua Univ, Ctr Combust Energy, Beijing 100084, Peoples R China.
[Tao, Tao; Sun, Wenyu; Yang, Bin; Law, Chung K.] Tsinghua Univ, Dept Thermal Engn, Beijing 100084, Peoples R China.
[Tao, Tao; Sun, Wenyu; Yang, Bin] Tsinghua Univ, Key Lab Thermal Sci & Power Engn MOE, Beijing 100084, Peoples R China.
[Hansen, Nils; Moshammer, Kai] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
[Law, Chung K.] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA.
RP Yang, B (reprint author), Tsinghua Univ, Ctr Combust Energy, Beijing 100084, Peoples R China.
EM byang@tsinghua.edu.cn
RI Yang, Bin/A-7158-2008; Hansen, Nils/G-3572-2012
OI Yang, Bin/0000-0001-7333-0017;
FU Natural Science Foundation of China [51306102, U1332208]; U.S.
Department of Energy (USDOE), Office of Basic Energy Sciences (BES)
[DE-AC04-94-AL85000]; Office of Science, BES, USDOE [DE-AC02-05CH11231];
National Nuclear Security Administration [DE-AC04-94-AL85000]
FX This work is supported by the Natural Science Foundation of China
(51306102, U1332208). NH and KM are supported by the U.S. Department of
Energy (USDOE), Office of Basic Energy Sciences (BES) under Grant no.
DE-AC04-94-AL85000. We thank the expert technical assistance of Paul
Fugazzi. The Advanced Light Source is supported by the Director, Office
of Science, BES, USDOE under Contract no. DE-AC02-05CH11231. Sandia is a
multi-program laboratory operated by Sandia Corporation, a Lockheed
Martin Company, for the National Nuclear Security Administration under
contract DE-AC04-94-AL85000.
NR 32
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PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 1287
EP 1294
DI 10.1016/j.proci.2016.05.030
PG 8
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200130
ER
PT J
AU Braun-Unkhoff, M
Hansen, N
Methling, T
Moshammer, K
Yang, B
AF Braun-Unkhoff, M.
Hansen, N.
Methling, T.
Moshammer, K.
Yang, B.
TI The influence of i-butanol addition to the chemistry of premixed
1,3-butadiene flames
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE 1,3-butadiene; i-butanol; biofuel; combustion; modeling
ID COMBUSTION CHEMISTRY; BENZENE FORMATION; N-PENTANOL; PATHWAYS; RADICALS;
SYNCHROTRON; PYROLYSIS; OXIDATION; FORMATE; ATOMS
AB Chemical structures of three low-pressure premixed flames of 1,3-butadiene/i-butanol mixtures with dif-ferent ratios of 1,3-butadiene and i-butanol were investigated experimentally with flame-sampling molecularbeam mass spectrometry and numerically by chemically detailed modeling. Partially isomer-resolved mole fraction profiles of approximately 70 components per flame were determined using the well-established single-photon ionization technique via easily tunable synchrotron-generated vacuum-ultraviolet photons. The used chemical-kinetic reaction model is based on the work of Hansen et al. [Proc. Combust. Inst. 35 (2015) 771778] of complementary 1,3-butadiene/n-butanol mixture flames. Within the present study, the reaction model has been significantly updated and simultaneously extended, to include the high-temperature oxidation chem-istry of i-butanol. It is shown, by referring to both experimental and modeling results, that the concentration of benzene depends on the amount of 1,3-butadiene in the fuel mixture, indicating that i-butanol chemistry is not adding significantly towards aromatic ring formation. Trends in the concentration of other intermediates can also be largely predicted based on the established oxidation of 1,3-butadiene and i-butanol, thus revealing no detectible cross-linkages between the intermediate pools of the individual fuel components. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Braun-Unkhoff, M.; Methling, T.] German Aerosp Ctr DLR, Inst Combust Technol, D-70569 Stuttgart, Germany.
[Hansen, N.; Moshammer, K.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
[Yang, B.] Tsinghua Univ, Ctr Combust Energy, Beijing 100084, Peoples R China.
[Yang, B.] Tsinghua Univ, Dept Thermal Engn, Beijing 100084, Peoples R China.
RP Braun-Unkhoff, M (reprint author), German Aerosp Ctr DLR, Inst Combust Technol, D-70569 Stuttgart, Germany.; Hansen, N (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
EM marina.braun-unkhoff@dlr.de; nhansen@sandia.gov
RI Yang, Bin/A-7158-2008; Hansen, Nils/G-3572-2012
OI Yang, Bin/0000-0001-7333-0017;
FU DAAD (Deutscher Akademischer Austauschdienst) [56025647]; U.S.
Department of Energy (USDOE), Office of Basic Energy Sciences (BES)
[DE-AC04-94-AL85000]; National Natural Science Foundation of China
[91541113, U1332208]; Office of Science, BES, USDOE [DE-AC02-05CH11231];
National Nuclear Security Administration [DE-AC04-94-AL85000]
FX The work is supported by the DAAD (Deutscher Akademischer
Austauschdienst) under Grant no. 56025647. MBU and TM are grateful to
the assistance of M. Dietrich and S. Riebl. NH and KM are supported by
the U.S. Department of Energy (USDOE), Office of Basic Energy Sciences
(BES) under Grand no. DE-AC04-94-AL85000. BY is supported by National
Natural Science Foundation of China (91541113 and U1332208). The
measurements were performed within the "Flame Team" collaboration at the
Advanced Light Source (ALS), Lawrence Berkeley National Laboratory,
Berkeley, USA. The experiments have profited from the expert technical
assistance of Paul Fugazzi. The Advanced Light Source is supported by
the Director, Office of Science, BES, USDOE under Contract no.
DE-AC02-05CH11231. Sandia is a multi-program laboratory operated by
Sandia Corporation, a Lockheed Martin Company, for the National Nuclear
Security Administration under contract DE-AC04-94-AL85000.
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SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 1
BP 1311
EP 1319
DI 10.1016/j.proci.2016.05.029
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP6BY
UT WOS:000397464200133
ER
PT J
AU Lackmann, T
Hewson, JC
Knaus, RC
Kerstein, AR
Oevermann, M
AF Lackmann, T.
Hewson, J. C.
Knaus, R. C.
Kerstein, A. R.
Oevermann, M.
TI Stochastic modeling of unsteady extinction in turbulent non-premixed
combustion
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Extinction; Unsteady flames; Non-premixed flame; Scalar dissipation
rate; Turbulence
ID SCALAR DISSIPATION; LOCAL EXTINCTION; NONPREMIXED FLAMES; DIFFUSION
FLAME; JET FLAMES; REIGNITION; SIMULATION; KINETICS; FLOWS; PDF
AB Turbulent fluctuations of the scalar dissipation rate have a major impact on extinction in non-premixed combustion. Recently, an unsteady extinction criterion has been developed (Hewson, 2013) that predicts extinction dependent on the duration and the magnitude of dissipation rate fluctuations exceeding a critical quenching value; this quantity is referred to as the dissipation impulse. The magnitude of the dissipation impulse corresponding to unsteady extinction is related to the difficulty with which a flamelet is exintguished, based on the steady-state S-curve.
In this paper we evaluate this new extinction criterion for more realistic dissipation rates by evolving a stochastic Ornstein-Uhlenbeck process for the dissipation rate. A comparison between unsteady flamelet evolution using this dissipation rate and the extinction criterion exhibit good agreement. The rate of predicted extinction is examined over a range of Damkohler and Reynolds numbers and over a range of the extinction difficulty. The results suggest that the rate of extinction is proportional to the average dissipation rate and the area under the dissipation rate probability density function exceeding the steady-state quenching value. It is also inversely related to the actual probability that this steady-state quenching dissipation rate is observed and the difficulty of extinction associated with the distance between the upper and middle branches of the S-curve. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Lackmann, T.; Oevermann, M.] Chalmers, Dept Appl Mech, Div Combust, Gothenburg, Sweden.
[Hewson, J. C.; Knaus, R. C.] Fire Sci Technol Dept, Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Kerstein, A. R.] Consultant, 72 Lomitas Road, Danville, CA 94526 USA.
RP Lackmann, T (reprint author), Chalmers, Dept Appl Mech, Div Combust, Gothenburg, Sweden.
EM tim.lackmann@chalmers.se
FU Chalmers Combustion Engine Research Center (CERC); United States
Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; Sandia National Laboratories' Advanced Simulation
and Computing Physics and Engineering Models program
FX T. L. and M. O. thank Chalmers Combustion Engine Research Center (CERC)
for their financial support. This work was conducted in part at Sandia
National Laboratories, 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 and supported in part by Sandia National Laboratories'
Advanced Simulation and Computing Physics and Engineering Models
program.
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PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 2
BP 1677
EP 1684
DI 10.1016/j.proci.2016.07.014
PG 8
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP5ZY
UT WOS:000397458900006
ER
PT J
AU Karami, S
Talei, M
Hawkes, ER
Chen, JH
AF Karami, Shahram
Talei, Mohsen
Hawkes, Evatt R.
Chen, Jacqueline H.
TI Local extinction and reignition mechanism in a turbulent lifted flame: A
direct numerical simulation study
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Lifted flame; Local extinction; Reignition; Edge flame; DNS
ID PARTIALLY PREMIXED COMBUSTION; DIFFUSION FLAME; EDGE FLAME; JET;
STABILIZATION; EVOLUTION; MODELS; HOLES
AB Local extinction and reignition is studied in a direct numerical simulation (DNS) dataset of a turbulent lifted flame [1]. Extinction holes are identified as regions on the stoichiometric surface which have a product mass fraction less than a critical value. Using this criterion, thirty individual holes are identified and tracked in time. It is observed that large outwardly pushing structures caused compressive strain rates normal to the mixturefraction iso-surface. These high strain rates caused high dissipation rates and the initiation of the extinction process, leading to the initial creation of holes. Extinction, i.e. hole growth, then occurs in two phases. In the first phase, the edge-propagation velocity is initially negative and the fluid dynamic tangential strain rate on the hole surface is positive, leading to rapid hole growth. Subsequently, in the second phase, local compressive strain rates at the flame edge relax, and the edge-flame propagation velocity switches to positive. However, in this second phase, the hole continues to expand because of positive tangential strain rate on the hole's surface, which dominates over the healing effect of positive edge-flame propagation velocities. When reignition starts, the edge-propagation velocity is mainly affected by the product-mass fraction displacement speed and shows a dependency on curvature and scalar dissipation rate, similar to what is expected in edge-flame propagation. An analysis of thermal diffusion on the unburned portion of the mixture-fraction iso-surface shows that the edge-flame propagation mechanism dominates turbulent engulfment during reignition in this study. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Karami, Shahram; Hawkes, Evatt R.] Univ New South Wales, Sch Photovoltaic & Renewable Energy Engn, Sydney, NSW 2052, Australia.
[Talei, Mohsen] Univ Melbourne, Dept Engn Mech, Melbourne, Vic 3010, Australia.
[Hawkes, Evatt R.] Univ New South Wales, Sch Mech & Manufact Engn, Sydney, NSW 2052, Australia.
[Chen, Jacqueline H.] Combust Res Facil, Sandia Natl Labs, Livermore, CA 94551 USA.
RP Hawkes, ER (reprint author), Univ New South Wales, Sch Photovoltaic & Renewable Energy Engn, Sydney, NSW 2052, Australia.
EM evatt.hawkes@unsw.edu.au
FU Australian Research Council; Division of Chemical Sciences, Geosciences
and Bio-sciences, the Office of Basic Energy Sciences, the U.S.
Department of Energy; U.S. Department of Energy [DE-AC04-94-AL85000];
Australian Government
FX This work was supported by the Australian Research Council. The work at
Sandia National Laboratories was supported by the Division of Chemical
Sciences, Geosciences and Bio-sciences, the Office of Basic Energy
Sciences, the U.S. Department of Energy. Sandia National Laboratories is
a multi-program laboratory operated by Sandia Corporation, a Lockheed
Martin Company, for the U.S. Department of Energy under contract
DE-AC04-94-AL85000. The research benefited from computational resources
provided through the National Computational Merit Allocation Scheme,
supported by the Australian Government. The computational facilities
supporting this project included the Australian NCI National Facility,
Intersect Australia Pty Ltd., Pawsey Supercomputing Centre.
NR 27
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U1 1
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PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 2
BP 1685
EP 1692
DI 10.1016/j.proci.2016.07.121
PG 8
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP5ZY
UT WOS:000397458900007
ER
PT J
AU Richardson, ES
Chen, JH
AF Richardson, Edward S.
Chen, Jacqueline H.
TI Analysis of turbulent flame propagation in equivalence ratio-stratified
flow
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Stratified; Partially-premixed; Direct Numerical Simulation;
Displacement speed; Flame surface density
ID CHARACTERISTIC BOUNDARY-CONDITIONS; NUMERICAL-SIMULATION; AIR COMBUSTION
AB Equivalence ratio-stratified combustion is an important technology for achieving stable low-emission operation in internal combustion engines and gas turbines. This study examines how equivalence ratio stratification affects the physics of turbulent flame propagation using Direct Numerical Simulation. Three-dimensional simulations of a turbulent slot-Bunsen flame configuration are performed with accurate multistep kinetic modelling for methane-air combustion. We compare one perfectly-premixed and three equivalence ratio-stratified cases with the mean equivalence ratio gradient aligned with, tangential to or opposed to the mean flame brush. The simulation results are analysed in terms of flame surface area and the burning intensity. The local effects of stratification are then investigated further by examining statistics of the displacement speed conditioned on the flame-normal equivalence ratio gradient. The local burning intensity is found to depend on the orientation of the stratification with respect to the flame front, so that burning intensity is enhanced when the flame speed in the products is faster than in the reactants. This effect of alignment between equivalence ratio gradients and flame fronts has been observed previously in laminar flames and it is found here that it also affects the global behaviour of turbulent flames. The flame surface area is also influenced by equivalence ratio stratification and this may be explained by differences in the surface-averaged consumption rate and differential propagation effects due to flame speed variations associated with equivalence ratio fluctuations. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Richardson, Edward S.] Univ Southampton, Fac Engn & Environm, Room 5103,Bldg 13, Southampton SO17 1BJ, Hants, England.
[Chen, Jacqueline H.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
RP Richardson, ES (reprint author), Univ Southampton, Fac Engn & Environm, Room 5103,Bldg 13, Southampton SO17 1BJ, Hants, England.
EM e.s.richardson@soton.ac.uk
FU Division of Chemical Sciences, Geosciences and Bio-sciences, the Office
of Basic Energy Sciences, the U.S. Department of Energy; U.S. Department
of Energy [DE-AC04-94-AL85000, DE-AC02-05CH11231]; Office of Science of
the U.S. Department of Energy [DE-AC0500OR22725]; Engineering and
Physical Sciences Research Council (UK) [EP/I004564/1]
FX This work was supported by the Division of Chemical Sciences,
Geosciences and Bio-sciences, the Office of Basic Energy Sciences, the
U.S. Department of Energy. Sandia National Laboratories is a
multi-program laboratory operated by Sandia Corporation, a Lockheed
Martin Company, for the U.S. Department of Energy under contract
DE-AC04-94-AL85000. This research used resources of the National Center
for Computational Sciences at Oak Ridge National Laboratory, which is
supported by the Office of Science of the U.S. Department of Energy
under contract no. DE-AC0500OR22725, and the NERSC at Lawrence Berkeley
National Laboratory, which is supported by the U.S. Department of Energy
under contract no. DE-AC02-05CH11231. E.S. Richardson is grateful for
funding from the Engineering and Physical Sciences Research Council (UK)
(EP/I004564/1).
NR 25
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PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 2
BP 1729
EP 1736
DI 10.1016/j.proci.2016.06.140
PG 8
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP5ZY
UT WOS:000397458900012
ER
PT J
AU Cutcher, HC
Barlow, RS
Magnotti, G
Masri, AR
AF Cutcher, H. C.
Barlow, R. S.
Magnotti, G.
Masri, A. R.
TI Turbulent flames with compositionally inhomogeneous inlets: Resolved
measurements of scalar dissipation rates
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Turbulent flames; Scalar dissipation rates; Partially premixed flames;
Inhomogeneous composition
ID METHANE/AIR JET FLAMES; LENGTH SCALES; COMBUSTION; DIAGNOSTICS; MODEL
AB Highly resolved measurements of scalar dissipation rates in turbulent piloted CH4/air flames with compositionally inhomogeneous inlets are presented. These were performed using Sandia's Raman-Rayleigh-LIF system but with data acquisition and processing strategies that result in enhanced spatial resolution and reduced noise. They complement earlier measurements with coarser resolution. The burner stabilising these flames enables variability in the mixture fraction profile at the exit plane. Earlier studies have shown enhanced stability at an optimal compositional inlet profile that leads to multiple modes of combustion, with premixed-stratified flames close to the jet exit but transitioning to diffusion-dominated burning downstream. It is found that at upstream locations, for jets with homogeneous inlets as well as for the high-temperature regions of flames with inhomogeneous inlets, both fine and coarse measurements of scalar dissipation rates yield similar results, giving confidence that measurements resolve the local dissipation scales. Downstream locations in homogeneous mixtures also show similar results for both coarse and fine measurements across all mixtures. Differences arise in the rich, inner regions of turbulent flames with inhomogeneous inlets, where the fine resolution measurements are more reliable due to the existence of steep gradients in composition. Both data sets provide a comprehensive platform to enhance the modelling of turbulent flames in the presence of multi-modes of combustion. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Cutcher, H. C.; Masri, A. R.] Univ Sydney, Sch Aerosp Engn, Sch Mech & Mech Engn, Sydney, NSW 2006, Australia.
[Barlow, R. S.; Magnotti, G.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA.
RP Cutcher, HC (reprint author), Univ Sydney, Fac Engn, Sch AMME, Bldg J07, Sydney, NSW 2006, Australia.
EM hcut6115@uni.sydney.edu.au
FU Australian Research Council; Division of Chemical Sciences, Geosciences
and Biosciences, Office of Basic Energy Sciences, US Department of
Energy; United States Department of Energy [DE-AC04-94-AL85000]
FX Work at the University of Sydney was supported by the Australian
Research Council. Work at Sandia was supported by the Division of
Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy
Sciences, US Department of Energy. Sandia National Laboratories is a
multiprogram laboratory operated by Sandia Corporation, a Lockheed
Martin Company, for the United States Department of Energy under
contract DE-AC04-94-AL85000. Contributions by Bob Harmon in support of
these experiments are gratefully acknowledged.
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SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 2
BP 1737
EP 1745
DI 10.1016/j.proci.2016.07.093
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP5ZY
UT WOS:000397458900013
ER
PT J
AU Coriton, B
Frank, JH
AF Coriton, Bruno
Frank, Jonathan H.
TI Impact of heat release on strain rate field in turbulent premixed Bunsen
flames
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Tomographic PIV; Turbulent premixed flames; Strain rate; Dilatation
ID TOMOGRAPHIC PIV MEASUREMENTS; OH PLIF; COMBUSTION; ALIGNMENT
AB The effects of combustion on the strain rate field are investigated in turbulent premixed CH4/air Bun-sen flames using simultaneous tomographic PIV and OH LIF measurements. Tomographic PIV provides three-dimensional velocity measurements, from which the complete strain rate tensor is determined. The OH LIF measurements are used to determine the position of the flame surface and the flame-normal orientation within the imaging plane. This combination of diagnostic techniques enables quantification of divergence as well as flame-normal and tangential strain rates, which are otherwise biased using only planar measurements. Measurements are compared in three lean-to-stoichiometric flames that have different amounts of heat release and Damkohler numbers greater than unity. The effects of heat release on the principal strain rates and their alignment relative to the local flame normal are analyzed. The extensive strain rate preferentially aligns with the flame normal in the reaction zone, which has been indicated by previous studies. The strength of this alignment increases with increasing heat release and, as a result, the flame-normal strain rate becomes highly extensive. These effects are associated with the gas expansion normal to the flame surface, which is largest for the stoichiometric flame. In the preheat zone, the compressive strain rate has a tendency to align with the flame normal. Away from the flame front, the flame - strain rate alignment is arbitrary in both the reactants and products. The flame-tangential strain rate is on average positive across the flame front, and therefore the turbulent strain rate field contributes to the enhancement of scalar gradients as in passive scalar turbulence. Although increases in heat release result in larger positive values of the divergence as well as flame-normal and tangential strain rates, the tangential strain rate has a weaker dependence on heat release than the flame-normal strain rate and the divergence. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Coriton, Bruno; Frank, Jonathan H.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
RP Frank, JH (reprint author), POB 969,MS 9053, Livermore, CA 94551 USA.
EM jhfrank@sandia.gov
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences, and Biosciences; U.S. Department of
Energy [DE-AC04-94-AL85000]
FX The authors thank Dr. Hemanth Kolla for insightful discussions and Mr.
Erxiong Huang for technical assistance in the laboratory. This research
was supported by the U.S. Department of Energy, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences.
Sandia National Laboratories is a multiprogram laboratory operated by
Sandia Corporation, a Lockheed Martin Company, for the U.S. Department
of Energy under contract DE-AC04-94-AL85000.
NR 19
TC 0
Z9 0
U1 0
U2 0
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 2
BP 1885
EP 1892
DI 10.1016/j.proci.2016.07.006
PG 8
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP5ZY
UT WOS:000397458900030
ER
PT J
AU Stahler, T
Geyer, D
Magnotti, G
Trunk, P
Dunn, MJ
Barlow, RS
Dreizler, A
AF Stahler, Thabo
Geyer, Dirk
Magnotti, Gaetano
Trunk, Philipp
Dunn, Matthew J.
Barlow, Robert S.
Dreizler, Andreas
TI Multiple conditioned analysis of the turbulent stratified flame A
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Turbulent combustion; Lean-premixed combustion; Stratified flames;
Multiple conditioned data analysis; Raman/Rayleigh scattering
ID METHANE/AIR FLAMES; NUMERICAL-ANALYSIS; EQUIVALENCE RATIO; BURNER
AB To explore the effect of stratification on lean premixed combustion in a turbulent flow, an experimental investigation on the TSFA flame of the Darmstadt stratified burner is conducted. Spatially highly resolved major species concentrations and temperature are measured by 1D Raman-Rayleigh. Temperature gradients from line data are corrected to the flame front normal by the means of Crossed Planar Rayleigh Imaging. A conditioning based on multiple criteria relevant for stratified combustion is applied to the large dataset and allows to analyze the impact of stratification on the flame structure. Conditioning criteria are the local equivalence ratio (phi = 0.75), the local thermal progress variable (c = 0.54), the stratification level (instantaneous flame-normal gradient in equivalence ratio), and a temperature difference over the 1D probe volume, ensuring the flame front is included. Conditionally averaged quantities such as temperature profiles in the flame-normal coordinate system, equivalence ratio, H-2 mass fractions, and temperature gradients are pa-rameterized on the local equivalence ratio gradient in order to understand the impact of stratification on the flame structure. The temperature profiles in this back-supported configuration are more affected on the reactant side than on the product side by stratification. In contrast to that, equivalence ratios as well as mass fractions of hydrogen are found to be sensitive to stratification on the product side as well as in the reactants. Profiles are altered even in the reaction zone by enhancing the equivalence ratio gradients, which is in contrast to results obtained in the Cambridge/Sandia configuration. This finding indicates the influ-ence of turbulence on stratified combustion in the thin-reaction-zone regime, as characterized for instance by the difference in Karlowitz and Damkohler numbers for the Darmstadt versus the Cambridge/Sandia configuration. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Stahler, Thabo; Trunk, Philipp; Dreizler, Andreas] Tech Univ Darmstadt, Fachgebiet Reakt Stromungen & Messtech RSM, Jovanka Bontschits Str 2, D-64287 Darmstadt, Germany.
[Geyer, Dirk] Hsch Darmstadt, Thermodynam & Alternat Antriebe, Schofferstrasse 3, D-64295 Darmstadt, Germany.
[Magnotti, Gaetano; Barlow, Robert S.] Sandia Natl Labs, Livermore, CA USA.
[Dunn, Matthew J.] Univ Sydney, Sch Aerosp & Mech Engn, Sch Mech & Mech Engn, Sydney, NSW 2006, Australia.
RP Geyer, D (reprint author), Hsch Darmstadt, Thermodynam & Alternat Antriebe, Schofferstrasse 3, D-64295 Darmstadt, Germany.
EM dirk.geyer@h-da.de
FU Deutsche Forschungsgemeinschaft (DFG) [DR 3 74/13, GE 2523/1]; Gottfried
Wilhelm Leibniz-Preis (DFG); United States Department of Energy, Office
of Basic Energy Science, and Biosciences; United States Department of
Energy [DE-AC04-94-AL85000]
FX We gratefully acknowledge financial support by the Deutsche
Forschungsgemeinschaft (DFG) through DR 3 74/13 and GE 2523/1. A.
Dreizler was financially supported by the Gottfried Wilhelm
Leibniz-Preis (DFG). Work at Sandia was supported by the United States
Department of Energy, Office of Basic Energy Science, and Biosciences.
Sandia National Laboratories is a multiprogram operated by Sandia
Corporation, a Lockheed Martin Company, for the United States Department
of Energy under contract DE-AC04-94-AL85000. The authors also thank Bob
Harmon for his contributions to the experiments.
NR 14
TC 0
Z9 0
U1 1
U2 1
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 2
BP 1947
EP 1955
DI 10.1016/j.proci.2016.08.070
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP5ZY
UT WOS:000397458900037
ER
PT J
AU Kamal, MM
Coriton, B
Zhou, RG
Frank, JH
Hochgreb, S
AF Kamal, M. Mustafa
Coriton, Bruno
Zhou, Ruigang
Frank, Jonathan H.
Hochgreb, Simone
TI Scalar dissipation rate and scales in swirling turbulent premixed flames
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Turbulent premixed flame; Scalar dissipation rate; Dissipative
structures; Swirl burner; 2D Rayleigh scattering
ID BURNING VELOCITIES; SURFACE DENSITIES; JET FLAMES; NEAR-FIELD;
COMBUSTION; FLOWS; RESOLUTION; CHEMISTRY; REGIME; MODEL
AB Simultaneous Rayleigh scattering and OH LIF imaging measurements of temperature and OH were used to investigate the properties of turbulent premixed flames, including the nature of the 2D thermal structures and scalar dissipation rate in the Cambridge/Sandia swirling bluff body stabilized flames, with and without the effect of swirl. Swirl creates enhanced turbulence as well as outer flow entrainment, and disrupts the pre-flame zone significantly, whilst the high temperature reaction zone as marked by OH remains relatively intact. In particular, the temperature at the location of maximum OH gradient shows very low variance across the flame region.
The 2D image analysis of OH and temperature shows that the corresponding 2D gradients are aligned up to a distance of half the laminar flame thickness away from the flame front, deviating significantly in the case of swirling flames beyond that region. As in previous investigations in diffusion flames, the mean width of the observed thermal structures increases from 300 to 600 mu m near the flame, with a main mode around the laminar flame thermal width in the unswirled case. The correlation between 2D thermal dissipation and variance of the reaction progress variable extracted from the images shows a direct proportionality, with a slope which agrees well with theory in the region of high turbulence away from the base. At the base of the flame where turbulence is low, the local scalar dissipation becomes a function of the local temperature via the thermal diffusivity. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Kamal, M. Mustafa; Zhou, Ruigang; Hochgreb, Simone] Univ Cambridge, Dept Engn, Cambridge CB2 1PZ, England.
[Coriton, Bruno; Frank, Jonathan H.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
[Kamal, M. Mustafa] Univ Engn & Technol, Dept Mech Engn, Peshawar, Pakistan.
RP Kamal, MM (reprint author), Univ Cambridge, Dept Engn, Cambridge CB2 1PZ, England.
EM mustafa.kamal@cantab.net
FU Leverhulme Trust; U.S. Department of Energy, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences;
U.S. Department of Energy [DE-AC04-94-AL85000]
FX The Leverhulme Trust funded the collaboration through an International
Network grant for Stratified Flames. This work at Sandia was supported
by the U.S. Department of Energy, Office of Basic Energy Sciences,
Division of Chemical Sciences, Geosciences, and Biosciences. Sandia
National Laboratories is a multiprogram laboratory operated by Sandia
Corporation, a Lockheed Martin Company, for the U.S. Department of
Energy under contract DE-AC04-94-AL85000.
NR 34
TC 0
Z9 0
U1 0
U2 0
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 2
BP 1957
EP 1965
DI 10.1016/j.proci.2016.08.067
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP5ZY
UT WOS:000397458900038
ER
PT J
AU Kuron, M
Hawkes, ER
Ren, ZY
Tang, JCK
Zhou, H
Chen, JH
Lu, TF
AF Kuron, Michael
Hawkes, Evatt R.
Ren, Zhuyin
Tang, Joshua C. K.
Zhou, Hua
Chen, Jacqueline H.
Lu, Tianfeng
TI Performance of transported PDF mixing models in a turbulent premixed
flame
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Turbulent premixed flames; Direct numerical simulation; Transported
probability density function; Micro-mixing models
ID PROBABILITY DENSITY-FUNCTION; REACTIVE FLOWS; SIMULATIONS
AB Modeling of premixed turbulent flames is challenging due to the effects of strong turbulence-chemistry interaction. In the transported probability density function (TPDF) methods, chemical reactions are treated exactly, while molecular mixing needs to be modeled. In the present study, the performance of three widely used mixing models, namely the Interaction by Exchange with the Mean (IEM), Modified Curl (MC), and Euclidean Minimum Spanning Tree (EMST) models, are assessed using direct numerical simulation (DNS) data of a lean premixed hydrogen-air slot jet flame simulated at Sandia. The DNS provides initial conditions and time varying input quantities, including the mean velocity, turbulent diffusion coefficient, and scalar mixing rate for the TPDF simulations. A number of progress variable definitions are explored, as well as the commonly used constant mechanical-to-scalar mixing timescale model. It is found that the EMST model provides the best prediction of the flame structure and flame propagation speed out of the models tested. The IEM model implies a qualitatively incorrect conditional mean and RMS diffusion rate, while the MC model can qualitatively capture the conditional mean diffusion rate. Only the EMST model can accurately predict the conditional mean diffusion rate for this flame, which can be attributed to its enforcement of mixing that is local in composition space. Finally, a parametric study on the mechanical-to-scalar timescale ratio is performed. It is found that the optimal choice for the timescale ratio varies by a factor of 2 for the two DNS cases study, despite the cases having the same configuration. Therefore, this commonly used approach does not appear to be viable for turbulent premixed flames and further attention to mixing timescale models for reactive scalars is merited. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Kuron, Michael; Lu, Tianfeng] Univ Connecticut, Dept Mech Engn, 191 Auditorium Rd U-3139, Storrs, CT 06269 USA.
[Hawkes, Evatt R.; Tang, Joshua C. K.] Univ New South Wales, Sch Mech & Mfg Engn, Sydney, NSW 2052, Australia.
[Hawkes, Evatt R.] Univ New South Wales, Sch Photovolta & Renewable Energy Engn, Sydney, NSW 2052, Australia.
[Ren, Zhuyin; Zhou, Hua] Tsinghua Univ, Ctr Combust Energy, Beijing 100084, Peoples R China.
[Ren, Zhuyin; Zhou, Hua] Tsinghua Univ, Sch Aerosp Engn, Beijing 100084, Peoples R China.
[Chen, Jacqueline H.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 96551 USA.
RP Kuron, M (reprint author), Univ Connecticut, Dept Mech Engn, 191 Auditorium Rd U-3139, Storrs, CT 06269 USA.
EM michael.kuron@uconn.edu
RI Hawkes, Evatt/C-5307-2012
OI Hawkes, Evatt/0000-0003-0539-7951
FU National Science Foundation [CBET-1258646]; Department of Energy
[CBET-1258646]; Division of Chemical Sciences, Geosciences and
Bio-Sciences, the Office of Basic Energy Sciences, the U.S. Department
of Energy; U.S. Department of Energy [DE-AC04-94-AL85000]; U.S.
Department of Energy, Office of Science, Office of Workforce Development
for Teachers and Scientists, Office of Science Graduate Student Research
(SCGSR) program; DOE [DE-AC05-06OR23100]; National Natural Science
Foundation of China [91441202]; Australian Research Council
FX This work was supported by the National Science Foundation and the
Department of Energy through the NSF-DOE Partnership on Advanced
Combustion Engines Program under Grant CBET-1258646. The work at Sandia
was supported by the Division of Chemical Sciences, Geosciences and
Bio-Sciences, the Office of Basic Energy Sciences, the U.S. Department
of Energy. Sandia National Laboratories is a multi-program laboratory
operated by Sandia Corporation, a Lockheed Martin Company, for the U.S.
Department of Energy under contract DE-AC04-94-AL85000. This material is
based upon work supported by the U.S. Department of Energy, Office of
Science, Office of Workforce Development for Teachers and Scientists,
Office of Science Graduate Student Research (SCGSR) program. The SCGSR
program is administered by the Oak Ridge Institute for Science and
Education for the DOE under contract number DE-AC05-06OR23100. The work
at Tsinghua University was supported by National Natural Science
Foundation of China (91441202). The work at the University of New South
Wales, Australia, was supported by the Australian Research Council and
by access to the Australian National Computational Infrastructure and
the Pawsey Supercomputing Centre.
NR 19
TC 1
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U1 2
U2 2
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 2
BP 1987
EP 1995
DI 10.1016/j.proci.2016.05.019
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP5ZY
UT WOS:000397458900041
ER
PT J
AU Aspden, AJ
Bell, JB
Day, MS
Egolfopoulos, FN
AF Aspden, A. J.
Bell, J. B.
Day, M. S.
Egolfopoulos, F. N.
TI Turbulence-flame interactions in lean premixed dodecane flames
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Turbulent premixed flames; Direct numerical simulation; Detailed
chemistry; Low Mach number flow; Dodecane
ID DIRECT NUMERICAL-SIMULATION; HIGH KARLOVITZ NUMBERS; COMPLEX CHEMISTRY;
H-2/AIR FLAMES; COMBUSTION; CH4/AIR
AB Turbulent lean premixed dodecane/air flames are simulated in a doubly-periodic domain using detailed kinetics and transport over a range of Karlovitz number. We observe extensive thickening of thermal profiles through the flames that increases with turbulent intensity. The high Lewis number of the flames acts to sup-press wrinkling of the flame resulting in considerably lower turbulent flame speeds than is observed for lower molecular weight fuels. The impact of high Lewis number is also reflected in a negative correlation of local consumption-based flame speed with curvature. Characteristic of heavy hydrocarbons, pyrolysis of the fuel into smaller fuel fragments is separated in temperature from the primary consumpution of oxygen, which peaks at a higher temperature where the fuel fragments are consumed. The resulting intermediate species are partially entrained within the cool region ahead of the flame, but the overall pyrolysis-oxidation sequence appears essentially unaffected by turbulent mixing; however, the peak rates of these reactions are dramatically reduced. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Aspden, A. J.] Univ Southampton, Math Sci, Southampton SO17 1BJ, Hants, England.
[Aspden, A. J.; Bell, J. B.; Day, M. S.] Lawrence Berkeley Natl Lab, Ctr Computat Sci & Engn, Mailstop 50A 1148,1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Egolfopoulos, F. N.] Univ Southern Calif, Dept Aerosp & Mech Engn, Los Angeles, CA 90089 USA.
RP Day, MS (reprint author), Lawrence Berkeley Natl Lab, Ctr Computat Sci & Engn, Mailstop 50A 1148,1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM MSDay@lbl.gov
OI Aspden, Andy/0000-0002-2970-4824
FU DOE Applied Mathematics Research Program of the DOE Office of Advanced
Scientific Computing Research under the U.S. Department of Energy
[DE-AC02-05CH11231]; NSF [CBET-1512214]
FX JBB and MSD were supported by the DOE Applied Mathematics Research
Program of the DOE Office of Advanced Scientific Computing Research
under the U.S. Department of Energy Contract no. DE-AC02-05CH11231. The
work at USC was supported by the NSF under Grant no. CBET-1512214.
NR 22
TC 1
Z9 1
U1 0
U2 0
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 2
BP 2005
EP 2016
DI 10.1016/j.proci.2016.07.068
PG 12
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP5ZY
UT WOS:000397458900043
ER
PT J
AU Wang, HO
Hawkes, ER
Zhou, B
Chen, JH
Li, ZS
Alden, M
AF Wang, Haiou
Hawkes, Evatt R.
Zhou, Bo
Chen, Jacqueline H.
Li, Zhongshan
Alden, Marcus
TI A comparison between direct numerical simulation and experiment of the
turbulent burning velocity-related statistics in a turbulent methane-air
premixed jet flame at high Karlovitz number
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Direct numerical simulation; High Karlovitz number; Lean premixed
combustion; Turbulent burning velocity
ID COMBUSTION; CHEMISTRY; REGIME
AB A three-dimensional (3D) direct numerical simulation (DNS) of an experimental turbulent premixed jet flame at high Karlovitz number was studied. The DNS resolution adequately resolves both the flame and turbulence structures. A reduced chemical mechanism for premixed CH4/air flames with NOx based on GRI-Mech3.0 was used, including 268 elementary reactions, and 28 transported species. Consistent post-processing methods were applied to both the DNS and experimental data to evaluate turbulent burning velocity-related statistics, namely the flame surface density (FSD), and the flame curvature. Good agreement was achieved for the 2D comparisons. The DNS data were further analysed and provide 3D statistics unattainable from the experiment. The ratio of the 3D and 2D flame surface densities was estimated. The results are comparable with other values reported for various experimental flames. The 3D and 2D flame curvatures were also compared and their distributions are shown to be quite different owing to the round on-average geometry. Instantaneous images of the heat release surrogate, [CH2O][OH], between the DNS and experiment agreed qualitatively. Various other experimentally obtainable surrogates for heat release rate including [CH2O][H], [CH2O][O], [HCO], and [CH] are also evaluated and compared using the DNS. The inner structure of the flame was compared between the DNS and experiment in terms of the joint PDFs of OH concentration and temperature. Generally good agreement was obtained; discrepancies may be due to the inconsistency of assumed equilibrium levels of OH concentration in the co-flow. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Wang, Haiou; Hawkes, Evatt R.] Univ New South Wales, Sch Mech & Mfg Engn, Kensington, NSW 2052, Australia.
[Hawkes, Evatt R.] Univ New South Wales, Sch Photovolta & Renewable Energy Engn, Kensington, NSW 2052, Australia.
[Zhou, Bo; Li, Zhongshan; Alden, Marcus] Lund Univ, Div Combust Phys, POB 118, S-22100 Lund, Sweden.
[Chen, Jacqueline H.] Sandia Natl Labs, Livermore, CA 94550 USA.
RP Wang, HO (reprint author), Univ New South Wales, Sch Mech & Mfg Engn, Kensington, NSW 2052, Australia.
EM haiou.wang@unsw.edu.au
RI Hawkes, Evatt/C-5307-2012
OI Hawkes, Evatt/0000-0003-0539-7951
FU Australian Research Council; Australian Government; Government of
Western Australia; Division of Chemical Sciences, Geosciences and
Biosciences, the Office of Basic Energy Sciences, the US Department of
Energy (DOE); US Department of Energy [De-AC04-94-AL85000]; Swedish
Energy Agency; ERC Advanced Grant, TUCLA
FX This work was supported by the Australian Research Council. This
research used resources provided by the Pawsey Supercomputing Centre
with funding from the Australian Government and the Government of
Western Australia. The research was also supported by computational
resources at Pawsey awarded through the National Computational Merit
Allocation Scheme. The work at Sandia National Laboratories was
supported by the Division of Chemical Sciences, Geosciences and
Biosciences, the Office of Basic Energy Sciences, the US Department of
Energy (DOE). Sandia National Laboratories is a multiprogram laboratory
operated by Sandia Corporation, a Lockheed Martin Company, for the US
Department of Energy under contract De-AC04-94-AL85000. The work at Lund
University was supported by the Swedish Energy Agency and the ERC
Advanced Grant, TUCLA.
NR 39
TC 1
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U1 0
U2 0
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 2
BP 2045
EP 2053
DI 10.1016/j.proci.2016.07.104
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP5ZY
UT WOS:000397458900047
ER
PT J
AU Doisneau, F
Arienti, M
Oefelein, J
AF Doisneau, F.
Arienti, M.
Oefelein, J.
TI On Multi-Fluid models for spray-resolved LES of reacting jets
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Atomization; Dense spray; Mixing layer; Spray combustion; Large Eddy
Simulation
ID LARGE-EDDY SIMULATION; INTERNAL-COMBUSTION ENGINES; EVAPORATING SPRAYS;
LIQUID JET; N-DODECANE; FLOWS; ATOMIZATION
AB Numerical simulation of sprays can potentially be used for assessing the performance and variability of engines. But today's simulations only provide average quantities, after calibration. Spray injection can be thought of as a multiscale problem with 4 levels (chamber, mixing layer, drop scale, and nozzle). Because of their complex interactions, increasing predictivity requires simulations to capture more of these scales. To assess the trade-offs in this regard, we perform a review of recent Diesel spray simulations. After highlighting the importance of the mixing layer in driving spray dynamics, we analyze various two-phase flow formalisms and show the potential benefits of a Eulerian spray formulation combined with Large Eddy Simulation (LES) to capture a variable-density mixing layer (VDML). We then present a framework and numerical methods to make this description operative and show how it performs on a realistic autoignition case called Spray A. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Doisneau, F.; Arienti, M.; Oefelein, J.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
RP Doisneau, F (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
EM francois.doisneau@gmail.com
FU Sandia National Laboratories' Laboratory Directed Research and
Development (LDRD) program; U.S. Department of Energy's National Nuclear
Security Administration [DE-AC04-94AL85000]
FX Support by Sandia National Laboratories' Laboratory Directed Research
and Development (LDRD) program is also gratefully acknowledged. The
authors also thank Layal Hakim for providing the two-step chemistry
model. 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 65
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U1 1
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PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 2
BP 2441
EP 2450
DI 10.1016/j.proci.2016.07.120
PG 10
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP5ZY
UT WOS:000397458900090
ER
PT J
AU Dahms, RN
Paczko, GA
Skeen, SA
Pickett, LM
AF Dahms, Rainer N.
Paczko, Guenter A.
Skeen, Scott A.
Pickett, Lyle M.
TI Understanding the ignition mechanism of high-pressure spray flames
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Flamelet; LLNL kinetics; Optical diagnostics; Auto-ignition;
Turbulence-chemistry-interactions
ID DIRECT NUMERICAL-SIMULATION; LARGE-EDDY SIMULATION; COOL-FLAMES;
COMBUSTION
AB A conceptual model for turbulent ignition in high-pressure spray flames is presented. The model is motivated by first-principles simulations and optical diagnostics applied to the Sandia n-dodecane experiment. The La-grangian flamelet equations are combined with full LLNL kinetics (2755 species; 11,173 reactions) to resolve all time and length scales and chemical pathways of the ignition process at engine-relevant pressures and turbulence intensities unattainable using classic DNS. The first-principles value of the flamelet equations is established by a novel chemical explosive mode-diffusion time scale analysis of the fully-coupled chemical and turbulent time scales. Contrary to conventional wisdom, this analysis reveals that the high Damkhler number limit, a key requirement for the validity of the flamelet derivation from the reactive Navier-Stokes equations, applies during the entire ignition process. Corroborating Rayleigh-scattering and formaldehyde PLIF with simultaneous schlieren imaging of mixing and combustion are presented. Our combined analysis establishes a characteristic temporal evolution of the ignition process. First, a localized first-stage ignition event consistently occurs in highest temperature mixture regions. This initiates, owed to the intense scalar dissipation, a turbulent cool flame wave propagating from this ignition spot through the entire flow field. This wave significantly decreases the ignition delay of lower temperature mixture regions in comparison to their homogeneous reference. This explains the experimentally observed formaldehyde formation across the entire spray head prior to high-temperature ignition which consistently occurs first in a broad range of rich mixture regions. There, the combination of first-stage ignition delay, shortened by the cool flame wave, and the subsequent delay until second-stage ignition becomes minimal. A turbulent flame subsequently propagates rapidly through the entire mixture over time scales consistent with experimental observations. We demonstrate that the neglect of turbulence-chemistry-interactions fundamentally fails to capture the key features of this ignition process. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Dahms, Rainer N.; Skeen, Scott A.; Pickett, Lyle M.] Combust Res Facil, Sandia Natl Labs, Livermore, CA 94551 USA.
[Paczko, Guenter A.] Rhein Westfal TH Aachen, Inst Combust Technol, Aachen, Germany.
RP Dahms, RN (reprint author), Combust Res Facil, Sandia Natl Labs, Livermore, CA 94551 USA.
EM rndahms@sandia.gov
FU Division of Chemical Sciences, Geosciences and Biosciences, Office of
Basic Energy Sciences, U.S. Department of Energy; U.S. Department of
Energy, Office of Vehicle Technologies; U.S. Department of Energy
[DE-AC04-94AL85000]
FX This research was funded by the Division of Chemical Sciences,
Geosciences and Biosciences, Office of Basic Energy Sciences, U.S.
Department of Energy. Support was also provided by the U.S. Department
of Energy, Office of Vehicle Technologies. Sandia National Laboratories
is a multiprogram laboratory operated by Sandia Corporation, a Lockheed
Martin Company, for the U.S. Department of Energy under contract
DE-AC04-94AL85000. This research was performed at the Combustion
Research Facility, Sandia National Laboratories, Livermore, California.
NR 22
TC 0
Z9 0
U1 0
U2 0
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 2
BP 2615
EP 2623
DI 10.1016/j.proci.2016.08.023
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP5ZY
UT WOS:000397458900109
ER
PT J
AU Jackson, SI
AF Jackson, Scott I.
TI The dependence of Ammonium-Nitrate Fuel-Oil (ANFO) detonation on
confinement
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Detonation; Cylinder test; Equation of state
ID HIGH-SOUND-SPEED; NONIDEAL EXPLOSIVES; CYLINDER
AB As detonation is a coupled fluid-chemical process, flow divergence inside the detonation reaction zone can strongly influence detonation velocity and energy release. Such divergence is responsible for the diameter-effect and failure-diameter phenomena in condensed-phase explosives and particularly dominant in detonation of nonideal explosives such as Ammonium Nitrate and Fuel Oil (ANFO). In this study, the effect of reaction zone flow divergence on ANFO detonation was explored through variation of the inert confinement and explosive diameter in the rate-stick geometry with cylinder expansion experiments. New tests are discussed and compared to prior experiments. Presented results include the detonation velocity as a function of diameter and confinement, reaction zone times, detonation product isentropes and energies, as well as sonic surface pressures and velocities. Product energy densities and isentropes were found to increase with detonation velocity, indicating more complete chemical reaction with increased detonation velocity. Detonation reaction zone times were found to scale with the acoustic transit time of the confiner wall and used to show that the ANFO diameter effect scaled with the reaction zone time for a particle along the flow centerline, regardless of the confinement. Such a result indicates that the ANFO reaction mechanisms are sufficiently slow that the centerline fluid expansion timescale is a limiting factor controlling detonation velocity and energy release. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Jackson, Scott I.] Los Alamos Natl Lab, Shock & Detonat Phys Grp, Los Alamos, NM 87545 USA.
RP Jackson, SI (reprint author), Los Alamos Natl Lab, Shock & Detonat Phys Grp, Los Alamos, NM 87545 USA.
EM sjackson@lanl.gov
FU U.S. Department of Energy's Dynamic Materials Properties ("Campaign 2")
program
FX The author acknowledges significant technical discussions on this topic
with Mark Short, who was also the driving force behind the
aluminum-confined ANFO experiments. The author is also grateful to
Gerrit Sutherland for noting that Eq. 1 in Jackson [9] was inconsistent
with the output of hydrocode computations of the CYLEX geometry. Funding
for this analysis was provided by the U.S. Department of Energy's
Dynamic Materials Properties ("Campaign 2") program. The copper CYLEX
experiments were supported by the Department of Homeland Security.
NR 13
TC 0
Z9 0
U1 2
U2 2
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 2
BP 2791
EP 2798
DI 10.1016/j.proci.2016.09.027
PG 8
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EP5ZY
UT WOS:000397458900129
ER
PT J
AU Veksler, BZ
Boyd, R
Myers, CW
Gunzelmann, G
Neth, H
Gray, WD
AF Veksler, Bella Z.
Boyd, Rachel
Myers, Christopher W.
Gunzelmann, Glenn
Neth, Hansjoerg
Gray, Wayne D.
TI Visual Working Memory Resources Are Best Characterized as Dynamic,
Quantifiable Mnemonic Traces
SO TOPICS IN COGNITIVE SCIENCE
LA English
DT Article; Proceedings Paper
CT International Conference on Cognitive Modeling
CY 2016
CL Univ Pk, Penn State, State College, PA
HO Univ Pk, Penn State
DE Visual working memory; Visual search; ACT-R; Eye tracking; Resource
allocation
ID SHORT-TERM-MEMORY; FLUID INTELLIGENCE; DISCRETE RESOURCE; CAPACITY;
ALLOCATION; PRECISION; REPRESENTATIONS; CONJUNCTIONS; RESOLUTION;
ATTENTION
AB Visual working memory (VWM) is a construct hypothesized to store a small amount of accurate perceptual information that can be brought to bear on a task. Much research concerns the construct's capacity and the precision of the information stored. Two prominent theories of VWM representation have emerged: slot-based and continuous-resource mechanisms. Prior modeling work suggests that a continuous resource that varies over trials with variable capacity and a potential to make localization errors best accounts for the empirical data. Questions remain regarding the variability in VWM capacity and precision. Using a novel eye-tracking paradigm, we demonstrate that VWM facilitates search and exhibits effects of fixation frequency and recency, particularly for prior targets. Whereas slot-based memory models cannot account for the human data, a novel continuous-resource model does capture the behavioral and eye tracking data, and identifies the relevant resource as item activation.
C1 [Veksler, Bella Z.; Boyd, Rachel] AFRL, Oak Ridge Inst Sci & Educ, 711 Human Performance Wing,2620 Q St,Bldg 852, Wright Patterson AFB, OH 45431 USA.
[Myers, Christopher W.; Gunzelmann, Glenn] US Air Force, Res Lab, Washington, DC 20330 USA.
[Neth, Hansjoerg] Univ Konstanz, Dept Psychol, Constance, Germany.
[Gray, Wayne D.] Rensselaer Polytech Inst, Dept Cognit Sci, Troy, NY 12181 USA.
RP Veksler, BZ (reprint author), AFRL, Oak Ridge Inst Sci & Educ, 711 Human Performance Wing,2620 Q St,Bldg 852, Wright Patterson AFB, OH 45431 USA.
EM bellav717@gmail.com
FU Air Force Research Laboratory's Warfighter Readiness Research Division;
Air Force Office of Scientific Research [12RH05COR]
FX This work was supported by the Air Force Research Laboratory's
Warfighter Readiness Research Division and the Air Force Office of
Scientific Research (grant #12RH05COR). This research was supported in
part by an appointment to the Postgraduate Research Participation
Program at the U.S. Air Force Research Laboratory, 711th Human
Performance Wing, Human Effectiveness Directorate, Warfighter Readiness
Research Division, Cognitive Models and Agents Branch administered by
the Oak Ridge Institute for Science and Education through an interagency
agreement between the U.S. Department of Energy and USAFRL.
NR 38
TC 1
Z9 1
U1 0
U2 0
PU WILEY
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1756-8757
EI 1756-8765
J9 TOP COGN SCI
JI Top. Cogn. Sci.
PD JAN
PY 2017
VL 9
IS 1
SI SI
BP 83
EP 101
DI 10.1111/tops.12248
PG 19
WC Psychology, Experimental
SC Psychology
GA EO0QZ
UT WOS:000396404300008
PM 28067469
ER
PT J
AU James, CD
Aimone, JB
Miner, NE
Vineyard, CM
Rothganger, FH
Carlson, KD
Mulder, SA
Draelos, TJ
Faust, A
Marinella, MJ
Naegle, JH
Plimpton, SJ
AF James, Conrad D.
Aimone, James B.
Miner, Nadine E.
Vineyard, Craig M.
Rothganger, Fredrick H.
Carlson, Kristofor D.
Mulder, Samuel A.
Draelos, Timothy J.
Faust, Aleksandra
Marinella, Matthew J.
Naegle, John H.
Plimpton, Steven J.
TI A historical survey of algorithms and hardware architectures for
neural-inspired and neuromorphic computing applications
SO BIOLOGICALLY INSPIRED COGNITIVE ARCHITECTURES
LA English
DT Review
DE Neuromorphic computing; Algorithms; Artificial neural networks;
Data-driven computing; Machine learning; Pattern recognition
ID TIMING-DEPENDENT PLASTICITY; VISUAL-PATTERN RECOGNITION; LARGE-SCALE
MODEL; ADULT NEUROGENESIS; ELECTRONIC SYSTEMS; VERTEBRATE RETINA;
HOPFIELD NETWORKS; BRAIN PROJECT; MEMORY DEVICE; DENTATE GYRUS
AB Biological neural networks continue to inspire new developments in algorithms and microelectronic hardware to solve challenging data processing and classification problems. Here, we survey the history of neural-inspired and neuromorphic computing in order to examine the complex and intertwined trajectories of the mathematical theory and hardware developed in this field. Early research focused on adapting existing hardware to emulate the pattern recognition capabilities of living organisms. Contributions from psychologists, mathematicians, engineers, neuroscientists, and other professions were crucial to maturing the field from narrowly-tailored demonstrations to more generalizable systems capable of addressing difficult problem classes such as object detection and speech recognition. Algorithms that leverage fundamental principles found in neuroscience such as hierarchical structure, temporal integration, and robustness to error have been developed, and some of these approaches are achieving world-leading performance on particular data classification tasks. In addition, novel microelectronic hardware is being developed to perform logic and to serve as memory in neuromorphic computing systems with optimized system integration and improved energy efficiency. Key to such advancements was the incorporation of new discoveries in neuroscience research, the transition away from strict structural replication and towards the functional replication of neural systems, and the use of mathematical theory frameworks to guide algorithm and hardware developments. (C) 2016 Elsevier B.V. All rights reserved.
C1 [James, Conrad D.; Aimone, James B.; Miner, Nadine E.; Vineyard, Craig M.; Rothganger, Fredrick H.; Carlson, Kristofor D.; Mulder, Samuel A.; Draelos, Timothy J.; Faust, Aleksandra; Marinella, Matthew J.; Naegle, John H.; Plimpton, Steven J.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Faust, Aleksandra] Google X, Mountain View, CA USA.
RP James, CD (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM cdjame@sandia.gov
FU Sandia National Laboratories' Laboratory Directed Research and
Development Program; U.S. Department of Energy's National Nuclear
Security Administration [DE-AC04-94AL85000]
FX The authors gratefully acknowledge financial support from Sandia
National Laboratories' Laboratory Directed Research and Development
Program, and specifically the Hardware Acceleration of Adaptive Neural
Algorithms (HAANA) Grand Challenge Project. Sandia National Laboratories
is a multi-mission laboratory managed and operated by Sandia
Corporation, a wholly owned subsidiary of Lockheed Martin Corporation,
for the U.S. Department of Energy's National Nuclear Security
Administration under Contract No. DE-AC04-94AL85000.
NR 229
TC 0
Z9 0
U1 3
U2 3
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 2212-683X
EI 2212-6848
J9 BIOL INSPIR COGN ARC
JI Biol. Inspired Cogn. Archit.
PD JAN
PY 2017
VL 19
BP 49
EP 64
DI 10.1016/j.bica.2016.11.002
PG 16
WC Computer Science, Artificial Intelligence; Neurosciences
SC Computer Science; Neurosciences & Neurology
GA EO8PT
UT WOS:000396952800006
ER
PT J
AU Vijayakumar, M
Han, KS
Hu, JZ
Mueller, KT
AF Vijayakumar, Murugesan
Han, Kee Sung
Hu, Jianzhi
Mueller, Karl T.
TI Molecular Level Structure and Dynamics of Electrolytes Using O-17
Nuclear Magnetic Resonance Spectroscopy
SO EMAGRES
LA English
DT Article
DE electrolytes; O-17 NMR; solvation structure; NMR relaxation;
paramagnetic shift
ID REDOX-FLOW BATTERY; LI-ION BATTERIES; FUNCTIONAL THEORY CALCULATIONS;
CELL ELECTROLYTE; NMR-RELAXATION; ETHYLENE CARBONATE; EXCHANGE
REACTIONS; SOLVATE STRUCTURES; AQUEOUS-SOLUTIONS; PROTON-EXCHANGE
AB Electrolytes help harness the energy from electrochemical processes by serving as solvents and transport media for redox- active ions. Molecular- level interactions between ionic solutes and solvent molecules - commonly referred to as solvation phenomena - give rise to many functional properties of electrolytes such as ionic conductivity, viscosity, and stability. It is critical to understand the evolution of solvation phenomena as a function of competing counterions and solvent mixtures to predict and design the optimal electrolyte for a target application. Probing oxygen environments is of great interest as oxygens are located at strategic molecular sites in battery solvents and are directly involved in inter- and intramolecular solvation interactions. NMR signals from O-17 nuclei in battery electrolytes offer nondestructive bulk measurements of isotropic shielding, electric field gradient tensors, and transverse and longitudinal relaxation rates, which are excellent means for probing structure, bonding, and dynamics of both solute and solvent molecules. This article describes the use of O-17 NMR spectroscopy in probing the solvation structures of various electrolyte systems ranging from transition metal ions in aqueous solution to lithium cations in organic solvent mixtures.
C1 [Vijayakumar, Murugesan; Han, Kee Sung; Hu, Jianzhi] Pacific Northwest Natl Lab, Richland, WA 99354 USA.
[Mueller, Karl T.] Pacific Northwest Natl Lab, Phys & Computat Sci Directorate, Richland, WA USA.
RP Vijayakumar, M (reprint author), Pacific Northwest Natl Lab, Richland, WA 99354 USA.
FU Joint Center for Energy Storage Research(JCESR), an Energy Innovation
Hub - US Department of Energy (DOE), Office of Science, Basic Energy
Sciences (BES); Office of Electricity (OE) Delivery and Energy
Reliability, US DOE [57558]; DOE's Office of Biological and
Environmental Research; US DOE [DE-AC05-76RL01830]
FX The nonaqueous electrolyte synthesis and characterization research was
supported by the Joint Center for Energy Storage Research(JCESR), an
Energy Innovation Hub funded by the US Department of Energy (DOE),
Office of Science, Basic Energy Sciences (BES). The aqueous electrolyte
synthesis and characterization is supported by Office of Electricity
(OE) Delivery and Energy Reliability (project manager: Dr. Imre Gyuk),
US DOE under Contract #57558. The NMR measurements and computational
modeling were performed at the Environmental Molecular Sciences
Laboratory (EMSL), a national scientific user facility sponsored by the
DOE's Office of Biological and Environmental Research and located at
Pacific Northwest National Laboratory (PNNL). PNNL is operated for the
US DOE by Battelle Memorial Institute under contract number
DE-AC05-76RL01830.
NR 69
TC 0
Z9 0
U1 1
U2 1
PU WILEY
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 2055-6101
J9 EMAGRES
JI eMagRes
PY 2017
VL 6
IS 1
BP 71
EP 82
DI 10.1002/9780470034590.emrstm1529
PG 12
WC Spectroscopy
SC Spectroscopy
GA EO3RJ
UT WOS:000396611600005
ER
PT J
AU Gibbons, SJ
Pabian, F
Nasholm, SP
Kvaerna, T
Mykkeltveit, S
AF Gibbons, S. J.
Pabian, F.
Nasholm, S. P.
Kvaerna, T.
Mykkeltveit, S.
TI Accurate relative location estimates for the North Korean nuclear tests
using empirical slowness corrections
SO GEOPHYSICAL JOURNAL INTERNATIONAL
LA English
DT Article
DE Time-series analysis; Inverse theory; Seismic monitoring and test-ban
treaty verification
ID TEST-SITE; EARTHQUAKE LOCATION; PUNGGYE-RI; CALIFORNIA; SEQUENCE
AB Declared North Korean nuclear tests in 2006, 2009, 2013 and 2016 were observed seismically at regional and teleseismic distances. Waveform similarity allows the events to be located relatively with far greater accuracy than the absolute locations can be determined from seismic data alone. There is now significant redundancy in the data given the large number of regional and teleseismic stations that have recorded multiple events, and relative location estimates can be confirmed independently by performing calculations on many mutually exclusive sets of measurements. Using a 1-D global velocity model, the distances between the events estimated using teleseismic P phases are found to be approximately 25 per cent shorter than the distances between events estimated using regional Pn phases. The 2009, 2013 and 2016 events all take place within 1 km of each other and the discrepancy between the regional and teleseismic relative location estimates is no more than about 150 m. The discrepancy is much more significant when estimating the location of the more distant 2006 event relative to the later explosions with regional and teleseismic estimates varying by many hundreds of metres. The relative location of the 2006 event is challenging given the smaller number of observing stations, the lower signal-to-noise ratio and significant waveform dissimilarity at some regional stations. The 2006 event is however highly significant in constraining the absolute locations in the terrain at the Punggye-ri test-site in relation to observed surface infrastructure. For each seismic arrival used to estimate the relative locations, we define a slowness scaling factor which multiplies the gradient of seismic traveltime versus distance, evaluated at the source, relative to the applied 1-D velocity model. A procedure for estimating correction terms which reduce the double-difference time residual vector norms is presented together with a discussion of the associated uncertainty. The modified velocity gradients reduce the residuals, the relative location uncertainties and the sensitivity to the combination of stations used. The traveltime gradients appear to be overestimated for the regional phases, and teleseismic relative location estimates are likely to be more accurate despite an apparent lower precision. Calibrations for regional phases are essential given that smaller magnitude events are likely not to be recorded teleseismically. We discuss the implications for the absolute event locations. Placing the 2006 event under a local maximum of overburden at 41.293. N, 129.105. E would imply a location of 41.299. N, 129.075. E for the January 2016 event, providing almost optimal overburden for the later four events.
C1 [Gibbons, S. J.; Nasholm, S. P.; Kvaerna, T.; Mykkeltveit, S.] NORSAR, POB 53, N-2027 Kjeller, Norway.
[Pabian, F.] Los Alamos Natl Lab, Los Alamos, NM USA.
RP Gibbons, SJ (reprint author), NORSAR, POB 53, N-2027 Kjeller, Norway.
EM steven@norsar.no
FU Norwegian Ministry of Foreign Affairs
FX This work was partly supported by the Norwegian Ministry of Foreign
Affairs.
NR 22
TC 0
Z9 0
U1 0
U2 0
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0956-540X
EI 1365-246X
J9 GEOPHYS J INT
JI Geophys. J. Int.
PD JAN
PY 2017
VL 208
IS 1
BP 101
EP 117
DI 10.1093/gji/ggw379
PG 17
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA EO6PK
UT WOS:000396814800008
ER
PT J
AU Obae, SG
Brand, MH
Connolly, BA
Beasley, RR
Lance, SL
AF Obae, Samuel G.
Brand, Mark H.
Connolly, Bryan A.
Beasley, Rochelle R.
Lance, Stacey L.
TI Microsatellite Markers for Aronia melanocarpa (Black Chokeberry) and
Their Transferability to Other Aronia Species
SO HORTSCIENCE
LA English
DT Article
ID ROSACEAE; PCR
AB This study reports the development, characterization, and cross-species transferability of 20 genomic microsatellite markers for Aronia melanocarpa, an important nutraceutical fruit crop. The markers were developed with Illumina paired-end genomic sequencing technology using DNA from Professor Ed cultivar that was originally collected from the wild in New Hampshire. The markers were highly polymorphic and transferable to Aronia arbutifolia and Aronia prunifolia genomes. The average number of alleles per locus was 9.1, 4.5, and 5.6 for A. melanocarpa, A. arbutifolia, and A. prunifolia, respectively. The polymorphism information content (PIC) of loci ranged from 0.38 to 0.95 for all taxa, with an average of 0.80, 0.68, and 0.87 for A. melanocarpa, A. arbutifolia, and A. prunifolia, respectively. This is the first study to develop microsatellite markers in the Aronia genus. These markers will be very useful in studying the genetic diversity and population structure of wild Aronia and expediting the breeding efforts of this emerging fruit crop through marker-assisted selection.
C1 [Obae, Samuel G.] Stevenson Univ, Sch Sci, Dept Biol, 11200 Ted Herget Way, Owings Mills, MD 21117 USA.
[Brand, Mark H.] Univ Connecticut, Dept Plant Sci & Landscape Architecture, 1390 Storrs Rd, Storrs, CT 06269 USA.
[Connolly, Bryan A.] Framingham State Univ, Dept Biol, 100 State St, Framingham, MA 01701 USA.
[Beasley, Rochelle R.; Lance, Stacey L.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA.
RP Obae, SG (reprint author), Stevenson Univ, Sch Sci, Dept Biol, 11200 Ted Herget Way, Owings Mills, MD 21117 USA.
EM sobae@stevenson.edu
FU School of the Sciences, Stevenson University [648300]; Department of
Energy [DE-FC09-07SR22506]; National Cancer Institute [P30-CA046934]
FX This work was supported by the School of the Sciences, Stevenson
University, under seed grant no. 648300; Department of Energy under
grant no. DE-FC09-07SR22506 to the University of Georgia Research
Foundation. Bioinformatics support came from the University of Colorado
Cancer Center Bioinformatics Shared Resources, which is supported in
part by grant no. P30-CA046934 from the National Cancer Institute.
NR 21
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC HORTICULTURAL SCIENCE
PI ALEXANDRIA
PA 113 S WEST ST, STE 200, ALEXANDRIA, VA 22314-2851 USA
SN 0018-5345
EI 2327-9834
J9 HORTSCIENCE
JI Hortscience
PD JAN
PY 2017
VL 52
IS 1
BP 20
EP 23
DI 10.21273/HORTSCI11276-16
PG 4
WC Horticulture
SC Agriculture
GA EO2KW
UT WOS:000396526400004
ER
PT J
AU Genedy, M
Kandil, UF
Matteo, EN
Stormont, J
Taha, MMR
AF Genedy, Moneeb
Kandil, Usama F.
Matteo, Edward N.
Stormont, John
Taha, Mahmoud M. Reda
TI A new polymer nanocomposite repair material for restoring wellboreseal
integrity
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Article
DE Seal; Wellbore integrity; Micro annulus; Nanocomposites; Nanoalumina
ID GEOLOGIC SEQUESTRATION CONDITIONS; WELL CEMENT; MECHANICAL-PROPERTIES;
CO2; PARTICLES; PERFORMANCE; DEGRADATION; COMPOSITE; CONCRETE; BEHAVIOR
AB Seal integrity of functional oil wells and abandoned wellbores used for CO2 subsequent storage has become of significant interest with the oil and gas leaks worldwide. This is attributed to the fact that wellbores intersecting geographical formations contain potential leakage pathways. One of the critical leakage pathways is the cement-shale interface. In this paper, we examine the efficiency of a new polymer nanocomposite repair material that can be injected for sealing micro annulus in wellbores. The bond strength and microstructure of the interface of Type G oil well cement (reference), microfine cement, Novolac epoxy incorporating Neat, 0.25%, 0.5%, and 1.0% Aluminum Nanoparticles (ANPs) with shale is investigated. Interfacial bond strength testing shows that injected microfine cement repair has considerably low bond strength, while ANPs-epoxy nanocomposites have a bond strength that is an order of magnitude higher than cement. Microscopic investigations of the interface show that micro annulus interfacial cracks with widths up to 40 mu m were observed at the cement-shale interface while these cracks were absent at the cement-epoxy-shale interface. Fourier Transform Infrared and Dynamic mechanical analysis measurements showed that ANPs improve interfacial bond by limiting epoxy crosslinking, and therefore allowing epoxy to form robust bonds with cement and shale. (C) 2017 Elsevier Ltd. All rights reserved.
C1 [Genedy, Moneeb; Stormont, John; Taha, Mahmoud M. Reda] Univ New Mexico, Dept Civil Engn, MSC01 1070,1 Univ New Mexico, Albuquerque, NM 87131 USA.
[Kandil, Usama F.] EPRI, Polymer Nanocomposite Ctr Excellence, Cairo 11727, Egypt.
[Matteo, Edward N.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
RP Taha, MMR (reprint author), Univ New Mexico, Dept Civil Engn, MSC01 1070,1 Univ New Mexico, Albuquerque, NM 87131 USA.
EM mrtaha@unm.edu
FU U.S. Department of Energy (DOE) National Energy Technology Laboratory
(NETL) [DEFE0009562]; DOE/NETL; agency of the United States Government;
U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX This material is based upon work supported by the U.S. Department of
Energy (DOE) National Energy Technology Laboratory (NETL) under Grant
Number DEFE0009562. This project is managed and administered by the
DOE/NETL Storage Division and funded by DOE/NETL and cost-sharing
partners. This paper was prepared as an account of work sponsored by an
agency of the United States Government. Neither the United States
Government nor any agency there of, nor any of their employees, makes
any warranty, expressor 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 here in do not necessarily state or reflect those of the
United States Government or any agency thereof. The authors thank Epoxy
Chemicals, Inc. and Transpo Industries, Inc. for donating epoxy
materials to the project. Sandia National Laboratories is amultiprogram
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. SAND2016-4031J.
NR 33
TC 0
Z9 0
U1 0
U2 0
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 1750-5836
EI 1878-0148
J9 INT J GREENH GAS CON
JI Int. J. Greenh. Gas Control
PY 2017
VL 58
BP 290
EP 298
DI 10.1016/j.ijggc.2016.10.006
PG 9
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA EO7AL
UT WOS:000396843500025
ER
PT J
AU Genestreti, KJ
Goldstein, J
Corley, GD
Farner, W
Kistler, LM
Larsen, BA
Mouikis, CG
Ramnarace, C
Skoug, RM
Turner, NE
AF Genestreti, K. J.
Goldstein, J.
Corley, G. D.
Farner, W.
Kistler, L. M.
Larsen, B. A.
Mouikis, C. G.
Ramnarace, C.
Skoug, R. M.
Turner, N. E.
TI Temperature of the plasmasphere from Van Allen Probes HOPE
SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
LA English
DT Article
ID EQUATORIAL MAGNETOSPHERE; PROTON; WAVES
AB We introduce two novel techniques for estimating temperatures of very low energy space plasmas using, primarily, in situ data from an electrostatic analyzer mounted on a charged and moving spacecraft. The techniques are used to estimate proton temperatures during intervals where the bulk of the ion plasma is well below the energy bandpass of the analyzer. Both techniques assume that the plasma may be described by a one-dimensional (E) over right arrow x (B) over right arrow difting Maxwellian and that the potential field and motion of the spacecraft may be accounted for in the simplest possible manner, i.e., by a linear shift of coordinates. The first technique involves the application of a constrained theoretical fit to a measured distribution function. The second technique involves the comparison of total and partial-energy number densities. Both techniques are applied to Van Allen Probes Helium, Oxygen, Proton, and Electron (HOPE) observations of the proton component of the plasmasphere during two orbits on 15 January 2013. We find that the temperatures calculated from these two order-of-magnitude-type techniques are in good agreement with typical ranges of the plasmaspheric temperature calculated using retarding potential analyzer-based measurements-generally between 0.2 and 2 eV (2000-20,000 K). We also find that the temperature is correlated with L shell and hot plasma density and is negatively correlated with the cold plasma density. We posit that the latter of these three relationships may be indicative of collisional or wave-driven heating of the plasmasphere in the ring current overlap region. We note that these techniques may be easily applied to similar data sets or used for a variety of purposes.
C1 [Genestreti, K. J.; Goldstein, J.] Univ Texas San Antonio, Dept Phys & Astron, San Antonio, TX 78249 USA.
[Genestreti, K. J.; Goldstein, J.] Southwest Res Inst, Space Sci & Engn Div, San Antonio, TX 78238 USA.
[Genestreti, K. J.] Austrian Acad Sci, Space Res Inst, Graz, Austria.
[Corley, G. D.; Farner, W.; Ramnarace, C.; Turner, N. E.] Trinity Univ, Dept Phys & Astron, San Antonio, TX USA.
[Kistler, L. M.; Mouikis, C. G.] Univ New Hampshire, Ctr Space Sci, Durham, NH 03824 USA.
[Larsen, B. A.; Skoug, R. M.] Los Alamos Natl Lab, Los Alamos, NM USA.
RP Genestreti, KJ (reprint author), Univ Texas San Antonio, Dept Phys & Astron, San Antonio, TX 78249 USA.; Genestreti, KJ (reprint author), Southwest Res Inst, Space Sci & Engn Div, San Antonio, TX 78238 USA.; Genestreti, KJ (reprint author), Austrian Acad Sci, Space Res Inst, Graz, Austria.
EM keving1098@gmail.com
FU Zilker Endowment for Physics and Astronomy; U.S. Department of Energy
[LA-UR-16-23592]
FX Van Allen Probes HOPE data were obtained from the ECT team web page
(http://www.rbsp-ect.lanl.gov). EFW data were obtained from the EFW team
web page (http://www.space.umn.edu/rbspefw-data). The authors would like
to thank those who contributed to the success of the Van Allen Probes
mission. The work of Trinity University-affiliated coauthors was
supported by the Zilker Endowment for Physics and Astronomy. Work at Los
Alamos National Laboratory was performed under the auspices of the U.S.
Department of Energy, approved for unlimited release: LA-UR-16-23592.
The majority of this project was a result of volunteered time and
independent research. Kevin Genestreti would like to thank the coauthors
of this study and Lois Sarno-Smith for their time and enthusiasm,
without which this study would not have been possible, and Jorg-Micha
Jahn and Stephen Fuselier for their support and helpful suggestions.
NR 25
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SN 2169-9380
EI 2169-9402
J9 J GEOPHYS RES-SPACE
JI J. Geophys. Res-Space Phys.
PY 2017
VL 122
IS 1
BP 310
EP 323
DI 10.1002/2016JA023047
PG 14
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA EM9UE
UT WOS:000395655800025
ER
PT J
AU Goldstein, J
Angelopoulos, V
De Pascuale, S
Funsten, HO
Kurth, WS
LLera, K
McComas, DJ
Perez, JD
Reeves, GD
Spence, HE
Thaller, SA
Valek, PW
Wygant, JR
AF Goldstein, J.
Angelopoulos, V.
De Pascuale, S.
Funsten, H. O.
Kurth, W. S.
LLera, K.
McComas, D. J.
Perez, J. D.
Reeves, G. D.
Spence, H. E.
Thaller, S. A.
Valek, P. W.
Wygant, J. R.
TI Cross-scale observations of the 2015 St. Patrick's day storm: THEMIS,
Van Allen Probes, and TWINS
SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
LA English
DT Article
ID RING CURRENT PARTICLES; INNER MAGNETOSPHERE; PLASMA INSTRUMENT;
GEOMAGNETIC STORM; NOSE STRUCTURES; CURRENT IONS; IN-SITU; IONOSPHERE;
ENERGIES; CLUSTER
AB We present cross-scale magnetospheric observations of the 17 March 2015 (St. Patrick's Day) storm, by Time History of Events and Macroscale Interactions during Substorms (THEMIS), Van Allen Probes (Radiation Belt Storm Probes), and Two Wide-angle Imaging Neutral-atom Spectrometers (TWINS), plus upstream ACE/Wind solar wind data. THEMIS crossed the bow shock or magnetopause 22 times and observed the magnetospheric compression that initiated the storm. Empirical models reproduce these boundary locations within 0.7 R-E. Van Allen Probes crossed the plasmapause 13 times; test particle simulations reproduce these encounters within 0.5 R-E. Before the storm, Van Allen Probes measured quiet double-nose proton spectra in the region of corotating cold plasma. About 15 min after a 0605 UT dayside southward turning, Van Allen Probes captured the onset of inner magnetospheric convection, as a density decrease at the moving corotation-convection boundary (CCB) and a steep increase in ring current (RC) proton flux. During the first several hours of the storm, Van Allen Probes measured highly dynamic ion signatures (numerous injections and multiple spectral peaks). Sustained convection after similar to 1200 UT initiated a major buildup of the midnight-sector ring current (measured by RBSPA), with much weaker duskside fluxes (measured by RBSPB, THEMISa and THEMIS d). A close conjunction of THEMISd, RBSPA, and TWINS1 at 1631 UT shows good three-way agreement in the shapes of two-peak spectra from the center of the partial RC. A midstorm injection, observed by Van Allen Probes and TWINS at 1740 UT, brought in fresh ions with lower average energies (leading to globally less energetic spectra in precipitating ions) but increased the total pressure. The cross-scale measurements of 17March 2015 contain significant spatial, spectral, and temporal structure.
C1 [Goldstein, J.; LLera, K.; Valek, P. W.] Southwest Res Inst, Space Sci & Engn Div, San Antonio, TX 78238 USA.
[Goldstein, J.; LLera, K.; Valek, P. W.] Univ Texas San Antonio, Dept Phys & Astron, San Antonio, TX 78249 USA.
[Angelopoulos, V.] Univ Calif Los Angeles, Inst Geophys & Planetary Phys, Los Angeles, CA 90024 USA.
[De Pascuale, S.; Kurth, W. S.] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA.
[Funsten, H. O.; Reeves, G. D.] Los Alamos Natl Lab, Los Alamos, NM USA.
[McComas, D. J.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA.
[Perez, J. D.] Auburn Univ, Dept Phys, Auburn, AL 36849 USA.
[Spence, H. E.] Univ New Hampshire, Inst Study Earth Oceans & Space, Durham, NH 03824 USA.
[Thaller, S. A.; Wygant, J. R.] Univ Minnesota, Dept Phys & Astron, Minneapolis, MN 55455 USA.
RP Goldstein, J (reprint author), Southwest Res Inst, Space Sci & Engn Div, San Antonio, TX 78238 USA.; Goldstein, J (reprint author), Univ Texas San Antonio, Dept Phys & Astron, San Antonio, TX 78249 USA.
EM jgoldstein@swri.edu
OI Spence, Harlan/0000-0002-2526-2205; Kurth, William/0000-0002-5471-6202;
Reeves, Geoffrey/0000-0002-7985-8098; LLera, Kristie/0000-0002-4460-7360
FU NASA [NNX14AC14G, NAS5-01072]; TWINS mission as a part of NASA's
Explorer Program; RBSP-ECT by JHU/APL [967399]; JHU/APL [921647, 922613]
FX THEMIS and OMNI solar wind data are accessible via CDAWeb at
https://cdaweb.gsfc.nasa.gov/. Van Allen Probes data (and plasmapause
test particle simulations) are publicly accessible via the ECT, EMFISIS,
and EFW links at https://rbspgway.jhuapl.edu/.TWINS data are accessible
to the public at http://twins.swri.edu.Dst data are available from the
World Data Center for Geomagnetism in Kyoto,
https://wdc.kugi.kyoto-u.ac.jp/wdc/Sec3. html. This research has made
use of NASA's Astrophysics Data System. This project was supported by
the NASA Heliophysics Guest Investigator progam under NNX14AC14G, by the
TWINS mission as a part of NASA's Explorer Program, and by RBSP-ECT
funding provided by JHU/APL contract 967399 under NASA's prime contract
NAS5-01072. The research at University of Iowa was supported by JHU/APL
contract 921647 under NASA prime contract NAS5-01072. The work by the
EFW team was conducted under JHU/APL contract 922613 (RBSP-EFW).
NR 61
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PI WASHINGTON
PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA
SN 2169-9380
EI 2169-9402
J9 J GEOPHYS RES-SPACE
JI J. Geophys. Res-Space Phys.
PY 2017
VL 122
IS 1
BP 368
EP 392
DI 10.1002/2016JA023173
PG 25
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA EM9UE
UT WOS:000395655800029
ER
PT J
AU Gary, SP
Fu, XR
Cowee, MM
Winske, D
Liu, KJ
AF Gary, S. Peter
Fu, Xiangrong
Cowee, Misa M.
Winske, Dan
Liu, Kaijun
TI Scalings for the Alfven-cyclotron instability: Linear dispersion theory
and hybrid particle-in-cell simulations
SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
LA English
DT Article
DE Alfven-cyclotron; instability magnetospheric physics
ID INNER MAGNETOSPHERE; ION; PLASMA; WAVES
AB The Alfven-cyclotron instability is driven by an ion temperature anisotropy such that T-perpendicular to/T-|| >1 where and || denote directions perpendicular and parallel to a uniform background magnetic field B-o, respectively. The computations presented here consider a model of a magnetized, homogeneous, collisionless plasma. Two representations of the proton velocity distribution are considered: a single bi-Maxwellian and a magnetospheric-like configuration of two components, a more dense, relatively cool, isotropic component and a less dense, relatively hot, bi-Maxwellian component which drives the instability. Only wave propagation parallel to B-o is considered. Using numerical solutions of the full kinetic linear dispersion equation, concise analytic expressions for the scaling of the dimensionless maximum instability growth rate and the corresponding dimensionless real frequency are derived as functions of three dimensionless variables: the hot proton temperature anisotropy, the relative hot proton density, and the hot proton (||). Furthermore, using one-dimensional hybrid particle-in-cell simulations of this same instability, a third relation for the scaling of the maximum amplitude of the dimensionless fluctuating magnetic field energy density is derived.
C1 [Gary, S. Peter] Space Sci Inst, Boulder, CO 80301 USA.
[Fu, Xiangrong] New Mexico Consortium, Los Alamos, NM USA.
[Cowee, Misa M.; Winske, Dan] Los Alamos Natl Lab, Los Alamos, NM USA.
[Liu, Kaijun] Auburn Univ, Dept Phys, Auburn, AL 36849 USA.
RP Gary, SP (reprint author), Space Sci Inst, Boulder, CO 80301 USA.
EM pgary@lanl.gov
OI Gary, S. Peter/0000-0002-4655-2316
FU U. S. Department of Energy; NASA grants [NNH13AW83I, NNH14AX90I];
NSF-GEM projects [1303300, 1303623]
FX The portion of this work carried out at Los Alamos National Laboratory
was performed under the auspices of the U. S. Department of Energy. The
research of X.F. was supported by NASA grants NNH13AW83I and NNH14AX90I.
The research efforts of SPG and KL were supported by NSF-GEM projects
1303300 and 1303623, respectively. The numerical values used in this
manuscript are listed in the references, figures, and tables. Numerical
values not explicitly stated are available from SPG upon request.
NR 21
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SN 2169-9380
EI 2169-9402
J9 J GEOPHYS RES-SPACE
JI J. Geophys. Res-Space Phys.
PY 2017
VL 122
IS 1
BP 464
EP 474
DI 10.1002/2016JA023425
PG 11
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA EM9UE
UT WOS:000395655800034
ER
PT J
AU Menz, AM
Kistler, LM
Mouikis, CG
Spence, HE
Skoug, RM
Funsten, HO
Larsen, BA
Mitchell, DG
Gkioulidou, M
AF Menz, A. M.
Kistler, L. M.
Mouikis, C. G.
Spence, H. E.
Skoug, R. M.
Funsten, H. O.
Larsen, B. A.
Mitchell, D. G.
Gkioulidou, M.
TI The role of convection in the buildup of the ring current pressure
during the 17 March 2013 storm
SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
LA English
DT Article
DE ring current; convection; inner magnetosphere; geomagnetic storm;
adiabatic transport
ID MAIN PHASE
AB On 17 March 2013, the Van Allen Probes measured the H+ and O+ fluxes of the ring current during a large geomagnetic storm. Detailed examination of the pressure buildup during the storm shows large differences in the pressure measured by the two spacecraft, with measurements separated by only an hour, and large differences in the pressure measured at different local times. In addition, while the H+ and O+ pressure contributions are about equal during the main phase in the near-Earth plasma sheet outside L=5.5, the O+ pressure dominates at lower L values. We test whether adiabatic convective transport from the near-Earth plasma sheet (L>5.5) to the inner magnetosphere can explain these observations by comparing the observed inner magnetospheric distributions with the source distribution at constant magnetic moment, mu. We find that adiabatic convection can account for the enhanced pressure observed during the storm. Using a Weimer 1996 electric field we model the drift trajectories to show that the key features can be explained by variation in the near-Earth plasma sheet population and particle access that changes with energy and L shell. Finally, we show that the dominance of O+ at low L shells is due partly to a near-Earth plasma sheet that is preferentially enhanced in O+ at lower energies (5-10keV) and partly due to the time dependence in the source combined with longer drift times to low L shells. No source of O+ inside L=5.5 is required to explain the observations at low L shells.
C1 [Menz, A. M.; Kistler, L. M.; Mouikis, C. G.; Spence, H. E.] Univ New Hampshire, Ctr Space Sci, Morse Hall, Durham, NH 03824 USA.
[Skoug, R. M.; Funsten, H. O.; Larsen, B. A.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Mitchell, D. G.; Gkioulidou, M.] Appl Phys Lab, Laurel, MD USA.
RP Menz, AM (reprint author), Univ New Hampshire, Ctr Space Sci, Morse Hall, Durham, NH 03824 USA.
EM ast63@wildcats.unh.edu
OI Spence, Harlan/0000-0002-2526-2205
FU NASA [NNX14AC03G]; RBSP-ECT-JHU/APL under NASA [967399, NAS5-01072];
JHU/APL under NASA [NAS5-01072]
FX Work at UNH was supported by NASA under grant NNX14AC03G and by RBSP-ECT
funding provided by JHU/APL contract 967399 under NASA's Prime contract
NAS5-01072. The RBSPICE instrument is supported by JHU/APL subcontract
937836 to the New Jersey Institute of Technology under NASA Prime
contract NAS5-01072. HOPE data used in this paper were downloaded from
http://www.rbsp-ect. anl.gov/ rbsp_ect.php.RBSPICE data were downloaded
from http://rbspice.ftecs. com/.Solar wind plasma and IMF data and the
Kp and SYM-H indices were obtained from http://omniweb.gsfc. nasa.gov.
NR 23
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PI WASHINGTON
PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA
SN 2169-9380
EI 2169-9402
J9 J GEOPHYS RES-SPACE
JI J. Geophys. Res-Space Phys.
PY 2017
VL 122
IS 1
BP 475
EP 492
DI 10.1002/2016JA023358
PG 18
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA EM9UE
UT WOS:000395655800035
ER
PT J
AU Turner, DL
O'Brien, TP
Fennell, JF
Claudepierre, SG
Blake, JB
Jaynes, AN
Baker, DN
Kanekal, S
Gkioulidou, M
Henderson, MG
Reeves, GD
AF Turner, D. L.
O'Brien, T. P.
Fennell, J. F.
Claudepierre, S. G.
Blake, J. B.
Jaynes, A. N.
Baker, D. N.
Kanekal, S.
Gkioulidou, M.
Henderson, M. G.
Reeves, G. D.
TI Investigating the source of near-relativistic and relativistic electrons
in Earth's inner radiation belt
SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
LA English
DT Article
ID PHASE-SPACE DENSITY; GEOMAGNETIC STORMS; IMPENETRABLE BARRIER; ZEBRA
STRIPES; OUTER ZONE; ACCELERATION; ENERGY; DYNAMICS; PARTICLE;
MAGNETOSPHERE
AB Using observations from NASA's Van Allen Probes, we study the role of sudden particle enhancements at low L shells (SPELLS) as a source of inner radiation belt electrons. SPELLS events are characterized by electron intensity enhancements of approximately an order of magnitude or more in less than 1day at L<3. During quiet and average geomagnetic conditions, the phase space density radial distributions for fixed first and second adiabatic invariants are peaked at 2. This work was
primarily supported by funding from NASA (Van Allen Probes contract
NAS5-01072) and research supported by the International Space Science
Institute's International Teams program.
NR 51
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PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA
SN 2169-9380
EI 2169-9402
J9 J GEOPHYS RES-SPACE
JI J. Geophys. Res-Space Phys.
PY 2017
VL 122
IS 1
BP 695
EP 710
DI 10.1002/2016JA023600
PG 16
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA EM9UE
UT WOS:000395655800048
ER
PT J
AU Agnes, P
Albuquerque, IFM
Alexander, T
Alton, AK
Asner, DM
Back, HO
Baldin, B
Biery, K
Bocci, V
Bonfini, G
Bonivento, W
Bossa, M
Bottino, B
Brigatti, A
Brodsky, J
Budano, F
Bussino, S
Cadeddu, M
Cadoni, M
Calaprice, F
Canci, N
Candela, A
Caravati, M
Cariello, M
Carlini, M
Catalanotti, S
Cavalcante, P
Chepurnov, A
Cicalo, C
Cocco, AG
Covone, G
D'Angelo, D
D'Incecco, M
Davini, S
De Cecco, S
De Deo, M
De Vincenzi, M
Derbin, A
Devoto, A
Di Eusanio, F
Di Pietro, G
Dionisi, C
Edkins, E
Empl, A
Fan, A
Fiorillo, G
Fomenko, K
Forster, G
Franco, D
Gabriele, F
Galbiati, C
Giagu, S
Giganti, C
Giovanetti, GK
Goretti, AM
Granato, F
Gromov, M
Guan, M
Guardincerri, Y
Hackett, BR
Herner, K
Hughes, D
Humble, P
Hungerford, EV
Ianni, A
James, I
Johnson, TN
Jollet, C
Keeter, K
Kendziora, CL
Koh, G
Korablev, D
Korga, G
Kubankin, A
Li, X
Lissia, M
Loer, B
Lombardi, P
Longo, G
Ma, Y
Machulin, IN
Mandarano, A
Mari, SM
Maricic, J
Marini, L
Martoff, CJ
Meregaglia, A
Meyers, PD
Milincic, R
Miller, JD
Montanari, D
Monte, A
Mount, BJ
Muratova, VN
Musico, P
Napolitano, J
Agasson, AN
Odrowski, S
Oleinik, A
Orsini, M
Ortica, F
Pagani, L
Pallavicini, M
Pantic, E
Parmeggiano, S
Pelczar, K
Pelliccia, N
Pocar, A
Pordes, S
Pugachev, DA
Qian, H
Randle, K
Ranucci, G
Razeti, M
Razeto, A
Reinhold, B
Renshaw, AL
Rescigno, M
Riffard, Q
Romani, A
Rossi, B
Rossi, N
Rountree, D
Sablone, D
Saggese, P
Sands, W
Savarese, C
Schlitzer, B
Segreto, E
Semenov, DA
Shields, E
Singh, PN
Skorokhvatov, MD
Smirnov, O
Sotnikov, A
Stanford, C
Suvorov, Y
Tartaglia, R
Tatarowicz, J
Testera, G
Tonazzo, A
Trinchese, P
Unzhakov, EV
Verducci, M
Vishneva, A
Vogelaar, B
Wada, M
Walker, S
Wang, H
Wang, Y
Watson, AW
Westerdale, S
Wilhelmi, J
Wojcik, MM
Xiang, X
Xiao, X
Xu, J
Yang, C
Zhong, W
Zhu, C
Zuzel, G
AF Agnes, P.
Albuquerque, I. F. M.
Alexander, T.
Alton, A. K.
Asner, D. M.
Back, H. O.
Baldin, B.
Biery, K.
Bocci, V.
Bonfini, G.
Bonivento, W.
Bossa, M.
Bottino, B.
Brigatti, A.
Brodsky, J.
Budano, F.
Bussino, S.
Cadeddu, M.
Cadoni, M.
Calaprice, F.
Canci, N.
Candela, A.
Caravati, M.
Cariello, M.
Carlini, M.
Catalanotti, S.
Cavalcante, P.
Chepurnov, A.
Cicalo, C.
Cocco, A. G.
Covone, G.
D'Angelo, D.
D'Incecco, M.
Davini, S.
De Cecco, S.
De Deo, M.
De Vincenzi, M.
Derbin, A.
Devoto, A.
Di Eusanio, F.
Di Pietro, G.
Dionisi, C.
Edkins, E.
Empl, A.
Fan, A.
Fiorillo, G.
Fomenko, K.
Forster, G.
Franco, D.
Gabriele, F.
Galbiati, C.
Giagu, S.
Giganti, C.
Giovanetti, G. K.
Goretti, A. M.
Granato, F.
Gromov, M.
Guan, M.
Guardincerri, Y.
Hackett, B. R.
Herner, K.
Hughes, D.
Humble, P.
Hungerford, E. V.
Ianni, A.
James, I.
Johnson, T. N.
Jollet, C.
Keeter, K.
Kendziora, C. L.
Koh, G.
Korablev, D.
Korga, G.
Kubankin, A.
Li, X.
Lissia, M.
Loer, B.
Lombardi, P.
Longo, G.
Ma, Y.
Machulin, I. N.
Mandarano, A.
Mari, S. M.
Maricic, J.
Marini, L.
Martoff, C. J.
Meregaglia, A.
Meyers, P. D.
Milincic, R.
Miller, J. D.
Montanari, D.
Monte, A.
Mount, B. J.
Muratova, V. N.
Musico, P.
Napolitano, J.
Agasson, A. Navrer
Odrowski, S.
Oleinik, A.
Orsini, M.
Ortica, F.
Pagani, L.
Pallavicini, M.
Pantic, E.
Parmeggiano, S.
Pelczar, K.
Pelliccia, N.
Pocar, A.
Pordes, S.
Pugachev, D. A.
Qian, H.
Randle, K.
Ranucci, G.
Razeti, M.
Razeto, A.
Reinhold, B.
Renshaw, A. L.
Rescigno, M.
Riffard, Q.
Romani, A.
Rossi, B.
Rossi, N.
Rountree, D.
Sablone, D.
Saggese, P.
Sands, W.
Savarese, C.
Schlitzer, B.
Segreto, E.
Semenov, D. A.
Shields, E.
Singh, P. N.
Skorokhvatov, M. D.
Smirnov, O.
Sotnikov, A.
Stanford, C.
Suvorov, Y.
Tartaglia, R.
Tatarowicz, J.
Testera, G.
Tonazzo, A.
Trinchese, P.
Unzhakov, E. V.
Verducci, M.
Vishneva, A.
Vogelaar, B.
Wada, M.
Walker, S.
Wang, H.
Wang, Y.
Watson, A. W.
Westerdale, S.
Wilhelmi, J.
Wojcik, M. M.
Xiang, X.
Xiao, X.
Xu, J.
Yang, C.
Zhong, W.
Zhu, C.
Zuzel, G.
TI Effect of low electric fields on alpha scintillation light yield in
liquid argon
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article
DE Time projection chambers; Large detector systems for particle and
astroparticle physics; Dark Matter detectors (WIMPs, axions, etc.)
AB Measurements were made of scintillation light yield of alpha particles from the Rn-222 decay chain within the DarkSide-50 liquid argon time projection chamber. The light yield was found to increase as the applied electric field increased, with alphas in a 200 V/cm electric field exhibiting a similar to 2% increase in light yield compared to alphas in no field.
C1 [Agnes, P.; Franco, D.; Riffard, Q.; Tonazzo, A.] Univ Paris Diderot, CNRS, APC, IN2P3,CEA Irfu,USPC, F-75205 Paris, France.
[Albuquerque, I. F. M.; Maricic, J.] Univ Sao Paulo, Inst Fis, BR-05508090 Sao Paulo, Brazil.
[Alexander, T.; Asner, D. M.; Back, H. O.; Humble, P.; Loer, B.] Pacific Northwest Natl Lab, Richland, WA 99352 USA.
[Alton, A. K.] Augustana Univ, Dept Phys, Sioux Falls, SD 57197 USA.
[Baldin, B.; Biery, K.; Forster, G.; Guardincerri, Y.; Herner, K.; Montanari, D.; Pordes, S.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
[Bocci, V.; Dionisi, C.; Fomenko, K.; Giagu, S.; Rescigno, M.; Verducci, M.] Ist Nazl Fis Nucl, Sez Roma, I-00185 Rome, Italy.
[Bonivento, W.; Cadeddu, M.; Cadoni, M.; Caravati, M.; Cicalo, C.; Devoto, A.; Lissia, M.; Razeti, M.] Ist Nazl Fis Nucl, I-09042 Cagliari, Italy.
[Bossa, M.; Davini, S.; Mandarano, A.; Savarese, C.] Gran Sasso Sci Inst, I-67100 Laquila, Italy.
[Bottino, B.; Marini, L.; Pagani, L.; Pallavicini, M.] Univ Genoa, Dept Phys, I-16146 Genoa, Italy.
[Bottino, B.; Cariello, M.; Davini, S.; Marini, L.; Musico, P.; Pallavicini, M.; Testera, G.] Ist Nazl Fis Nucl, I-16146 Genoa, Italy.
[Renshaw, A. L.] Ist Nazl Fis Nucl, I-20133 Milan, Italy.
[Brodsky, J.; Calaprice, F.; Di Eusanio, F.; Galbiati, C.; Giovanetti, G. K.; Hughes, D.; Ianni, A.; Koh, G.; Li, X.; Meyers, P. D.; Qian, H.; Randle, K.; Razeto, A.; Rossi, B.; Sablone, D.; Sands, W.; Shields, E.; Stanford, C.; Wada, M.; Westerdale, S.; Xiang, X.; Xu, J.; Zhu, C.] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA.
[Brigatti, A.; Budano, F.; Bussino, S.; De Vincenzi, M.; James, I.; Mari, S. M.] Ist Nazl Fis Nucl, I-00146 Rome, Italy.
[Budano, F.; Bussino, S.; De Vincenzi, M.; James, I.; Mari, S. M.] Univ Rome, Math & Phys Dept, I-00146 Rome, Italy.
[Cadeddu, M.; Cadoni, M.; Caravati, M.; Devoto, A.] Univ Cagliari, Dept Phys, I-09042 Cagliari, Italy.
[Canci, N.; Empl, A.; Hungerford, E. V.; Korga, G.; Miller, J. D.; Renshaw, A. L.; Sablone, D.; Singh, P. N.] Univ Houston, Dept Phys, Houston, TX USA.
[Catalanotti, S.; Covone, G.; Di Pietro, G.; Fiorillo, G.; Longo, G.; Trinchese, P.; Walker, S.] Univ Naples Federico II, Dept Phys, I-80126 Naples, Italy.
[Catalanotti, S.; Cocco, A. G.; Covone, G.; Di Pietro, G.; Fiorillo, G.; Longo, G.; Ortica, F.; Rossi, B.; Trinchese, P.; Walker, S.] Ist Nazl Fis Nucl, I-80126 Naples, Italy.
[Chepurnov, A.; Gromov, M.] Lomonosov Moscow State Univ, Inst Nucl Phys, Moscow 119991, Russia.
[D'Angelo, D.] Univ Milan, Dept Phys, I-20133 Milan, Italy.
[De Cecco, S.; Giganti, C.; Agasson, A. Navrer] Univ Paris 06, Sorbonne Univ, CNRS, LPNHE, F-75252 Paris, France.
[Derbin, A.; Muratova, V. N.; Semenov, D. A.; Unzhakov, E. V.] St Petersburg Nucl Phys Inst, Gatchina 188350, Russia.
[Dionisi, C.; Fomenko, K.; Giagu, S.; Verducci, M.] Sapienza Univ Roma, Dept Phys, I-00185 Rome, Italy.
[Edkins, E.; Hackett, B. R.; Maricic, J.; Milincic, R.; Reinhold, B.] Univ Hawaii, Dept Phys & Astron, Honolulu, HI 96822 USA.
[Fan, A.; Suvorov, Y.; Wang, H.; Wang, Y.; Xiao, X.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA USA.
[Dionisi, C.; Fomenko, K.; Korablev, D.; Smirnov, O.; Sotnikov, A.; Vishneva, A.] Joint Inst Nucl Res, Dubna 141980, Russia.
[Forster, G.; Monte, A.; Pocar, A.] Univ Massachusetts, Amherst Ctr Fundamental Interact & Phys, Dept, Amherst, MA USA.
[Granato, F.; Martoff, C. J.; Napolitano, J.; Tatarowicz, J.; Watson, A. W.; Wilhelmi, J.] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA.
[Guan, M.; Ma, Y.; Wang, Y.; Zhong, W.] Inst High Energy Phys, Beijing 100049, Peoples R China.
[Johnson, T. N.; Kubankin, A.; Pantic, E.; Schlitzer, B.] Univ Calif Davis, Dept Phys, Davis, CA USA.
[Jollet, C.; Meregaglia, A.; Yang, C.] Univ Strasbourg, CNRS, IN2P3, F-67037 Strasbourg, France.
[Keeter, K.; Mount, B. J.] Black Hills State Univ, Sch Nat Sci, Spearfish, SD 57799 USA.
[Kubankin, A.; Oleinik, A.] Belgorod Natl Res Univ, Radiat Phys Lab, Belgorod 308007, Russia.
[Machulin, I. N.; Pugachev, D. A.; Skorokhvatov, M. D.; Suvorov, Y.] Kurchatov Inst, Natl Res Ctr, Moscow 123182, Russia.
[Machulin, I. N.; Skorokhvatov, M. D.] Natl Res Nucl Univ MEPhI, Moscow 115409, Russia.
[Ortica, F.; Pelliccia, N.; Romani, A.] Univ Perugia, Chem Biol & Biotechnol Dept, I-06123 Perugia, Italy.
[Pelliccia, N.; Romani, A.] Ist Nazl Fis Nucl, I-06123 Perugia, Italy.
[Pelczar, K.; Wojcik, M. M.; Zuzel, G.] Jagiellonian Univ, M Smoluchowski Inst Phys, PL-30348 Krakow, Poland.
[Segreto, E.] Univ Estadual Campinas, Inst Phys, BR-13083 Campinas, Brazil.
RP Stanford, C (reprint author), Ist Nazl Fis Nucl, I-00146 Rome, Italy.
EM jcjs@princeton.edu
RI Ortica, Fausto/C-1001-2013; Romani, Aldo/G-8103-2012;
OI Ortica, Fausto/0000-0001-8276-452X; Romani, Aldo/0000-0002-7338-0097;
Unzhakov, Evgeniy/0000-0003-2952-6412; Canci,
Nicola/0000-0002-4797-4297; Rossi, Nicola/0000-0002-7046-528X
FU US NSF [PHY-0919363, PHY-1004072, PHY-1004054, PHY-1242585, PHY-1314483,
PHY-1314507, PHY-1211308, PHY-1606912, PHY-1455351]; Italian Istituto
Nazionale di Fisica Nucleare (INFN); U.S. DOE [DE-FG02-91ER40671,
DE-AC02-07CH11359]; Polish NCN [UMO-2014/15/B/ST2/02561]; Russian
Science Foundation [16-12-10369]; UnivEarthS Labex program of Sorbonne
Paris Cite [ANR-10-LABX-0023, ANR-11-IDEX-0005-02]; Sao Paulo Research
Foundation (FAPESP)
FX The DarkSide-50 Collaboration would like to thank LNGS laboratory and
its staff for invaluable technical and logistical support. This report
is based upon work supported by the US NSF (Grants PHY-0919363,
PHY-1004072, PHY-1004054, PHY-1242585, PHY-1314483, PHY-1314507 and
associated collaborative grants; Grants PHY-1211308, PHY-1606912, and
PHY-1455351), the Italian Istituto Nazionale di Fisica Nucleare (INFN),
the U.S. DOE (Contract Nos. DE-FG02-91ER40671 and DE-AC02-07CH11359),
the Polish NCN (Grant UMO-2014/15/B/ST2/02561), and the Russian Science
Foundation Grant No. 16-12-10369. We thank the staff of the Fermilab
Particle Physics, Scientific and Core Computing Divisions for their
support. We acknowledge the financial support from the UnivEarthS Labex
program of Sorbonne Paris Cite (ANR-10-LABX-0023 and
ANR-11-IDEX-0005-02) and from the Sao Paulo Research Foundation
(FAPESP).
NR 7
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U1 3
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PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
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J9 J INSTRUM
JI J. Instrum.
PD JAN
PY 2017
VL 12
AR P01021
DI 10.1088/1748-0221/12/01/P01021
PG 8
WC Instruments & Instrumentation
SC Instruments & Instrumentation
GA EN1KT
UT WOS:000395769600021
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PT J
AU Khachatryan, V
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CA CMS Collaboration
TI The CMS trigger system
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article
DE Trigger concepts and systems (hardware and software); Trigger detectors;
Data acquisition circuits
ID MUON SYSTEM; CALORIMETER; PERFORMANCE; DETECTOR; TRACK; LHC
AB This paper describes the CMS trigger system and its performance during Run 1 of the LHC. The trigger system consists of two levels designed to select events of potential physics interest from a GHz (MHz) interaction rate of proton-proton (heavy ion) collisions. The first level of the trigger is implemented in hardware, and selects events containing detector signals consistent with an electron, photon, muon, tau lepton, jet, or missing transverse energy. A programmable menu of up to 128 object-based algorithms is used to select events for subsequent processing. The trigger thresholds are adjusted to the LHC instantaneous luminosity during data taking in order to restrict the output rate to 100 kHz, the upper limit imposed by the CMS readout electronics. The second level, implemented in software, further refines the purity of the output stream, selecting an average rate of 400 Hz for offline event storage. The objectives, strategy and performance of the trigger system during the LHC Run 1 are described.
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[Toriashvili, T.; Tsamalaidze, Z.] Tbilisi State Univ, Tbilisi, Rep of Georgia.
[Autermann, C.; Beranek, S.; Edelhoff, M.; Feld, L.; Heister, A.; Kiesel, M. K.; Klein, K.; Lipinski, M.; Ostapchuk, A.; Preuten, M.; Raupach, F.; Schael, S.; Schulte, J. F.; Verlage, T.; Weber, H.; Wittmer, B.; Zhukov, V.] Rhein Westfal TH Aachen, Inst Phys 1, Aachen, Germany.
[Ata, M.; Brodski, M.; Dietz-Laursonn, E.; Duchardt, D.; Endres, M.; Erdmann, M.; Erdweg, S.; Esch, T.; Fischer, R.; Gueth, A.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Klingebiel, D.; Knutzen, S.; Kreuzer, P.; Merschmeyer, M.; Meyer, A.; Millet, P.; Olschewski, M.; Padeken, K.; Papacz, P.; Pook, T.; Radziej, M.; Reithler, H.; Rieger, M.; Scheuch, F.; Sonnenschein, L.; Teyssier, D.; Thueer, S.; Borras, K.] Rhein Westfal TH Aachen, Phys Inst A 3, Aachen, Germany.
[Cherepanov, V.; Erdogan, Y.; Fluegge, G.; Geenen, H.; Geisler, M.; Hoehle, F.; Kargoll, B.; Kress, T.; Kuessel, Y.; Kuensken, A.; Lingemann, J.; Nehrkorn, A.; Nowack, A.; Nugent, I. M.; Pistone, C.; Pooth, O.; Stahl, A.] Rhein Westfal TH Aachen, Phys Inst B 3, Aachen, Germany.
[Martin, M. Aldaya; Asin, I.; Bartosik, N.; Behnke, O.; Behrens, U.; Bell, A. J.; Borras, K.; Burgmeier, A.; Campbell, A.; Choudhury, S.; Costanza, F.; Pardos, C. Diez; Dolinska, G.; Dooling, S.; Dorland, T.; Eckerlin, G.; Eckstein, D.; Eichhorn, T.; Flucke, G.; Gallo, E.; Garcia, J. Garay; Geiser, A.; Gizhko, A.; Gunnellini, P.; Hauk, J.; Hempel, M.; Jung, H.; Kalogeropoulos, A.; Karacheban, O.; Kasemann, M.; Katsas, P.; Kieseler, J.; Kleinwort, C.; Korol, I.; Lange, W.; Leonard, J.; Lipka, K.; Lobanov, A.; Lohmann, W.; Mankel, R.; Marfin, I.; Melzer-Pellmann, I. -A.; Meyer, A. B.; Mittag, G.; Mnich, J.; Mussgiller, A.; Naumann-Emme, S.; Nayak, A.; Ntomari, E.; Perrey, H.; Pitzl, D.; Placakyte, R.; Raspereza, A.; Roland, B.; Sahin, M. Oe.; Saxena, P.; Schoerner-Sadenius, T.; Schroeder, M.; Seitz, C.; Spannagel, S.; Trippkewitz, K. D.; Walsh, R.; Wissing, C.] DESY, Hamburg, Germany.
[Gallo, E.; Blobel, V.; Vignali, M. Centis; Draeger, A. R.; Erfle, J.; Garutti, E.; Goebel, K.; Gonzalez, D.; Goerner, M.; Haller, J.; Hoffmann, M.; Hoeing, R. S.; Junkes, A.; Klanner, R.; Kogler, R.; Kovalchuk, N.; Lapsien, T.; Lenz, T.; Marchesini, I.; Marconi, D.; Meyer, M.; Nowatschin, D.; Ott, J.; Pantaleo, F.; Peiffer, T.; Perieanu, A.; Pietsch, N.; Poehlsen, J.; Rathjens, D.; Sander, C.; Scharf, C.; Schettler, H.; Schleper, P.; Schlieckau, E.; Schmidt, A.; Schwandt, J.; Sola, V.; Stadie, H.; Steinbrueck, G.; Tholen, H.; Troendle, D.; Usai, E.; Vanelderen, L.; Vanhoefer, A.; Vormwald, B.] Univ Hamburg, Hamburg, Germany.
[Akbiyik, M.; Barth, C.; Baus, C.; Berger, J.; Boeser, C.; Butz, E.; Chwalek, T.; Colombo, F.; De Boer, W.; Descroix, A.; Dierlamm, A.; Fink, S.; Frensch, F.; Friese, R.; Giffels, M.; Gilbert, A.; Haitz, D.; Hartmann, F.; Heindl, S. M.; Husemann, U.; Katkov, I.; Kornmayer, A.; Pardo, P. Lobelle; Maier, B.; Mildner, H.; Mozer, M. U.; Mueller, T.; Mueller, Th.; Plagge, M.; Quast, G.; Rabbertz, K.; Roecker, S.; Roscher, F.; Sieber, G.; Simonis, H. J.; Stober, F. M.; Ulrich, R.; Wagner-Kuhr, J.; Wayand, S.; Weber, M.; Weiler, T.; Woehrmann, C.; Wolf, R.] Inst Expt Kernphys, Karlsruhe, Germany.
[Anagnostou, G.; Daskalakis, G.; Geralis, T.; Giakoumopoulou, V. A.; Kyriakis, A.; Loukas, D.; Psallidas, A.; Topsis-Giotis, I.] NCSR Demokritos, Inst Nucl & Particle Phys, Aghia Paraskevi, Greece.
[Agapitos, A.; Kesisoglou, S.; Panagiotou, A.; Saoulidou, N.; Tziaferi, E.; Sphicas, P.] Univ Athens, Athens, Greece.
[Evangelou, I.; Flouris, G.; Foudas, C.; Kokkas, P.; Loukas, N.; Manthos, N.; Papadopoulos, I.; Paradas, E.; Strologas, J.] Univ Ioannina, Ioannina, Greece.
[Bencze, G.; Hajdu, C.; Hazi, A.; Hidas, P.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.; Bartok, M.] Wigner Res Ctr Phys, Budapest, Hungary.
[Horvath, D.; Beni, N.; Czellar, S.; Karancsi, J.; Molnar, J.; Szillasi, Z.] Inst Nucl Res ATOMKI, Debrecen, Hungary.
[Karancsi, J.; Bartok, M.; Makovec, A.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.] Univ Debrecen, Debrecen, Hungary.
[Mal, P.; Mandal, K.; Sahoo, D. K.; Sahoo, N.; Swain, S. K.] Natl Inst Sci Educ & Res, Bhubaneswar, Orissa, India.
[Bansal, S.; Beri, S. B.; Bhatnagar, V.; Chawla, R.; Gupta, R.; Bhawandeep, U.; Kalsi, A. K.; Kaur, A.; Kaur, M.; Kumar, R.; Mehta, A.; Mittal, M.; Singh, J. B.; Walia, G.] Panjab Univ, Chandigarh, India.
[Kumar, Ashok; Bhardwaj, A.; Choudhary, B. C.; Garg, R. B.; Kumar, A.; Malhotra, S.; Naimuddin, M.; Nishu, N.; Ranjan, K.; Sharma, R.; Sharma, V.] Univ Delhi, Delhi, India.
[Bhattacharya, S.; Chatterjee, K.; Dey, S.; Dutta, S.; Jain, Sa.; Majumdar, N.; Modak, A.; Mondal, K.; Mukherjee, S.; Mukhopadhyay, S.; Roy, A.; Roy, D.; Chowdhury, S. Roy; Sarkar, S.; Sharan, M.] Saha Inst Nucl Phys, Kolkata, India.
[Abdulsalam, A.; Chudasama, R.; Dutta, D.; Jha, V.; Kumar, V.; Mohanty, A. K.; Pant, L. M.; Shukla, P.; Topkar, A.] Bhabha Atom Res Ctr, Bombay, Maharashtra, India.
[Aziz, T.; Banerjee, S.; Bhowmik, S.; Chatterjee, R. M.; Dewanjee, R. K.; Dugad, S.; Ganguly, S.; Ghosh, S.; Guchait, M.; Gurtu, A.; Kole, G.; Kumar, S.; Mahakud, B.; Maity, M.; Majumder, G.; Mazumdar, K.; Mitra, S.; Mohanty, G. B.; Parida, B.; Sarkar, T.; Sur, N.; Sutar, B.; Wickramage, N.] Tata Inst Fundamental Res, Bombay, Maharashtra, India.
[Chauhan, S.; Dube, S.; Kothekar, K.; Sharma, S.] Indian Inst Sci Educ & Res, Pune, Maharashtra, India.
[Bakhshiansohi, H.; Behnamian, H.; Etesami, S. M.; Fahim, A.; Goldouzian, R.; Khakzad, M.; Najafabadi, M. Mohammadi; Naseri, M.; Mehdiabadi, S. Paktinat; Hosseinabadi, F. Rezaei; Safarzadeh, B.; Zeinali, M.] Inst Res Fundamental Sci IPM, Tehran, Iran.
[Felcini, M.; Grunewald, M.] Univ Coll Dublin, Dublin, Ireland.
[Abbrescia, M.; Calabria, C.; Caputo, C.; Colaleo, A.; Creanza, D.; Cristella, L.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; Miniello, G.; My, S.; Nuzzo, S.; Pompili, A.; Pugliese, G.; Radogna, R.; Ranieri, A.; Selvaggi, G.; Silvestris, L.; Venditti, R.; Verwilligen, P.] Ist Nazl Fis Nucl, Sez Bari, Bari, Italy.
[Abbrescia, M.; Calabria, C.; Caputo, C.; Cristella, L.; De Palma, M.; Miniello, G.; Nuzzo, S.; Pompili, A.; Radogna, R.; Selvaggi, G.; Venditti, R.] Univ Bari, Bari, Italy.
[Creanza, D.; De Filippis, N.; Iaselli, G.; Maggi, G.; My, S.; Pugliese, G.] Politecn Bari, Bari, Italy.
[Abbiendi, G.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Chhibra, S. S.; Codispoti, G.; Cuffiani, M.; Dallavalle, G. M.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Montanari, A.; Navarria, F. L.; Perrotta, A.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.] Ist Nazl Fis Nucl, Sez Bologna, Bologna, Italy.
[Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Chhibra, S. S.; Codispoti, G.; Cuffiani, M.; Fanfani, A.; Fasanella, D.; Guiducci, L.; Navarria, F. L.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.] Univ Bologna, Bologna, Italy.
[Cappello, G.; Chiorboli, M.; Costa, S.; Di Mattia, A.; Giordano, F.; Potenza, R.; Tricomi, A.; Tuve, C.] Ist Nazl Fis Nucl, Sez Catania, Catania, Italy.
[Chiorboli, M.; Costa, S.; Giordano, F.; Potenza, R.; Tricomi, A.; Tuve, C.] Univ Catania, Catania, Italy.
[Barbagli, G.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Gonzi, S.; Gori, V.; Lenzi, P.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Tropiano, A.; Viliani, L.] Ist Nazl Fis Nucl, Sez Firenze, Florence, Italy.
[Ciulli, V.; D'Alessandro, R.; Focardi, E.; Gonzi, S.; Gori, V.; Lenzi, P.; Tropiano, A.; Viliani, L.] Univ Florence, Florence, Italy.
[Benussi, L.; Bianco, S.; Piccolo, D.; Primavera, F.] Ist Nazl Fis Nucl, Lab Nazl Frascati, Frascati, Italy.
[Calvelli, V.; Ferro, F.; Lo Vetere, M.; Monge, M. R.; Robutti, E.; Tosi, S.] Ist Nazl Fis Nucl, Sez Genova, Genoa, Italy.
[Calvelli, V.; Lo Vetere, M.; Monge, M. R.; Tosi, S.] Univ Genoa, Genoa, Italy.
[Brianza, L.; Dinardo, M. E.; Fiorendi, S.; Gennai, S.; Gerosa, R.; Ghezzi, A.; Govoni, P.; Malvezzi, S.; Manzoni, R. A.; Marzocchi, B.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; de Fatis, T. Tabarelli] Ist Nazl Fis Nucl, Sez Milano Bicocca, Milan, Italy.
[Brianza, L.; Dinardo, M. E.; Fiorendi, S.; Gerosa, R.; Ghezzi, A.; Govoni, P.; Manzoni, R. A.; Marzocchi, B.; Paganoni, M.; Ragazzi, S.; de Fatis, T. Tabarelli] Univ Milano Bicocca, Milan, Italy.
[Buontempo, S.; Cavallo, N.; Di Guida, S.; Esposito, M.; Fabozzi, F.; Iorio, A. O. M.; Lanza, G.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.; Sciacca, C.; Thyssen, F.] Ist Nazl Fis Nucl, Sez Napoli, Naples, Italy.
[Esposito, M.; Iorio, A. O. M.; Sciacca, C.; Thyssen, F.] Univ Napoli Federico II, Naples, Italy.
[Cavallo, N.; Fabozzi, F.; Thyssen, F.] Univ Basilicata, Potenza, Italy.
[Di Guida, S.; Meola, S.; Thyssen, F.] Univ G Marconi, Rome, Italy.
[Bacchetta, N.; Bellato, M.; Benato, L.; Bisello, D.; Boletti, A.; Carlin, R.; Checchia, P.; Dall'Osso, M.; Dosselli, U.; Gasparini, F.; Gasparini, U.; Gozzelino, A.; Lacaprara, S.; Margoni, M.; Meneguzzo, A. T.; Montecassiano, F.; Passaseo, M.; Pazzini, J.; Pegoraro, M.; Pozzobon, N.; Simonetto, F.; Torassa, E.; Tosi, M.; Vanini, S.; Ventura, S.; Zanetti, M.; Zotto, P.; Zucchetta, A.; Zumerle, G.; Kaminskiy, A.] Ist Nazl Fis Nucl, Sez Padova, Padua, Italy.
[Benato, L.; Bisello, D.; Boletti, A.; Carlin, R.; Dall'Osso, M.; Gasparini, F.; Gasparini, U.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Simonetto, F.; Tosi, M.; Vanini, S.; Zanetti, M.; Zotto, P.; Zucchetta, A.; Zumerle, G.; Kaminskiy, A.] Univ Padua, Padua, Italy.
[Zanetti, M.; Kaminskiy, A.] Univ Trento, Trento, Italy.
[Braghieri, A.; Magnani, A.; Montagna, P.; Ratti, S. P.; Re, V.; Riccardi, C.; Salvini, P.; Vai, I.; Vitulo, P.] Ist Nazl Fis Nucl, Sez Pavia, Pavia, Italy.
[Montagna, P.; Ratti, S. P.; Riccardi, C.; Vitulo, P.] Univ Pavia, Pavia, Italy.
[Solestizi, L. Alunni; Biasini, M.; Bilei, G. M.; Ciangottini, D.; Fano, L.; Lariccia, P.; Mantovani, G.; Menichelli, M.; Saha, A.; Santocchia, A.] Ist Nazl Fis Nucl, Sez Perugia, Perugia, Italy.
[Solestizi, L. Alunni; Biasini, M.; Ciangottini, D.; Fano, L.; Lariccia, P.; Mantovani, G.; Santocchia, A.] Univ Perugia, Perugia, Italy.
[Androsov, K.; Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Castaldi, R.; Ciocci, M. A.; Dell'Orso, R.; Donato, S.; Fedi, G.; Foa, L.; Giassi, A.; Grippo, M. T.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Palla, F.; Rizzi, A.; Savoy-Navarro, A.; Serban, A. T.; Spagnolo, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.] Ist Nazl Fis Nucl, Sez Pisa, Pisa, Italy.
[Fedi, G.; Martini, L.; Messineo, A.; Rizzi, A.; Tonelli, G.] Univ Pisa, Pisa, Italy.
[Donato, S.; Fedi, G.; Foa, L.; Ligabue, F.] Scuola Normale Super Pisa, Pisa, Italy.
[Barone, L.; Cavallari, F.; D'imperio, G.; Del Re, D.; Diemoz, M.; Gelli, S.; Jorda, C.; Longo, E.; Margaroli, F.; Meridiani, P.; Organtini, G.; Paramatti, R.; Preiato, F.; Rahatlou, S.; Rovelli, C.; Santanastasio, F.; Traczyk, P.] Ist Nazl Fis Nucl, Sez Roma, Rome, Italy.
[Barone, L.; D'imperio, G.; Del Re, D.; Gelli, S.; Longo, E.; Margaroli, F.; Organtini, G.; Preiato, F.; Rahatlou, S.; Santanastasio, F.; Traczyk, P.] Univ Rome, Rome, Italy.
[Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Bellan, R.; Biino, C.; Cartiglia, N.; Costa, M.; Covarelli, R.; Degano, A.; Demaria, N.; Finco, L.; Kiani, B.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Monteil, E.; Obertino, M. M.; Pacher, L.; Pastrone, N.; Pelliccioni, M.; Angioni, G. L. Pinna; Ravera, F.; Romero, A.; Ruspa, M.; Sacchi, R.; Solano, A.; Staiano, A.; Tamponi, U.] Ist Nazl Fis Nucl, Sez Torino, Turin, Italy.
[Amapane, N.; Argiro, S.; Bellan, R.; Costa, M.; Covarelli, R.; Degano, A.; Finco, L.; Kiani, B.; Migliore, E.; Monaco, V.; Monteil, E.; Obertino, M. M.; Pacher, L.; Angioni, G. L. Pinna; Ravera, F.; Romero, A.; Sacchi, R.; Solano, A.] Univ Turin, Turin, Italy.
[Arcidiacono, R.; Arneodo, M.; Ruspa, M.] Univ Piemonte Orientale, Novara, Italy.
[Belforte, S.; Candelise, V.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; Gobbo, B.; La Licata, C.; Marone, M.; Schizzi, A.; Zanetti, A.] Ist Nazl Fis Nucl, Sez Trieste, Trieste, Italy.
[Candelise, V.; Della Ricca, G.; La Licata, C.; Marone, M.; Schizzi, A.] Univ Trieste, Trieste, Italy.
[Kropivnitskaya, A.; Nam, S. K.] Kangwon Natl Univ, Chunchon, South Korea.
[Kim, D. H.; Kim, G. N.; Kim, M. S.; Kong, D. J.; Lee, S.; Oh, Y. D.; Sakharov, A.; Son, D. C.; Kamon, T.] Kyungpook Natl Univ, Daegu, South Korea.
[Cifuentes, J. A. Brochero; Kim, H.; Kim, T. J.] Chonbuk Natl Univ, Jeonju, South Korea.
[Song, S.] Chonnam Natl Univ, Inst Univ & Elementary Particles, Kwangju, South Korea.
[Lee, S.; Kim, H.; Choi, S.; Go, Y.; Gyun, D.; Hong, B.; Jo, M.; Kim, Y.; Lee, B.; Lee, K.; Lee, K. S.; Park, S. K.; Roh, Y.] Korea Univ, Seoul, South Korea.
[Yoo, H. D.] Seoul Natl Univ, Seoul, South Korea.
[Kim, H.; Choi, M.; Kim, J. H.; Lee, J. S. H.; Park, I. C.; Ryu, G.; Ryu, M. S.] Univ Seoul, Seoul, South Korea.
[Choi, Y.; Goh, J.; Kim, D.; Kwon, E.; Lee, J.; Yu, I.] Sungkyunkwan Univ, Suwon, South Korea.
[Dudenas, V.; Juodagalvis, A.; Vaitkus, J.] Vilnius State Univ, Vilnius, Lithuania.
[Ahmed, I.; Ibrahim, Z. A.; Komaragiri, J. R.; Ali, M. A. B. Md; Idris, F. Mohamad; Abdullah, W. A. T. Wan; Yusli, M. N.] Univ Malaya, Natl Ctr Particle Phys, Kuala Lumpur, Malaysia.
[Casimiro Linares, E.; Castilla-Valdez, H.; De la Cruz-Burelo, E.; Heredia-De la Cruz, I.; Hernandez-Almada, A.; Lopez-Fernandez, R.; Sanchez-Hernandez, A.] IPN, Ctr Invest & Estudios Avanzados, Mexico City, DF, Mexico.
[Carrillo Moreno, S.; Vazquez Valencia, F.] Univ Iberoamer, Mexico City, DF, Mexico.
[Pedraza, I.; Salazar Ibarguen, H. A.] Benemerita Univ Autonoma Puebla, Puebla, Mexico.
[Morelos Pineda, A.] Univ Autonoma San Luis Potosi, San Luis Potosi, Mexico.
[Krofcheck, D.] Univ Auckland, Auckland, New Zealand.
[Butler, P. H.] Univ Canterbury, Christchurch, New Zealand.
[Ahmad, M.; Ahmad, A.; Hassan, Q.; Hoorani, H. R.; Khan, W. A.; Khurshid, T.; Shoaib, M.] Quaid I Azam Univ, Natl Ctr Phys, Islamabad, Pakistan.
[Bialkowska, H.; Bluj, M.; Boimska, B.; Frueboes, T.; Gorski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Zalewski, P.] Natl Ctr Nucl Res, Otwock, Poland.
[Brona, G.; Bunkowski, K.; Byszuk, A.; Doroba, K.; Kalinowski, A.; Kierzkowski, K.; Konecki, M.; Krolikowski, J.; Misiura, M.; Oklinski, W.; Olszewski, M.; Pozniak, K.; Walczak, M.; Zabolotny, W.] Univ Warsaw, Fac Phys, Inst Expt Phys, Warsaw, Poland.
[Bargassa, P.; Beirao Da Cruz E Silva, C.; Di Francesco, A.; Faccioli, P.; Ferreira Parracho, P. G.; Gallinaro, M.; Leonardo, N.; Lloret Iglesias, L.; Nguyen, F.; Rodrigues Antunes, J.; Seixas, J.; Toldaiev, O.; Vadruccio, D.; Varela, J.; Vischia, P.] Lab Instrumentacao & Fis Expt Particulas, Lisbon, Portugal.
[Tsamalaidze, Z.; Afanasiev, S.; Bunin, P.; Gavrilenko, M.; Golutvin, I.; Gorbunov, I.; Kamenev, A.; Karjavin, V.; Konoplyanikov, V.; Lanev, A.; Malakhov, A.; Matveev, V.; Moisenz, P.; Palichik, V.; Perelygin, V.; Shmatov, S.; Shulha, S.; Skatchkov, N.; Smirnov, V.; Zarubin, A.] Joint Inst Nucl Res, Dubna, Russia.
[Golovtsov, V.; Ivanov, Y.; Kim, V.; Kuznetsova, E.; Levchenko, P.; Murzin, V.; Oreshkin, V.; Smirnov, I.; Sulimov, V.; Uvarov, L.; Vavilov, S.; Vorobyev, A.] Petersburg Nucl Phys Inst, Gatchina, Russia.
[Matveev, V.; Andreev, Yu.; Dermenev, A.; Gninenko, S.; Golubev, N.; Karneyeu, A.; Kirsanov, M.; Krasnikov, N.; Pashenkov, A.; Tlisov, D.; Toropin, A.; Musienko, Y.] Inst Nucl Res, Moscow, Russia.
[Epshteyn, V.; Gavrilov, V.; Lychkovskaya, N.; Popov, V.; Pozdnyakov, I.; Safronov, G.; Spiridonov, A.; Vlasov, E.; Zhokin, A.; Starodumov, A.; Nikitenko, A.] Inst Theoret & Expt Phys, Moscow, Russia.
[Bylinkin, A.; Azarkin, M.; Dremin, I.; Leonidov, A.] Natl Res Nucl Univ, Moscow Engn Phys Inst MEPhI, Moscow, Russia.
[Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Mesyats, G.; Rusakov, S. V.] PN Lebedev Phys Inst, Moscow, Russia.
[Zhukov, V.; Katkov, I.; Baskakov, A.; Belyaev, A.; Boos, E.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Kaminskiy, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Myagkov, I.; Obraztsov, S.; Petrushanko, S.; Savrin, V.] Moscow MV Lomonosov State Univ, Skobeltsyn Inst Nucl Phys, Moscow, Russia.
[Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Kachanov, V.; Kalinin, A.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.] State Res Ctr Russian Federat, Inst High Energy Phys, Protvino, Russia.
[Adzic, P.; Milosevic, J.; Rekovic, V.; Milenovic, P.] Univ Belgrade, Fac Phys, Belgrade, Serbia.
[Adzic, P.; Milosevic, J.; Rekovic, V.; Milenovic, P.] Univ Belgrade, Vinca Inst Nucl Sci, Belgrade, Serbia.
[Alcaraz Maestre, J.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De la Cruz, B.; Delgado Peris, A.; Dominguez Vazquez, D.; Escalante Del Valle, A.; Fernandez Bedoya, C.; Fernandez Ramos, J. P.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Navarro De Martino, E.; Perez-Calero Yzquierdo, A.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Santaolalla, J.; Soares, M. S.] CIEMAT, Madrid, Spain.
[Albajar, C.; de Troconiz, J. F.; Missiroli, M.; Moran, D.] Univ Autonoma Madrid, Madrid, Spain.
[Cuevas, J.; Fernandez Menendez, J.; Folgueras, S.; Gonzalez Caballero, I.; Palencia Cortezon, E.; Vizan Garcia, J. M.] Univ Oviedo, Oviedo, Spain.
[Cabrillo, I. J.; Calderon, A.; Castineiras De Saa, J. R.; De Castro Manzano, P.; Duarte Campderros, J.; Fernandez, M.; Garcia-Ferrero, J.; Gomez, G.; Lopez Virto, A.; Marco, J.; Marco, R.; Martinez Rivero, C.; Matorras, F.; Munoz Sanchez, F. J.; Piedra Gomez, J.; Rodrigo, T.; Rodriguez-Marrero, A. Y.; Ruiz-Jimeno, A.; Scodellaro, L.; Trevisani, N.; Vila, I.; Vilar Cortabitarte, R.] Univ Cantabria, CSIC, Inst Fis Cantabria IFCA, Santander, Spain.
[Rabady, D.; El Sawy, M.; Merlin, J. A.; Lingemann, J.; Pantaleo, F.; Hartmann, F.; Kornmayer, A.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Benaglia, A.; Bendavid, J.; Benhabib, L.; Benitez, J. F.; Berruti, G. M.; Bloch, P.; Bocci, A.; Bonato, A.; Botta, C.; Breuker, H.; Camporesi, T.; Castello, R.; Cerminara, G.; D'Alfonso, M.; d'Enterria, D.; Dabrowski, A.; Daponte, V.; David, A.; De Gruttola, M.; De Guio, F.; De Roeck, A.; De Visscher, S.; Di Marco, E.; Dobson, M.; Dordevic, M.; Dorney, B.; du Pree, T.; Dunser, M.; Dupont, N.; Elliott-Peisert, A.; Franzoni, G.; Funk, W.; Gigi, D.; Gill, K.; Giordano, D.; Girone, M.; Glege, F.; Guida, R.; Gundacker, S.; Guthoff, M.; Hammer, J.; Harris, P.; Hegeman, J.; Innocente, V.; Janot, P.; Kirschenmann, H.; Kortelainen, M. J.; Kousouris, K.; Krajczar, K.; Lecoq, P.; Lourenco, C.; Lucchini, M. T.; Magini, N.; Malgeri, L.; Mannelli, M.; Martelli, A.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moortgat, F.; Morovic, S.; Mulders, M.; Nemallapudi, M. V.; Neugebauer, H.; Orfanelli, S.; Orsini, L.; Pape, L.; Perez, E.; Peruzzi, M.; Petrilli, A.; Petrucciani, G.; Pfeiffer, A.; Piparo, D.; Racz, A.; Rolandi, G.; Rovere, M.; Ruan, M.; Sakulin, H.; Schafer, C.; Schwick, C.; Seidel, M.; Sharma, A.; Silva, P.; Simon, M.; Sphicas, P.; Steggemann, J.; Stieger, B.; Stoye, M.; Takahashi, Y.; Treille, D.; Triossi, A.; Tsirou, A.; Veres, G. I.; Wardle, N.; Wohri, H. K.; Zagozdzinska, A.; Zeuner, W. D.] CERN, European Org Nucl Res, Geneva, Switzerland.
[Bertl, W.; Deiters, K.; Erdmann, W.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Kotlinski, D.; Langenegger, U.; Renker, D.; Rohe, T.] Paul Scherrer Inst, Villigen, Switzerland.
[Bachmair, F.; Bani, L.; Bianchini, L.; Casal, B.; Dissertori, G.; Dittmar, M.; Donega, M.; Eller, P.; Grab, C.; Heidegger, C.; Hits, D.; Hoss, J.; Kasieczka, G.; Lustermann, W.; Mangano, B.; Marionneau, M.; del Arbol, P. Martinez Ruiz; Masciovecchio, M.; Meister, D.; Micheli, F.; Musella, P.; Nessi-Tedaldi, F.; Pandolfi, F.; Pata, J.; Pauss, F.; Perrozzi, L.; Quittnat, M.; Rossini, M.; Starodumov, A.; Takahashi, M.; Tavolaro, V. R.; Theofilatos, K.; Wallny, R.] Swiss Fed Inst Technol, Inst Particle Phys, Zurich, Switzerland.
[Aarrestad, T. K.; Amsler, C.; Caminada, L.; Canelli, M. F.; Chiochia, V.; De Cosa, A.; Galloni, C.; Hinzmann, A.; Hreus, T.; Kilminster, B.; Lange, C.; Ngadiuba, J.; Pinna, D.; Robmann, P.; Ronga, F. J.; Salerno, D.; Yang, Y.] Univ Zurich, Zurich, Switzerland.
[Cardaci, M.; Chen, K. H.; Doan, T. H.; Jain, Sh.; Khurana, R.; Konyushikhin, M.; Kuo, C. M.; Lin, W.; Lu, Y. J.; Yu, S. S.] Natl Cent Univ, Chungli, Taiwan.
[Kumar, Arun; Bartek, R.; Chang, P.; Chang, Y. H.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Chen, P. H.; Dietz, C.; Fiori, F.; Grundler, U.; Hou, W. -S.; Hsiung, Y.; Liu, Y. F.; Lu, R. -S.; Moya, M. Minano; Petrakou, E.; Tsai, J. F.; Tzeng, Y. M.] Natl Taiwan Univ, Taipei, Taiwan.
[Asavapibhop, B.; Kovitanggoon, K.; Singh, G.; Srimanobhas, N.; Suwonjandee, N.] Chulalongkorn Univ, Fac Sci, Dept Phys, Bangkok, Thailand.
[Adiguzel, A.; Bakirci, M. N.; Demiroglu, Z. S.; Dozen, C.; Eskut, E.; Girgis, S.; Gokbulut, G.; Guler, Y.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Onengut, G.; Ozdemir, K.; Polatoz, A.; Cerci, D. Sunar; Tali, B.; Topakli, H.; Vergili, M.; Zorbilmez, C.] Cukurova Univ, Adana, Turkey.
[Akin, I. V.; Bilin, B.; Bilmis, S.; Isildak, B.; Karapinar, G.; Yalvac, M.; Zeyrek, M.] Middle E Tech Univ, Dept Phys, Ankara, Turkey.
[Gulmez, E.; Kaya, M.; Kaya, O.; Yetkin, E. A.; Yetkin, T.] Bogazici Univ, Istanbul, Turkey.
[Cakir, A.; Cankocak, K.; Sen, S.; Vardarli, F. I.] Istanbul Tech Univ, Istanbul, Turkey.
[Grynyov, B.] Natl Acad Sci Ukraine, Inst Scintillat Mat, Kharkov, Ukraine.
[Levchuk, L.; Sorokin, P.] Kharkov Inst Phys & Technol, Natl Sci Ctr, Kharkov, Ukraine.
[Aggleton, R.; Ball, F.; Beck, L.; Brooke, J. J.; Clement, E.; Cussans, D.; Flacher, H.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Jacob, J.; Kreczko, L.; Lucas, C.; Meng, Z.; Newbold, D. M.; Paramesvaran, S.; Poll, A.; Sakuma, T.; El Nasr-Storey, S. Seif; Senkin, S.; Smith, D.; Smith, V. J.] Univ Bristol, Bristol, Avon, England.
[Belyaev, A.; Newbold, D. M.; Bell, K. W.; Brew, C.; Brown, R. M.; Calligaris, L.; Cieri, D.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Olaiya, E.; Petyt, D.; Shepherd-Themistocleous, C. H.; Thea, A.; Tomalin, I. R.; Williams, T.; Womersley, W. J.; Worm, S. D.] Rutherford Appleton Lab, Didcot, Oxon, England.
[Baber, M.; Bainbridge, R.; Buchmuller, O.; Bundock, A.; Burton, D.; Casasso, S.; Citron, M.; Colling, D.; Corpe, L.; Cripps, N.; Dauncey, P.; Davies, G.; De Wit, A.; Della Negra, M.; Dunne, P.; Elwood, A.; Ferguson, W.; Fulcher, J.; Futyan, D.; Hall, G.; Iles, G.; Kenzie, M.; Lane, R.; Lucas, R.; Lyons, L.; Magnan, A. -M.; Malik, S.; Nash, J.; Nikitenko, A.; Pela, J.; Pesaresi, M.; Petridis, K.; Raymond, D. M.; Richards, A.; Rose, A.; Seez, C.; Tapper, A.; Uchida, K.; Acosta, M. Vazquez; Virdee, T.; Zenz, S. C.] Univ London Imperial Coll Sci Technol & Med, London, England.
[Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leggat, D.; Leslie, D.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.] Brunel Univ, Uxbridge, Middx, England.
[Borzou, A.; Call, K.; Dittmann, J.; Hatakeyama, K.; Liu, H.; Pastika, N.] Baylor Univ, Waco, TX 76798 USA.
[Charaf, O.; Cooper, S. I.; Henderson, C.; Rumerio, P.] Univ Alabama, Tuscaloosa, AL 35487 USA.
[Arcaro, D.; Avetisyan, A.; Bose, T.; Fantasia, C.; Gastler, D.; Lawson, P.; Rankin, D.; Richardson, C.; Rohlf, J.; St John, J.; Sulak, L.; Zou, D.] Boston Univ, Boston, MA 02215 USA.
[Bhattacharya, S.; Alimena, J.; Berry, E.; Cutts, D.; Dhingra, N.; Ferapontov, A.; Garabedian, A.; Hakala, J.; Heintz, U.; Laird, E.; Landsberg, G.; Mao, Z.; Narain, M.; Piperov, S.; Sagir, S.; Syarif, R.] Brown Univ, Providence, RI 02912 USA.
[Chauhan, S.; Breedon, R.; Breto, G.; Sanchez, M. Calderon De la Barca; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Gardner, M.; Ko, W.; Lander, R.; Mulhearn, M.; Pellett, D.; Pilot, J.; Ricci-Tam, F.; Shalhout, S.; Smith, J.; Squires, M.; Stolp, D.; Tripathi, M.; Wilbur, S.; Yohay, R.] Univ Calif Davis, Davis, CA 95616 USA.
[Weber, M.; Cousins, R.; Everaerts, P.; Farrell, C.; Hauser, J.; Ignatenko, M.; Saltzberg, D.; Takasugi, E.; Valuev, V.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA.
[Burt, K.; Clare, R.; Ellison, J.; Gary, J. W.; Hanson, G.; Heilman, J.; Paneva, M. Ivova; Jandir, P.; Kennedy, E.; Lacroix, F.; Long, O. R.; Luthra, A.; Malberti, M.; Negrete, M. Olmedo; Shrinivas, A.; Wei, H.; Wimpenny, S.; Yates, B. R.] Univ Calif Riverside, Riverside, CA 92521 USA.
[Sharma, V.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; D'Agnolo, R. T.; Derdzinski, M.; Holzner, A.; Kelley, R.; Klein, D.; Letts, J.; Macneill, I.; Olivito, D.; Padhi, S.; Pieri, M.; Sani, M.; Simon, S.; Tadel, M.; Vartak, A.; Wasserbaech, S.; Welke, C.; Wurthwein, F.; Yagil, A.; Della Porta, G. Zevi] Univ Calif San Diego, La Jolla, CA 92093 USA.
[Bradmiller-Feld, J.; Campagnari, C.; Dishaw, A.; Dutta, V.; Flowers, K.; Sevilla, M. Franco; Geffert, P.; George, C.; Golf, F.; Gouskos, L.; Gran, J.; Incandela, J.; Mccoll, N.; Mullin, S. D.; Richman, J.; Stuart, D.; Suarez, I.; West, C.; Yoo, J.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA.
[Dubinin, M.; Anderson, D.; Apresyan, A.; Bornheim, A.; Bunn, J.; Chen, Y.; Duarte, J.; Mott, A.; Newman, H. B.; Pena, C.; Pierini, M.; Spiropulu, M.; Vlimant, J. R.; Xie, S.; Zhu, R. Y.] CALTECH, Pasadena, CA USA.
[Andrews, M. B.; Azzolini, V.; Calamba, A.; Carlson, B.; Ferguson, T.; Paulini, M.; Russ, J.; Sun, M.; Vogel, H.; Vorobiev, I.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA.
[Cumalat, J. P.; Ford, W. T.; Gaz, A.; Jensen, F.; Johnson, A.; Krohn, M.; Mulholland, T.; Nauenberg, U.; Stenson, K.; Wagner, S. R.] Univ Colorado, Boulder, CO 80309 USA.
[Alexander, J.; Chatterjee, A.; Chaves, J.; Chu, J.; Dittmer, S.; Eggert, N.; Mirman, N.; Kaufman, G. Nicolas; Patterson, J. R.; Rinkevicius, A.; Ryd, A.; Skinnari, L.; Soffi, L.; Sun, W.; Tan, S. M.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Weng, Y.; Wittich, P.] Cornell Univ, Ithaca, NY 14850 USA.
[Banerjee, S.; Abdullin, S.; Albrow, M.; Anderson, J.; Apollinari, G.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bolla, G.; Burkett, K.; Butler, J. N.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gottschalk, E.; Gray, L.; Green, D.; Grunendahl, S.; Gutsche, O.; Hanlon, J.; Hare, D.; Harris, R. M.; Hasegawa, S.; Hirschauer, J.; Hu, Z.; Jayatilaka, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Jung, A. W.; Klima, B.; Kreis, B.; Kwan, S.; Lammel, S.; Linacre, J.; Lincoln, D.; Lipton, R.; Liu, T.; De Sa, R. Lopes; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Outschoorn, V. I. Martinez; Maruyama, S.; Mason, D.; McBride, P.; Merkel, P.; Mishra, K.; Mrenna, S.; Nahn, S.; Newman-Holmes, C.; O'Dell, V.; Pedro, K.; Prokofyev, O.; Rakness, G.; Sexton-Kennedy, E.; Soha, A.; Spalding, W. J.; Spiegel, L.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vernieri, C.; Verzocchi, M.; Vidal, R.; Weber, H. A.; Whitbeck, A.; Yang, F.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
[Acosta, D.; Avery, P.; Bortignon, P.; Bourilkov, D.; Carnes, A.; Carver, M.; Curry, D.; Das, S.; Di Giovanni, G. P.; Field, R. D.; Furic, I. K.; Gleyzer, S. V.; Hugon, J.; Konigsberg, J.; Korytov, A.; Low, J. F.; Ma, P.; Matchev, K.; Mei, H.; Milenovic, P.; Mitselmakher, G.; Rank, D.; Rossin, R.; Shchutska, L.; Snowball, M.; Sperka, D.; Terentyev, N.; Thomas, L.; Wang, J.; Wang, S.; Yelton, J.] Univ Florida, Gainesville, FL 32611 USA.
[Hewamanage, S.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.] Florida Int Univ, Miami, FL 33199 USA.
[Ackert, A.; Adams, J. R.; Adams, T.; Askew, A.; Bochenek, J.; Diamond, B.; Haas, J.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Khatiwada, A.; Prosper, H.; Weinberg, M.] Florida State Univ, Tallahassee, FL 32306 USA.
[Baarmand, M. M.; Bhopatkar, V.; Colafranceschi, S.; Hohlmann, M.; Kalakhety, H.; Noonan, D.; Roy, T.; Yumiceva, F.] Florida Inst Technol, Melbourne, FL 32901 USA.
[Adams, M. R.; Apanasevich, L.; Berry, D.; Betts, R. R.; Bucinskaite, I.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Kurt, P.; O'Brien, C.; Gonzalez, I. D. Sandoval; Silkworth, C.; Turner, P.; Varelas, N.; Wu, Z.; Zakaria, M.] Univ Illinois, Chicago, IL 60607 USA.
[Bilki, B.; Clarida, W.; Dilsiz, K.; Durgut, S.; Gandrajula, R. P.; Haytmyradov, M.; Khristenko, V.; Merlo, J. -P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Penzo, A.; Snyder, C.; Tiras, E.; Wetzel, J.; Yi, K.] Univ Iowa, Iowa City, IA USA.
[Anderson, I.; Barnett, B. A.; Blumenfeld, B.; Eminizer, N.; Fehling, D.; Feng, L.; Gritsan, A. V.; Maksimovic, P.; Martin, C.; Osherson, M.; Roskes, J.; Sady, A.; Sarica, U.; Swartz, M.; Xiao, M.; Xin, Y.; You, C.] Johns Hopkins Univ, Baltimore, MD 21218 USA.
[Baringer, P.; Bean, A.; Benelli, G.; Bruner, C.; Kenny, R. P., III; Majumder, D.; Malek, M.; Murray, M.; Sanders, S.; Stringer, R.; Wang, Q.] Univ Kansas, Lawrence, KS 66045 USA.
[Ivanov, A.; Kaadze, K.; Khalil, S.; Makouski, M.; Maravin, Y.; Mohammadi, A.; Saini, L. K.; Skhirtladze, N.; Toda, S.] Kansas State Univ, Manhattan, KS 66506 USA.
[Lange, D.; Rebassoo, F.; Wright, D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Anelli, C.; Baden, A.; Baron, O.; Belloni, A.; Calvert, B.; Eno, S. C.; Ferraioli, C.; Gomez, J. A.; Hadley, N. J.; Jabeen, S.; Kellogg, R. G.; Kolberg, T.; Kunkle, J.; Lu, Y.; Mignerey, A. C.; Shin, Y. H.; Skuja, A.; Tonjes, M. B.; Tonwar, S. C.] Univ Maryland, College Pk, MD 20742 USA.
[Wang, J.; Apyan, A.; Barbieri, R.; Baty, A.; Bierwagen, K.; Brandt, S.; Busza, W.; Cali, I. A.; Demiragli, Z.; Di Matteo, L.; Ceballos, G. Gomez; Goncharov, M.; Gulhan, D.; Iiyama, Y.; Innocenti, G. M.; Klute, M.; Kovalskyi, D.; Lai, Y. S.; Lee, Y. -J.; Levin, A.; Luckey, P. D.; Marini, A. C.; Mcginn, C.; Mironov, C.; Narayanan, S.; Niu, X.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Salfeld-Nebgen, J.; Stephans, G. S. F.; Sumorok, K.; Varma, M.; Velicanu, D.; Veverka, J.; Wang, T. W.; Wyslouch, B.; Yang, M.; Zhukova, V.] MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
[Dahmes, B.; Evans, A.; Finkel, A.; Gude, A.; Hansen, P.; Kalafut, S.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Lesko, Z.; Mans, J.; Nourbakhsh, S.; Ruckstuhl, N.; Rusack, R.; Tambe, N.; Turkewitz, J.] Univ Minnesota, Minneapolis, MN 55455 USA.
[Acosta, J. G.; Oliveros, S.] Univ Mississippi, Oxford, MS 38677 USA.
[Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Fangmeier, C.; Suarez, R. Gonzalez; Kamalieddin, R.; Keller, J.; Knowlton, D.; Kravchenko, I.; Meier, F.; Monroy, J.; Ratnikov, F.; Siado, J. E.; Snow, G. R.] Univ Nebraska, Lincoln, NE 68588 USA.
[Kumar, A.; Alyari, M.; Dolen, J.; George, J.; Godshalk, A.; Harrington, C.; Iashvili, I.; Kaisen, J.; Kharchilava, A.; Rappoccio, S.; Roozbahani, B.] SUNY Buffalo, Buffalo, NY 14260 USA.
[Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Hortiangtham, A.; Massironi, A.; Morse, D. M.; Nash, D.; Orimoto, T.; De Lima, R. Teixeira; Trocino, D.; Wang, R. -J.; Wood, D.; Zhang, J.] Northeastern Univ, Boston, MA 02115 USA.
[Hahn, K. A.; Kubik, A.; Mucia, N.; Odell, N.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Sung, K.; Trovato, M.; Velasco, M.] Northwestern Univ, Evanston, IL 60208 USA.
[Brinkerhoff, A.; Dev, N.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kellams, N.; Lannon, K.; Lynch, S.; Marinelli, N.; Meng, F.; Mueller, C.; Musienko, Y.; Pearson, T.; Planer, M.; Reinsvold, A.; Ruchti, R.; Smith, G.; Taroni, S.; Valls, N.; Wayne, M.; Wolf, M.; Woodard, A.] Univ Notre Dame, Notre Dame, IN 46556 USA.
[Antonelli, L.; Brinson, J.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Hart, A.; Hill, C.; Hughes, R.; Ji, W.; Kotov, K.; Ling, T. Y.; Liu, B.; Luo, W.; Puigh, D.; Rodenburg, M.; Winer, B. L.; Wulsin, H. W.] Ohio State Univ, Columbus, OH 43210 USA.
[Driga, O.; Elmer, P.; Hardenbrook, J.; Hebda, P.; Koay, S. A.; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Palmer, C.; Piroue, P.; Saka, H.; Stickland, D.; Tully, C.; Zuranski, A.] Princeton Univ, Princeton, NJ 08544 USA.
[Malik, S.] Univ Puerto Rico, Mayaguez, PR 00682 USA.
[Savoy-Navarro, A.; Barnes, V. E.; Benedetti, D.; Bortoletto, D.; Gutay, L.; Jha, M. K.; Jones, M.; Jung, K.; Miller, D. H.; Neumeister, N.; Radburn-Smith, B. C.; Shi, X.; Shipsey, I.; Silvers, D.; Sun, J.; Svyatkovskiy, A.; Wang, F.; Xie, W.; Xu, L.] Purdue Univ, W Lafayette, IN 47907 USA.
[Parashar, N.; Stupak, J.] Purdue Univ Calumet, Hammond, LA USA.
[Adair, A.; Akgun, B.; Chen, Z.; Ecklund, K. M.; Geurts, F. J. M.; Guilbaud, M.; Li, W.; Michlin, B.; Northup, M.; Padley, B. P.; Redjimi, R.; Roberts, J.; Rorie, J.; Tu, Z.; Zabel, J.] Rice Univ, Houston, TX 77005 USA.
[Betchart, B.; Bodek, A.; de Barbaro, P.; Demina, R.; Eshaq, Y.; Ferbel, T.; Galanti, M.; Garcia-Bellido, A.; Han, J.; Harel, A.; Hindrichs, O.; Khukhunaishvili, A.; Petrillo, G.; Tan, P.; Verzetti, M.] Univ Rochester, Rochester, NY 14611 USA.
[Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Hughes, E.; Kaplan, S.; Elayavalli, R. Kun-Nawalkam; Lath, A.; Nash, K.; Panwalkar, S.; Park, M.; Salur, S.; Schnetzer, S.; Sheffield, D.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.] Rutgers State Univ, Piscataway, NJ USA.
[Foerster, M.; Riley, G.; Rose, K.; Spanier, S.; York, A.] Univ Tennessee, Knoxville, TN 37996 USA.
[Rose, A.; Bouhali, O.; Hernandez, A. Castaneda; Dalchenko, M.; De Mattia, M.; Delgado, A.; Dildick, S.; Eusebi, R.; Gilmore, J.; Kamon, T.; Krutelyov, V.; Mueller, R.; Osipenkov, I.; Pakhotin, Y.; Patel, R.; Perloff, A.; Safonov, A.; Tatarinov, A.; Ulmer, K. A.] Texas A&M Univ, College Stn, TX 77843 USA.
[Akchurin, N.; Cowden, C.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Faulkner, J.; Kunori, S.; Lamichhane, K.; Lee, S. W.; Libeiro, T.; Undleeb, S.; Volobouev, I.] Texas Tech Univ, Lubbock, TX 79409 USA.
[Mao, Y.; Appelt, E.; Delannoy, A. G.; Greene, S.; Gurrola, A.; Janjam, R.; Johns, W.; Maguire, C.; Melo, A.; Ni, H.; Sheldon, P.; Snook, B.; Tuo, S.; Velkovska, J.; Xu, Q.] Vanderbilt Univ, 221 Kirkland Hall, Nashville, TN 37235 USA.
[Arenton, M. W.; Cox, B.; Francis, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Li, H.; Lin, C.; Neu, C.; Sinthuprasith, T.; Sun, X.; Wang, Y.; Wolfe, E.; Wood, J.; Xia, F.] Univ Virginia, Charlottesville, VA 22903 USA.
[Clarke, C.; Harr, R.; Karchin, P. E.; Don, C. Kottachchi Kankanamge; Lamichhane, P.; Sturdy, J.] Wayne State Univ, Detroit, MI 48202 USA.
[Sharma, A.; Belknap, D. A.; Carlsmith, D.; Cepeda, M.; Dasu, S.; Dodd, L.; Duric, S.; Gomber, B.; Grothe, M.; Hall-Wilton, R.; Herndon, M.; Herve, A.; Klabbers, P.; Lanaro, A.; Levine, A.; Long, K.; Loveless, R.; Mohapatra, A.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ruggles, T.; Sarangi, T.; Savin, A.; Smith, N.; Smith, W. H.; Taylor, D.; Woods, N.] Univ Wisconsin, Madison, WI 53706 USA.
[Fruehwirth, R.; Jeitler, M.; Krammer, M.; Schieck, J.; Wulz, C. -E.] Vienna Univ Technol, Vienna, Austria.
[Giammanco, A.] NICPB, Tallinn, Estonia.
[Chinellato, J.; Tonelli Manganote, E. J.] Univ Estadual Campinas, Campinas, Brazil.
[Moon, C. S.] CNRS, IN2P3, Paris, France.
[Assran, Y.] Suez Univ, Suez, Egypt.
[El Sawy, M.] Beni Suef Univ, Bani Sweif, Egypt.
[El Sawy, M.; Elgammal, S.] British Univ Egypt, Cairo, Egypt.
[Kamel, A. Ellithi] Cairo Univ, Cairo, Egypt.
[Mahmoud, M. A.] Fayoum Univ, Al Fayyum, Egypt.
[Agram, J. -L.; Conte, E.; Fontaine, J. -C.] Univ Haute Alsace, Mulhouse, France.
[Choudhury, S.] Indian Inst Sci Educ & Res, Bhopal, India.
[Hempel, M.; Karacheban, O.; Lohmann, W.; Marfin, I.] Brandenburg Tech Univ Cottbus, Cottbus, Germany.
[Bhowmik, S.; Maity, M.; Sarkar, T.] Visva Bharati Univ, Santini Ketan, W Bengal, India.
[Gurtu, A.] King Abdulaziz Univ, Jeddah, Saudi Arabia.
[Wickramage, N.] Univ Ruhuna, Matara, Sri Lanka.
[Etesami, S. M.] Isfahan Univ Technol, Esfahan, Iran.
[Fahim, A.] Univ Tehran, Dept Engn Sci, Tehran, Iran.
[Safarzadeh, B.] Islam Azad Univ, Plasma Phys Res Ctr, Sci & Res Branch, Tehran, Iran.
[Androsov, K.; Ciocci, M. A.; Grippo, M. T.] Univ Siena, Siena, Italy.
[Kim, T. J.] Hanyang Univ, Seoul, South Korea.
[Ali, M. A. B. Md] Int Islamic Univ Malaysia, Kuala Lumpur, Malaysia.
[Idris, F. Mohamad] Agensi Nuklear Malaysia, MOSTI, Kajang, Malaysia.
[Heredia-De la Cruz, I.] Consejo Nacl Ciencia & Technol, Mexico City, DF, Mexico.
[Byszuk, A.; Pozniak, K.; Zagozdzinska, A.] Warsaw Univ Technol, Inst Elect Syst, Warsaw, Poland.
[Kim, V.] St Petersburg State Polytech Univ, St Petersburg, Russia.
[Orfanelli, S.] Natl Tech Univ Athens, Athens, Greece.
[Rolandi, G.] Scuola Normale, Pisa, Italy.
[Rolandi, G.] Sezione Ist Nazl Fis Nucl, Pisa, Italy.
[Amsler, C.] Albert Einstein Ctr Fundamental Phys, Bern, Switzerland.
[Bakirci, M. N.; Topakli, H.] Gaziosmanpasa Univ, Tokat, Turkey.
[Kangal, E. E.] Mersin Univ, Mersin, Turkey.
[Onengut, G.] Cag Univ, Mersin, Turkey.
[Ozdemir, K.] Piri Reis Univ, Istanbul, Turkey.
[Cerci, D. Sunar; Tali, B.] Adiyaman Univ, Adiyaman, Turkey.
[Isildak, B.] Ozyegin Univ, Istanbul, Turkey.
[Karapinar, G.] Izmir Inst Technol, Izmir, Turkey.
[Kaya, M.] Marmara Univ, Istanbul, Turkey.
[Kaya, O.] Kafkas Univ, Kars, Turkey.
[Yetkin, E. A.] Istanbul Bilgi Univ, Istanbul, Turkey.
[Yetkin, T.] Yildiz Tech Univ, Istanbul, Turkey.
[Sen, S.] Hacettepe Univ, Ankara, Turkey.
[Belyaev, A.] Univ Southampton, Sch Phys & Astron, Southampton, Hants, England.
[Acosta, M. Vazquez] Inst Astrofis Canarias, San Cristobal la Laguna, Spain.
[Wasserbaech, S.] Utah Valley Univ, Orem, UT 84058 USA.
[Colafranceschi, S.] Univ Rome, Fac Ingn, Rome, Italy.
[Bilki, B.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Mermerkaya, H.] Erzincan Univ, Erzincan, Turkey.
[Ozok, F.] Mimar Sinan Univ, Istanbul, Turkey.
[Bouhali, O.; Hernandez, A. Castaneda] Texas A&M Univ Qatar, Doha, Qatar.
RP Khachatryan, V (reprint author), Yerevan Phys Inst, Yerevan, Armenia.
RI Della Ricca, Giuseppe/B-6826-2013; Lokhtin, Igor/D-7004-2012;
OI Della Ricca, Giuseppe/0000-0003-2831-6982; Reis,
Thomas/0000-0003-3703-6624; Geisler-Knunz, Valentin/0000-0002-7235-4786;
Jacob, Jeson/0000-0001-6895-5493
FU Austrian Federal Ministry of Science, Research and Economy; Austrian
Science Fund; Belgian Fonds de la Recherche Scientifique; Fonds voor
Wetenschappelijk Onderzoek; CNPq; CAPES; FAPERJ; FAPESP; Bulgarian
Ministry of Education and Science; CERN; Chinese Academy of Sciences;
Ministry of Science and Technology; National Natural Science Foundation
of China; Colombian Funding Agency (COLCIENCIAS); Croatian Ministry of
Science, Education and Sport; Croatian Science Foundation; Research
Promotion Foundation, Cyprus; Secretariat for Higher Education, Science,
Technology and Innovation, Ecuador; Ministry of Education and Research,
Estonian Research Council [IUT23-4, IUT23-6]; European Regional
Development Fund, Estonia; Academy of Finland; Helsinki Institute of
Physics; Institut National de Physique Nucleaire et de Physique des
Particules / CNRS, France; Commissariat a l'Energie Atomique et aux
Energies Alternatives / CEA, France; Bundesministerium fur Bildung und
Forschung, Germany; Deutsche Forschungsgemeinschaft, Germany;
Helmholtz-Gemeinschaft Deutscher Forschungszentren, Germany; National
Scientific Research Foundation; National Innovation Office, Hungary;
Department of Atomic Energy; Department of Science and Technology,
India; Institute for Studies in Theoretical Physics and Mathematics,
Iran; Science Foundation, Ireland; Istituto Nazionale di Fisica
Nucleare, Italy; Ministry of Science, ICT and Future Planning, and
National Research Foundation (NRF), Republic of Korea; Lithuanian
Academy of Sciences; Ministry of Education, and University of Malaya
(Malaysia); Mexican Funding Agency (BUAP); Mexican Funding Agency
(CINVESTAV); Mexican Funding Agency (CONACYT); Mexican Funding Agency
(LNS); Mexican Funding Agency (SEP); Mexican Funding Agency (UASLP-FAI);
Ministry of Business, Innovation and Employment, New Zealand; Pakistan
Atomic Energy Commission; Ministry of Science and Higher Education;
National Science Centre, Poland; Fundacao para a Ciencia e a Tecnologia,
Portugal; JINR, Dubna; Ministry of Education and Science of the Russian
Federation; Federal Agency of Atomic Energy of the Russian Federation;
Russian Academy of Sciences; Russian Foundation for Basic Research; the
Ministry of Education, Science and Technological Development of Serbia;
Secretaria de Estado de Investigacion, Desarrollo e Innovacion and
Programa Consolider-Ingenio, Spain; Swiss Funding Agency (ETH Board);
Swiss Funding Agency (ETH Zurich); Swiss Funding Agency (PSI); Swiss
Funding Agency (SNF); Swiss Funding Agency (UniZH); Swiss Funding Agency
(Canton Zurich); Swiss Funding Agency (SER); Ministry of Science and
Technology, Taipei; Thailand Center of Excellence in Physics; Institute
for the Promotion of Teaching Science and Technology of Thailand;
Special Task Force for Activating Research; National Science and
Technology Development Agency of Thailand; Scientific and Technical
Research Council of Turkey; Turkish Atomic Energy Authority; National
Academy of Sciences of Ukraine, Ukraine; State Fund for Fundamental
Researches, Ukraine; Science and Technology Facilities Council, U.K.; US
Department of Energy; US National Science Foundation
FX We congratulate our colleagues in the CERN accelerator departments for
the excellent performance of the LHC and thank the technical and
administrative staffs at CERN and at other CMS institutes for their
contributions to the success of the CMS effort. In addition, we
gratefully acknowledge the computing centers and personnel of the
Worldwide LHC Computing Grid for delivering so effectively the computing
infrastructure essential to our analyses.; Finally, we acknowledge the
enduring support for the construction and operation of the LHC and the
CMS detector provided by the following funding agencies: the Austrian
Federal Ministry of Science, Research and Economy and the Austrian
Science Fund; the Belgian Fonds de la Recherche Scientifique, and Fonds
voor Wetenschappelijk Onderzoek; the Brazilian Funding Agencies (CNPq,
CAPES, FAPERJ, and FAPESP); the Bulgarian Ministry of Education and
Science; CERN; the Chinese Academy of Sciences, Ministry of Science and
Technology, and National Natural Science Foundation of China; the
Colombian Funding Agency (COLCIENCIAS); the Croatian Ministry of
Science, Education and Sport, and the Croatian Science Foundation; the
Research Promotion Foundation, Cyprus; the Secretariat for Higher
Education, Science, Technology and Innovation, Ecuador; the Ministry of
Education and Research, Estonian Research Council via IUT23-4 and
IUT23-6 and European Regional Development Fund, Estonia; the Academy of
Finland, Finnish Ministry of Education and Culture, and Helsinki
Institute of Physics; the Institut National de Physique Nucleaire et de
Physique des Particules / CNRS, and Commissariat a l'Energie Atomique et
aux Energies Alternatives / CEA, France; the Bundesministerium fur
Bildung und Forschung, Deutsche Forschungsgemeinschaft, and
Helmholtz-Gemeinschaft Deutscher Forschungszentren, Germany; the General
Secretariat for Research and Technology, Greece; the National Scientific
Research Foundation, and National Innovation Office, Hungary; the
Department of Atomic Energy and the Department of Science and
Technology, India; the Institute for Studies in Theoretical Physics and
Mathematics, Iran; the Science Foundation, Ireland; the Istituto
Nazionale di Fisica Nucleare, Italy; the Ministry of Science, ICT and
Future Planning, and National Research Foundation (NRF), Republic of
Korea; the Lithuanian Academy of Sciences; the Ministry of Education,
and University of Malaya (Malaysia); the Mexican Funding Agencies (BUAP,
CINVESTAV, CONACYT, LNS, SEP, and UASLP-FAI); the Ministry of Business,
Innovation and Employment, New Zealand; the Pakistan Atomic Energy
Commission; the Ministry of Science and Higher Education and the
National Science Centre, Poland; the Fundacao para a Ciencia e a
Tecnologia, Portugal; JINR, Dubna; the Ministry of Education and Science
of the Russian Federation, the Federal Agency of Atomic Energy of the
Russian Federation, Russian Academy of Sciences, and the Russian
Foundation for Basic Research; the Ministry of Education, Science and
Technological Development of Serbia; the Secretaria de Estado de
Investigacion, Desarrollo e Innovacion and Programa Consolider-Ingenio
2010, Spain; the Swiss Funding Agencies (ETH Board, ETH Zurich, PSI,
SNF, UniZH, Canton Zurich, and SER); the Ministry of Science and
Technology, Taipei; the Thailand Center of Excellence in Physics, the
Institute for the Promotion of Teaching Science and Technology of
Thailand, Special Task Force for Activating Research and the National
Science and Technology Development Agency of Thailand; the Scientific
and Technical Research Council of Turkey, and Turkish Atomic Energy
Authority; the National Academy of Sciences of Ukraine, and State Fund
for Fundamental Researches, Ukraine; the Science and Technology
Facilities Council, U.K.; the US Department of Energy, and the US
National Science Foundation.; Individuals have received support from the
Marie-Curie program and the European Research Council and EPLANET
(European Union); the Leventis Foundation; the A. P. Sloan Foundation;
the Alexander von Humboldt Foundation; the Belgian Federal Science
Policy Office; the Fonds pour la Formation a la Recherche dans
l'Industrie et dans l'Agriculture (FRIA-Belgium); the Agentschap voor
Innovatie door Wetenschap en Technologie (IWT-Belgium); the Ministry of
Education, Youth and Sports (MEYS) of the Czech Republic; the Council of
Science and Industrial Research, India; the HOMING PLUS program of the
Foundation for Polish Science, cofinanced from European Union, Regional
Development Fund, the Mobility Plus program of the Ministry of Science
and Higher Education, the National Science Center (Poland), contracts
Harmonia 2014/14/M/ST2/00428, Opus 2013/11/B/ST2/04202,
2014/13/B/ST2/02543 and 2014/15/B/ST2/03998, Sonata-bis
2012/07/E/ST2/01406; the Thalis and Aristeia programs cofinanced by
EU-ESF and the Greek NSRF; the National Priorities Research Program by
Qatar National Research Fund; the Programa Clarin-COFUND del Principado
de Asturias; the Rachadapisek Sompot Fund for Postdoctoral Fellowship,
Chulalongkorn University and the Chulalongkorn Academic into Its 2nd
Century Project Advancement Project (Thailand); and the Welch
Foundation, contract C-1845.
NR 82
TC 0
Z9 0
U1 3
U2 3
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 2017
VL 12
AR P010120
DI 10.1088/1748-0221/12/01/P01020
PG 121
WC Instruments & Instrumentation
SC Instruments & Instrumentation
GA EN1KT
UT WOS:000395769600020
ER
PT J
AU Liu, H
Benoit, M
Chen, H
Chen, K
Di Bello, FA
Iacobucci, G
Lanni, F
Peric, I
Ristic, B
Pinto, MVB
Wu, W
Xu, L
Jin, G
AF Liu, H.
Benoit, M.
Chen, H.
Chen, K.
Di Bello, F. A.
Iacobucci, G.
Lanni, F.
Peric, I.
Ristic, B.
Pinto, M. Vicente Barreto
Wu, W.
Xu, L.
Jin, G.
TI Development of a modular test system for the silicon sensor R&D of the
ATLAS Upgrade
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article
DE Electronic detector readout concepts (solid-state); Optical detector
readout concepts; Particle tracking detectors (Solid-state detectors);
Solid state detectors
AB High Voltage CMOS sensors are a promising technology for tracking detectors in collider experiments. Extensive R& D studies are being carried out by the ATLAS Collaboration for a possible use of HV-CMOS in the High Luminosity LHC upgrade of the Inner Tracker detector. CaRIBOu (Control and Readout Itk BOard) is a modular test system developed to test Silicon based detectors. It currently includes five custom designed boards, a Xilinx ZC706 development board, FELIX (Front-End LInk eXchange) PCIe card and a host computer. A software program has been developed in Python to control the CaRIBOu hardware. CaRIBOu has been used in the testbeam of the HV-CMOS sensor AMS180v4 at CERN. Preliminary results have shown that the test system is very versatile. Further development is ongoing to adapt to different sensors, and to make it available to various lab test stands.
C1 [Liu, H.; Jin, G.] Univ Sci & Technol China, State Key Lab Particle Detect & Elect, Hefei 230026, Anhui, Peoples R China.
[Liu, H.; Jin, G.] Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China.
[Liu, H.; Chen, H.; Chen, K.; Lanni, F.; Wu, W.; Xu, L.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
[Benoit, M.; Di Bello, F. A.; Iacobucci, G.; Ristic, B.; Pinto, M. Vicente Barreto] Univ Geneva, DPNC, 24 Quai Ernest Ansermet, CH-1211 Geneva 4, Switzerland.
[Peric, I.] Karlsruhe Inst Technol, Kaiserstr 12, D-76131 Karlsruhe, Germany.
[Ristic, B.] European Org Nucl Res, CERN, 385 Route Meyrin, CH-1217 Meyrin, Switzerland.
RP Liu, H (reprint author), Univ Sci & Technol China, State Key Lab Particle Detect & Elect, Hefei 230026, Anhui, Peoples R China.; Liu, H (reprint author), Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China.; Liu, H (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
EM hliu2@bnl.gov
NR 12
TC 0
Z9 0
U1 0
U2 0
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 2017
VL 12
AR P01008
DI 10.1088/1748-0221/12/01/P01008
PG 10
WC Instruments & Instrumentation
SC Instruments & Instrumentation
GA EN1KT
UT WOS:000395769600008
ER
PT J
AU Imel, AE
Rostom, S
Holley, W
Baskaran, D
Mays, JW
Dadmun, MD
AF Imel, Adam E.
Rostom, Sahar
Holley, Wade
Baskaran, Durairaj
Mays, J. W.
Dadmun, Mark D.
TI The tracer diffusion coefficient of soft nanoparticles in a linear
polymer matrix
SO RSC ADVANCES
LA English
DT Article
ID SLOW MODE THEORIES; MACROMOLECULAR DIFFUSION; MECHANICAL-PROPERTIES;
PROPERTY MODIFIERS; MUTUAL DIFFUSION; POLYSTYRENE; NANOCOMPOSITES;
INTERDIFFUSION; REFLECTIVITY; ADDITIVES
AB The diffusion properties of nanoparticles in polymer nanocomposites are largely unknown and are often difficult to determine experimentally. To address this shortcoming, we have developed a novel method to determine the tracer diffusion coefficient of soft polystyrene nanoparticles in a linear polystyrene matrix. Monitoring the interdiffusion of soft nanoparticles into a linear polystyrene matrix provides the mutual diffusion coefficient of this system, from which the tracer diffusion coefficient of the soft nanoparticle can be determined using the slow mode theory. Utilizing this protocol, the role of nanoparticle molecular weight and rigidity on its tracer diffusion coefficient is provided. These results demonstrate that the diffusive behavior of these soft nanoparticles differ from that of star polymers, which is surprising since our recent studies suggest that the nanoparticle interacts with a linear polymer similarly to that of a star polymer. It appears that these deformable nanoparticles mostly closely mimic the diffusive behavior of fractal macromolecular architectures or microgels, where the transport of the nanoparticle relies on the cooperative motion of neighboring linear chains. The less cross-linked, and thus more deformable, nanoparticles diffuse faster than the more highly crosslinked nanoparticles, presumably because the increased deformability allows the nanoparticle to distort and fit into available space.
C1 [Imel, Adam E.; Rostom, Sahar; Baskaran, Durairaj; Mays, J. W.; Dadmun, Mark D.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Holley, Wade; Mays, J. W.; Dadmun, Mark D.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
RP Dadmun, MD (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.; Dadmun, MD (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM dad@utk.edu
FU Department of Energy, Office of Basic Energy Sciences, Division of
Materials Sciences and Engineering; Scientific User Facilities Division,
Office of Basic Energy Sciences, U. S. Department of Energy; National
Institute of Standards and Technology, U. S. Department of Commerce
FX This research is supported by the Department of Energy, Office of Basic
Energy Sciences, Division of Materials Sciences and Engineering. The
support of the Scientific User Facilities Division, Office of Basic
Energy Sciences, U. S. Department of Energy, who sponsors the Oak Ridge
National Laboratory Spallation Neutron Source is gratefully
acknowledged. We also acknowledge the support of the National Institute
of Standards and Technology, U. S. Department of Commerce for use of the
Polarized neutron reflectometer.
NR 36
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U1 0
U2 0
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 2017
VL 7
IS 25
BP 15574
EP 15581
DI 10.1039/c7ra00871f
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA EN9AC
UT WOS:000396290400071
ER
PT J
AU Lee, K
Gao, HL
Huang, MY
Sheffield, J
Shi, XG
AF Lee, Kyungtae
Gao, Huilin
Huang, Maoyi
Sheffield, Justin
Shi, Xiaogang
TI Development and Application of Improved Long-Term Datasets of Surface
Hydrology for Texas
SO ADVANCES IN METEOROLOGY
LA English
DT Article
ID CONTERMINOUS UNITED-STATES; COLORADO RIVER-BASIN; CLIMATE-CHANGE;
SOIL-MOISTURE; WATER-RESOURCES; FORECASTING SYSTEM; NORTH-AMERICA;
DROUGHT INDEX; GREAT-PLAINS; US
AB Freshwater availability and agricultural production are key factors for sustaining the fast growing population and economy in the state of Texas, which is the third largest state in terms of agricultural production in the United States. This paper describes a longterm (1918-2011) grid-based (1/8 degrees) surface hydrological dataset for Texas at a daily time step based on simulations from the Variable Infiltration Capacity (VIC) hydrological model. The model was calibrated and validated against observed streamflow over 10 Texas river basins. The simulated soil moisture was also evaluated using in situ observations. Results suggest that there is a decreasing trend in precipitation and an increasing trend in temperature in most of the basins. Droughts and floods were reconstructed and analyzed. In particular, the spatially distributed severity and duration of major Texas droughts were compared to identify new characteristics. The modeled flood recurrence interval and the return period were also compared with observations. Results suggest the performance of extreme flood simulations needs further improvement. This dataset is expected to serve as a benchmark which may contribute to water resources management and to mitigating agricultural drought, especially in the context of understanding the effects of climate change on crop yield in Texas.
C1 [Lee, Kyungtae; Gao, Huilin] Texas A&M Univ, Dept Civil Engn, College Stn, TX 77843 USA.
[Huang, Maoyi] Earth Syst Anal & Modeling Grp, Pacific Northwest Natl Lab, Richland, WA 99352 USA.
[Sheffield, Justin] Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA.
[Sheffield, Justin] Univ Southampton, Geog & Environm, Southampton SO17 1BJ, Hants, England.
[Shi, Xiaogang] Xian Jiaotong Liverpool Univ, Dept Civil Engn, Suzhou 215123, Peoples R China.
RP Gao, HL (reprint author), Texas A&M Univ, Dept Civil Engn, College Stn, TX 77843 USA.
EM hgao@civil.tamu.edu
FU US National Science Foundation [CBET-1454297]; Collaborative Research
Grant Program from Texas AM University; Consejo Nacional de Ciencia y
Tecnologia (TAMU-CONACYT) [2014-028]; Mills Scholarship from the Texas
Water Resources Institute; Integrated Assessment Research program
through the Integrated Multi-Sector Multi-Scale Modeling Scientific
Focus Area - Biological and Environmental Research Division, Office of
Science, US Department of Energy; US Department of Energy
[DE-AC05-76RLO1830]
FX This study was performed under the sponsorships of the US National
Science Foundation Grant CBET-1454297 and the Collaborative Research
Grant Program from Texas A&M University and the Consejo Nacional de
Ciencia y Tecnologia (TAMU-CONACYT 2014-028). Kyungtae Lee is partially
sponsored by the Mills Scholarship 2015-16 from the Texas Water
Resources Institute. Maoyi Huang is supported by the Integrated
Assessment Research program through the Integrated Multi-Sector
Multi-Scale Modeling Scientific Focus Area sponsored by the Biological
and Environmental Research Division, Office of Science, US Department of
Energy. PNNL is operated by Battelle Memorial Institute for the US
Department of Energy under Contract DE-AC05-76RLO1830. The authors thank
Dr. Do Hyuk Kang from the NASA Goddard Space Flight Center, who gave
them technical suggestions about the model. The authors also thank Dr.
Ben Livneh from the Cooperative Institute for Research in Environmental
Sciences (CIRES), University of Colorado, who provided the
long-termhydrologic datasets as a baseline.
NR 73
TC 0
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U1 3
U2 3
PU HINDAWI LTD
PI LONDON
PA ADAM HOUSE, 3RD FLR, 1 FITZROY SQ, LONDON, WIT 5HE, ENGLAND
SN 1687-9309
EI 1687-9317
J9 ADV METEOROL
JI Adv. Meteorol.
PY 2017
AR 8485130
DI 10.1155/2017/8485130
PG 13
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA EO7DN
UT WOS:000396851500001
ER
PT J
AU Booth, CH
Olive, DT
AF Booth, C. H.
Olive, D. T.
TI Effect of temperature and radiation damage on the local atomic structure
of metallic plutonium and related compounds
SO ADVANCES IN PHYSICS-X
LA English
DT Review
DE Radiation damage; stockpile stewardship; disordered materials; local
structure; X-ray absorption fine structure
ID ABSORPTION-FINE-STRUCTURE; EXTENDED-X-RAY; CERAMIC WASTE FORMS; PU-DOPED
GLASS; SELF-IRRADIATION; STRUCTURE SPECTROSCOPY; ION-IRRADIATION;
SOLID-SOLUTIONS; HEAVY-IONS; DEGREES K
AB This focused review provides an overview and a framework for understanding local structure in metallic plutonium (especially the metastable fcc delta-phase alloyed with Ga) as it relates to self-irradiation damage. Of particular concern is the challenge of understanding self-irradiation damage in plutonium-bearing materials where theoretical challenges of the unique involvement of the 5f electrons in bonding limit the efficacy of molecular dynamics simulations and experimental challenges of working with radioactive material have limited the ability to confirm the results of such simulations and to further push the field forward. The main concentration is on extended X-ray absorption fine-structure measurements of delta-phase Pu, but the scope is broadened to include certain studies on plutonium intermetallics and oxides insofar as they inform the physics of damage and healing processes in elemental Pu. The studies reviewed here provide insight into lattice distortions and their production, damage annealing and defect migration, and the importance of understanding and controlling sample morphology when interpreting such experiments.
[GRAPHICS]
.
C1 [Booth, C. H.; Olive, D. T.] Lawrence Berkeley Natl Lab, Chem Sci Div, Berkeley, CA 94720 USA.
[Olive, D. T.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM USA.
RP Booth, CH (reprint author), Lawrence Berkeley Natl Lab, Chem Sci Div, Berkeley, CA 94720 USA.
EM chbooth@lbl.gov
FU Office of Science, Office of Basic Energy Sciences (OBES) of the U.S.
Department of Energy (DOE) [DE-AC02-05CH11231]; U.S. DOE through Los
Alamos National Laboratory (LANL) Laboratory Directed Research and
Development Program; G. T. Seaborg Institute; U.S. DOE
[DE-AC52-06NA25396]
FX Work at Lawrence Berkeley National Laboratory was supported by the
Director, Office of Science, Office of Basic Energy Sciences (OBES), of
the U.S. Department of Energy (DOE) under contract [grant number
DE-AC02-05CH11231]. We also gratefully acknowledge the support of the
U.S. DOE through the Los Alamos National Laboratory (LANL) Laboratory
Directed Research and Development Program and the G. T. Seaborg
Institute. LANL is operated by Los Alamos National Security, LLC, for
the National Nuclear Security Administration of the U.S. DOE under
contract [grant number DE-AC52-06NA25396].
NR 93
TC 0
Z9 0
U1 4
U2 4
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 2374-6149
J9 ADV PHYS-X
JI Adv. Phys.-X
PY 2017
VL 2
IS 1
BP 1
EP 21
DI 10.1080/23746149.2016.1243994
PG 21
WC Physics, Multidisciplinary
SC Physics
GA EM4JU
UT WOS:000395280100002
ER
PT J
AU Hering, SV
Lewis, GS
Spielman, SR
Eiguren-Fernandez, A
Kreisberg, NM
Kuang, CA
Attoui, M
AF Hering, Susanne V.
Lewis, Gregory S.
Spielman, Steven R.
Eiguren-Fernandez, Arantzazu
Kreisberg, Nathan M.
Kuang, Chongai
Attoui, Michel
TI Detection near 1-nm with a laminar-flow, water-based condensation
particle counter
SO AEROSOL SCIENCE AND TECHNOLOGY
LA English
DT Article
ID NUCLEUS COUNTER; ELECTRICAL MOBILITY; 1 NM; SIZE; ULTRAFINE; BATTERY;
MASS; CNC
AB Presented is a laminar-flow, water-based condensation particle counter capable of particle detection near 1 nm. This instrument employs a three-stage, laminar-flow growth tube with a "moderator" stage that reduces the temperature and water content of the output flow without reducing the peak supersaturation, and makes feasible operation at the large temperature differences necessary for achieving high supersaturations. The instrument has an aerosol flow of 0.3 L/min, and does not use a filtered sheath flow. It is referred to as a "versatile" water condensation particle counter, or vWCPC, as operating temperatures can be adjusted in accordance with the cut-point desired. When operated with wall temperatures of similar to 2 degrees C, > 90 degrees C, and similar to 22 degrees C for the three stages, respectively, the vWCPC detects particles generated from a heated nichrome wire with a 50% efficiency cut-point near 1.6 nm mobility diameter. At these operating temperatures, it also detects 10-20% of large molecular ions formed from passing filtered ambient air through a bipolar ion source. Decreasing the temperature difference between the first two stages, with the first and second stages operated at 10 and 90 degrees C, respectively, essentially eliminates the response to charger ions, and raises the 50% efficiency cut-point for the nichrome wire particles to 1.9 nm mobility diameter. The time response, as measured by rapid removal of an inlet filter, yields a characteristic time constant of 195 ms.
C1 [Hering, Susanne V.; Lewis, Gregory S.; Spielman, Steven R.; Eiguren-Fernandez, Arantzazu; Kreisberg, Nathan M.] Aerosol Dynam Inc, 935 Grayson St, Berkeley, CA 94710 USA.
[Kuang, Chongai] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Attoui, Michel] Lisa Univ Paris Est Creteil, Paris, France.
RP Hering, SV (reprint author), Aerosol Dynam Inc, 935 Grayson St, Berkeley, CA 94710 USA.
EM susanne@aerosol.us
FU Brookhaven National Laboratory
FX The authors thank TSI Inc. for providing the electrometer, optics and
electronics, and we thank Brookhaven National Laboratory for supporting
CK's time while working in our laboratory.
NR 24
TC 0
Z9 0
U1 0
U2 0
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0278-6826
EI 1521-7388
J9 AEROSOL SCI TECH
JI Aerosol Sci. Technol.
PY 2017
VL 51
IS 3
BP 354
EP 362
DI 10.1080/02786826.2016.1262531
PG 9
WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences;
Meteorology & Atmospheric Sciences
SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric
Sciences
GA EL5LG
UT WOS:000394662000011
ER
PT J
AU Burnum-Johnson, KE
Kyle, JE
Eisfeld, AJ
Casey, CP
Stratton, KG
Gonzalez, JF
Habyarimana, F
Negretti, NM
Sims, AC
Chauhan, S
Thackray, LB
Halfmann, PJ
Walters, KB
Kim, YM
Zink, EM
Nicora, CD
Weitz, KK
Webb-Robertson, BJM
Nakayasu, ES
Ahmer, B
Konkel, ME
Motin, V
Baric, RS
Diamond, MS
Kawaoka, Y
Waters, KM
Smith, RD
Metz, TO
AF Burnum-Johnson, Kristin E.
Kyle, Jennifer E.
Eisfeld, Amie J.
Casey, Cameron P.
Stratton, Kelly G.
Gonzalez, Juan F.
Habyarimana, Fabien
Negretti, Nicholas M.
Sims, Amy C.
Chauhan, Sadhana
Thackray, Larissa B.
Halfmann, Peter J.
Walters, Kevin B.
Kim, Young-Mo
Zink, Erika M.
Nicora, Carrie D.
Weitz, Karl K.
Webb-Robertson, Bobbie-Jo M.
Nakayasu, Ernesto S.
Ahmer, Brian
Konkel, Michael E.
Motin, Vladimir
Baric, Ralph S.
Diamond, Michael S.
Kawaoka, Yoshihiro
Waters, Katrina M.
Smith, Richard D.
Metz, Thomas O.
TI MPLEx: a method for simultaneous pathogen inactivation and extraction of
samples for multi-omics profiling
SO ANALYST
LA English
DT Article
ID EMERGING INFECTIOUS-DISEASES; INFLUENZA-VIRUS; HEALTH; CHLOROFORM;
VACCINE; PROTEIN; BACTERIOPHAGE; PURIFICATION; BIODIVERSITY; SPORULATION
AB The continued emergence and spread of infectious agents is of great concern, and systems biology approaches to infectious disease research can advance our understanding of host-pathogen relationships and facilitate the development of new therapies and vaccines. Molecular characterization of infectious samples outside of appropriate biosafety containment can take place only subsequent to pathogen inactivation. Herein, we describe a modified Folch extraction using chloroform/methanol that facilitates the molecular characterization of infectious samples by enabling simultaneous pathogen inactivation and extraction of proteins, metabolites, and lipids for subsequent mass spectrometry-based multi-omics measurements. This single-sample metabolite, protein and lipid extraction (MPLEx) method resulted in complete inactivation of clinically important bacterial and viral pathogens with exposed lipid membranes, including Yersinia pestis, Salmonella Typhimurium, and Campylobacter jejuni in pure culture, and Yersinia pestis, Campylobacter jejuni, and West Nile, MERS-CoV, Ebola, and influenza H7N9 viruses in infection studies. In addition, >99% inactivation, which increased with solvent exposure time, was also observed for pathogens without exposed lipid membranes including community-associated methicillin-resistant Staphylococcus aureus, Clostridium difficile spores and vegetative cells, and adenovirus type 5. The overall pipeline of inactivation and subsequent proteomic, metabolomic, and lipidomic analyses was evaluated using a human epithelial lung cell line infected with wild-type and mutant influenza H7N9 viruses, thereby demonstrating that MPLEx yields biomaterial of sufficient quality for subsequent multi-omics analyses. Based on these experimental results, we believe that MPLEx will facilitate systems biology studies of infectious samples by enabling simultaneous pathogen inactivation and multi-omics measurements from a single specimen with high success for pathogens with exposed lipid membranes.
C1 [Burnum-Johnson, Kristin E.; Kyle, Jennifer E.; Casey, Cameron P.; Stratton, Kelly G.; Kim, Young-Mo; Zink, Erika M.; Nicora, Carrie D.; Weitz, Karl K.; Nakayasu, Ernesto S.; Waters, Katrina M.; Smith, Richard D.; Metz, Thomas O.] Pacific Northwest Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
[Eisfeld, Amie J.; Halfmann, Peter J.; Walters, Kevin B.; Kawaoka, Yoshihiro] Univ Wisconsin, Sch Vet Med, Dept Pathobiol Sci, Influenza Res Inst, Madison, WI 53706 USA.
[Gonzalez, Juan F.; Habyarimana, Fabien; Ahmer, Brian] Ohio State Univ, Dept Microbial Infect & Immun, Columbus, OH 43210 USA.
[Negretti, Nicholas M.; Konkel, Michael E.] Washington State Univ, Coll Vet Med, Sch Mol Biosci, Pullman, WA 99164 USA.
[Sims, Amy C.; Baric, Ralph S.] Univ North Carolina Chapel Hill, Dept Epidemiol, Chapel Hill, NC USA.
[Chauhan, Sadhana; Motin, Vladimir] Univ Texas Med Branch, Dept Pathol, Galveston, TX 77555 USA.
[Thackray, Larissa B.; Diamond, Michael S.] Washington Univ, Sch Med, Dept Med, St Louis, MO 63110 USA.
[Thackray, Larissa B.; Diamond, Michael S.] Washington Univ, Sch Med, Dept Mol Microbiol, St Louis, MO 63110 USA.
[Thackray, Larissa B.; Diamond, Michael S.] Washington Univ, Sch Med, Dept Pathol, St Louis, MO 63110 USA.
[Thackray, Larissa B.; Diamond, Michael S.] Washington Univ, Sch Med, Dept Immunol, St Louis, MO USA.
[Webb-Robertson, Bobbie-Jo M.] Pacific Northwest Natl Lab, Computat & Stat Analyt Div, Richland, WA USA.
RP Metz, TO (reprint author), Pacific Northwest Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
EM thomas.metz@pnnl.gov
RI Kim, Young-Mo/D-3282-2009; Motin, Vladimir/O-1535-2013; Smith,
Richard/J-3664-2012;
OI Kim, Young-Mo/0000-0002-8972-7593; Smith, Richard/0000-0002-2381-2349;
burnum-johnson, kristin/0000-0002-2722-4149
FU Systems Biology Program of the National Institute of Allergy and
Infectious Diseases, National Institutes of Health [U19AI106772];
National Institute of General Medical Sciences [GM103493]; DOE
[DE-AC05-76RLO01830]
FX This project was funded by the Systems Biology Program of the National
Institute of Allergy and Infectious Diseases, National Institutes of
Health, via grant U19AI106772. Portions of the work utilized
capabilities developed under National Institute of General Medical
Sciences grant GM103493. Multi-omics measurements were performed in the
Environmental Molecular Science Laboratory, a U.S. DOE national
scientific user facility at Pacific Northwest National Laboratory (PNNL)
in Richland, WA. Battelle operates PNNL for the DOE under contract
DE-AC05-76RLO01830. We would like to thank PNNL Graphic Designer Michael
Perkins for assistance in preparing the figures.
NR 62
TC 0
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U1 1
U2 1
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0003-2654
EI 1364-5528
J9 ANALYST
JI Analyst
PY 2017
VL 142
IS 3
BP 442
EP 448
DI 10.1039/c6an02486f
PG 7
WC Chemistry, Analytical
SC Chemistry
GA EM6KI
UT WOS:000395421000003
PM 28091625
ER
PT J
AU Vandavasi, VG
Langan, PS
Weiss, KL
Parks, JM
Cooper, JB
Ginell, SL
Coates, L
AF Vandavasi, Venu Gopal
Langan, Patricia S.
Weiss, Kevin L.
Parks, Jerry M.
Cooper, Jonathan B.
Ginell, Stephan L.
Coates, Leighton
TI Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class
A beta-Lactamase with a Monobactam Substrate
SO ANTIMICROBIAL AGENTS AND CHEMOTHERAPY
LA English
DT Article
DE beta-lactamase; aztreonam; acyl-enzyme complex; neutron structure; X-ray
structure
ID CRYSTAL-STRUCTURE; DIRECTED MUTAGENESIS; ANGSTROM RESOLUTION;
EXTENDED-SPECTRUM; BACTERIAL-RESISTANCE; ACYLATION MECHANISM; E166A
MUTANT; ANTIBIOTICS; TOHO-1; MUTATIONS
AB The monobactam antibiotic aztreonam is used to treat cystic fibrosis patients with chronic pulmonary infections colonized by Pseudomonas aeruginosa strains expressing CTX-M extended-spectrum beta-lactamases. The protonation states of active-site residues that are responsible for hydrolysis have been determined previously for the apo form of a CTX-M beta-lactamase but not for a monobactam acyl-enzyme intermediate. Here we used neutron and high-resolution X-ray crystallography to probe the mechanism by which CTX-M extended-spectrum beta-lactamases hydrolyze monobactam antibiotics. In these first reported structures of a class A beta-lactamase in an acyl-enzyme complex with aztreonam, we directly observed most of the hydrogen atoms (as deuterium) within the active site. Although Lys 234 is fully protonated in the acyl intermediate, we found that Lys 73 is neutral. These findings are consistent with Lys 73 being able to serve as a general base during the acylation part of the catalytic mechanism, as previously proposed.
C1 [Vandavasi, Venu Gopal; Langan, Patricia S.; Weiss, Kevin L.; Coates, Leighton] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37830 USA.
[Parks, Jerry M.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37830 USA.
[Cooper, Jonathan B.] Birkbeck Univ London, London, England.
[Ginell, Stephan L.] Argonne Natl Lab, Struct Biol Ctr, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Coates, L (reprint author), Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37830 USA.
EM coatesl@ornl.gov
FU Laboratory Directed Research and Development Program at Oak Ridge
National Laboratory (ORNL); Scientific User Facilities Division, Office
of Basic Energy Sciences, U.S. Department of Energy; Oak Ridge National
Laboratory's Center for Structural Molecular Biology (CSMB); U.S.
Department of Energy, Office of Biological and Environmental Research
[DE-AC02-06CH11357]
FX This research was sponsored by the Laboratory Directed Research and
Development Program at Oak Ridge National Laboratory (ORNL), which is
managed by UT-Battelle, LLC, for the U.S. Department of Energy (DOE).
Research at ORNL's Spallation Neutron Source was sponsored by the
Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy. The Office of Biological and Environmental
Research supported research at Oak Ridge National Laboratory's Center
for Structural Molecular Biology (CSMB), using facilities supported by
the Scientific User Facilities Division, Office of Basic Energy
Sciences, U.S. Department of Energy. Results shown in this report are
derived from work performed at Argonne National Laboratory (ANL),
Structural Biology Center at the Advanced Photon Source. ANL is operated
by UChicago Argonne, LLC, for the U.S. Department of Energy, Office of
Biological and Environmental Research, under contract DE-AC02-06CH11357.
NR 39
TC 1
Z9 1
U1 0
U2 0
PU AMER SOC MICROBIOLOGY
PI WASHINGTON
PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA
SN 0066-4804
EI 1098-6596
J9 ANTIMICROB AGENTS CH
JI Antimicrob. Agents Chemother.
PD JAN
PY 2017
VL 61
IS 1
AR e01636-16
DI 10.1128/AAC.01636-16
PG 7
WC Microbiology; Pharmacology & Pharmacy
SC Microbiology; Pharmacology & Pharmacy
GA EK7HC
UT WOS:000394095800036
ER
PT J
AU Odele, OD
Lukens, JM
Jaramillo-Villegas, JA
Imany, P
Langrock, C
Fejer, MM
Leaird, DE
Weiner, AM
AF Odele, Ogaga D.
Lukens, Joseph M.
Jaramillo-Villegas, Jose A.
Imany, Poolad
Langrock, Carsten
Fejer, Martin M.
Leaird, Daniel E.
Weiner, Andrew M.
TI High-speed switching of biphoton delays through electro-optic pump
frequency modulation
SO APL PHOTONICS
LA English
DT Article
ID DISPERSION CANCELLATION; ENTANGLED PHOTONS; QUANTUM
AB The realization of high-speed tunable delay control has received significant attention in the scene of classical photonics. In quantum optics, however, such rapid delay control systems for entangled photons have remained undeveloped. Here for the first time, we demonstrate rapid (2.5 MHz) modulation of signal-idler arrival times through electro-optic pump frequency modulation. Our technique applies the quantum phenomenon of nonlocal dispersion cancellation along with pump frequency tuning to control the relative delay between photon pairs. Chirped fiber Bragg gratings are employed to provide large amounts of dispersion which result in biphoton delays exceeding 30 ns. This rapid delay modulation scheme could be useful for on-demand single-photon distribution in addition to quantum versions of pulse position modulation. (C) 2016 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
C1 [Odele, Ogaga D.; Jaramillo-Villegas, Jose A.; Imany, Poolad; Leaird, Daniel E.; Weiner, Andrew M.] Purdue Univ, Sch Elect & Comp Engn, W Lafayette, IN 47907 USA.
[Odele, Ogaga D.; Jaramillo-Villegas, Jose A.; Imany, Poolad; Leaird, Daniel E.; Weiner, Andrew M.] Purdue Univ, Purdue Quantum Ctr, W Lafayette, IN 47907 USA.
[Lukens, Joseph M.] Oak Ridge Natl Lab, Quantum Informat Sci Grp, Oak Ridge, TN 37831 USA.
[Jaramillo-Villegas, Jose A.] Univ Tecnol Pereira, Fac Ingn, Risaralda 660003, Colombia.
[Langrock, Carsten; Fejer, Martin M.] Stanford Univ, EL Ginzton Lab, Stanford, CA 94305 USA.
RP Weiner, AM (reprint author), Purdue Univ, Sch Elect & Comp Engn, W Lafayette, IN 47907 USA.; Weiner, AM (reprint author), Purdue Univ, Purdue Quantum Ctr, W Lafayette, IN 47907 USA.
EM amw@purdue.edu
OI Lukens, Joseph/0000-0001-9650-4462; Odele, Ogaga/0000-0001-5869-8614
FU National Science Foundation [ECCS-1407620]; U.S. Department of Energy
[DE-AC05-00OR22725]; Colciencias Colombia through the Francisco Jose de
Caldas [529]; Fullbright Colombia
FX This work was funded by the National Science Foundation under Grant No.
ECCS-1407620 and performed in part at Oak Ridge National Laboratory,
operated by UT-Battelle for the U.S. Department of Energy under Contract
No. DE-AC05-00OR22725. J.A.J. acknowledges support from Colciencias
Colombia through the Francisco Jose de Caldas Conv. 529 scholarship and
Fullbright Colombia. We thank Sandeep Baskar for assistance with the
wavelength switch.
NR 28
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 2378-0967
J9 APL PHOTONICS
JI APL Phontonics
PD JAN
PY 2017
VL 2
IS 1
AR 011301
DI 10.1063/1.4971313
PG 6
WC Optics
SC Optics
GA EM5WK
UT WOS:000395384200002
ER
PT J
AU Holzrichter, JF
Manes, KR
AF Holzrichter, John F.
Manes, Kenneth R.
TI A > 2-MJ, 10(14)-W laser system for DT fusion-NIF: a note in celebration
of the 75th birthday of Prof. Theodore Haensch
SO APPLIED PHYSICS B-LASERS AND OPTICS
LA English
DT Article
ID PERFORMANCE; POWER
AB In 1970, Dr. Theodore Haensch joined A.L. Schawlow's group in the physics department at Stanford, as a NATO postdoctoral researcher. Within a short time, he and his colleagues had invented a new, high-resolution, tunable laser system using expanded reflection gratings and an N2 laser for pumping the fluorescing dyes. This work resulted in a high-brightness, high-repetition-rate, narrow-band laser probe for conducting optical spectroscopy at extreme levels of precision. Dr. Haensch, and his many colleagues, particularly Prof. Arthur Schawlow and their students at Stanford, then proceeded to revolutionize optical spectroscopy and to train several generations of exceptional young scientists. At the same time, the Siegman, Harris, and Byer laboratories also at Stanford were making major contributions to the laser and quantum electronics fields. Several students from both groups joined the Livermore Laboratory. That early work, and that of others, encouraged teams at the Lawrence Livermore National Laboratory to design and build a series of increasing complicated, high-power multi-beam laser systems to investigate the potential of laser fusion. The National Ignition Facility, recently completed, is enabling investigations of matter at very high temperatures, T > 1 million K and densities 100-1000x normal. In addition, researchers are creating 10(15) DT fusion neutrons per fusion experiment and generating new knowledge about unusual and important conditions of matter.
C1 [Holzrichter, John F.; Manes, Kenneth R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Holzrichter, JF (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM jfholz@gmail.com
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]
FX This work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under Contract
DE-AC52-07NA27344. The document submitted for publication is
LLNL-JRNL-701399.
NR 21
TC 0
Z9 0
U1 1
U2 1
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0946-2171
EI 1432-0649
J9 APPL PHYS B-LASERS O
JI Appl. Phys. B-Lasers Opt.
PD JAN
PY 2017
VL 123
IS 1
AR 42
DI 10.1007/s00340-016-6594-6
PG 6
WC Optics; Physics, Applied
SC Optics; Physics
GA EL0CL
UT WOS:000394290300042
ER
PT J
AU Ebert, B
Rautengarten, C
Heazlewood, JL
AF Ebert, Berit
Rautengarten, Carsten
Heazlewood, Joshua L.
TI GDP-L-fucose transport in plants: The missing piece
SO CHANNELS
LA English
DT News Item
DE Golgi apparatus; nucleotide sugars
ID ARABIDOPSIS; FAMILY
C1 [Ebert, Berit; Rautengarten, Carsten; Heazlewood, Joshua L.] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Biol Syst & Engn Div, Berkeley, CA USA.
[Ebert, Berit; Rautengarten, Carsten; Heazlewood, Joshua L.] Univ Melbourne, Sch BioSci, Melbourne, Vic 3010, Australia.
RP Heazlewood, JL (reprint author), Univ Melbourne, Sch BioSci, Melbourne, Vic 3010, Australia.
EM jheazlewood@unimelb.edu.au
NR 8
TC 0
Z9 0
U1 0
U2 0
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 1933-6950
EI 1933-6969
J9 CHANNELS
JI Channels
PY 2017
VL 11
IS 1
BP 8
EP 10
DI 10.1080/19336950.2016.1222760
PG 3
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EL4RK
UT WOS:000394608400004
PM 27588459
ER
PT J
AU Xia, P
Huang, ZY
Li, X
Romero, JJ
Vullev, VI
Pau, GSH
Tang, ML
AF Xia, Pan
Huang, Zhiyuan
Li, Xin
Romero, Juan J.
Vullev, Valentine I.
Pau, George Shu Heng
Tang, Ming Lee
TI On the efficacy of anthracene isomers for triplet transmission from CdSe
nanocrystals
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID SENSITIZED SOLAR-CELLS; ENERGY-TRANSFER; UP-CONVERSION; ORGANIC-DYES;
QUANTUM-DOT; FLUORESCENCE; CH3NH3PBI3; LENGTHS; LIGAND; STATE
AB The effect of isomeric substitutions on the transmitter for triplet energy transfer (TET) between nanocrystal (NC) donor and molecular acceptor is investigated. Each isomeric acceptor is expected to bind in a unique orientation with respect to the NC donor. We see that this orbital overlap drastically affects the transmission of triplets. Here, two functional groups, the carboxylic acid and dithiocarbamate, were varied between the 1-, 2- and 9-positions of the anthracene ring to give three ACA and three ADTC isomers. These six anthracene isomers served as transmitters for triplets between CdSe NC sensitizers and 9,10-diphenylanthracene annihilators for photon upconversion. The photon upconversion quantum yield (QY) is the highest for 9-ACA (12%), lowest for 9-ADTC (0.1%), around 3% for both 1-ACA and 1-ADTC, and about 1% for the 2-isomers. These trends in QYs are reflected in the rates of TET given by ultrafast transient absorption spectroscopy where a maximum of 3.8 x 10(7) s(-1) for 9-ACA was measured. Molecular excited state energy levels were measured both in solution and polymer hosts to correlate structure to TET. This work confirms that anthracene excited states levels are very sensitive tomolecular substitution, which in combination with orbital overlap, critically affect Dexter-based TET.
C1 [Xia, Pan; Tang, Ming Lee] Univ Calif Riverside, Mat Sci & Engn Program, Riverside, CA 92521 USA.
[Huang, Zhiyuan; Li, Xin; Vullev, Valentine I.; Tang, Ming Lee] Univ Calif Riverside, Dept Chem, Riverside, CA 92521 USA.
[Romero, Juan J.; Vullev, Valentine I.] Univ Calif Riverside, Dept Bioengn, Riverside, CA 92521 USA.
[Pau, George Shu Heng] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Romero, Juan J.] Univ Nacl La Plata, Fac Ciencias Exactas, Inst Invest Fisicoquim Teor & Aplicadas INIFTA, Casilla Correo 16,Sucursal 4, RA-1900 La Plata, Buenos Aires, Argentina.
RP Tang, ML (reprint author), Univ Calif Riverside, Mat Sci & Engn Program, Riverside, CA 92521 USA.; Tang, ML (reprint author), Univ Calif Riverside, Dept Chem, Riverside, CA 92521 USA.
EM mltang@ucr.edu
NR 33
TC 0
Z9 0
U1 12
U2 12
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 2017
VL 53
IS 7
BP 1241
EP 1244
DI 10.1039/c6cc08229g
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA EK9KS
UT WOS:000394244000006
PM 28067341
ER
PT J
AU Elsaidi, SK
Mohamed, MH
Simon, CM
Braun, E
Pham, T
Forrest, KA
Xu, WQ
Banerjee, D
Space, B
Zaworotko, MJ
Thallapally, PK
AF Elsaidi, Sameh K.
Mohamed, Mona H.
Simon, Cory M.
Braun, Efrem
Pham, Tony
Forrest, Katherine A.
Xu, Wenqian
Banerjee, Debasis
Space, Brian
Zaworotko, Michael J.
Thallapally, Praveen K.
TI Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni)
pillared square grid networks
SO CHEMICAL SCIENCE
LA English
DT Article
ID METAL-ORGANIC FRAMEWORK; SELECTIVE CO2 UPTAKE; COORDINATION POLYMERS;
GUEST MOLECULES; SEPARATION; GATE; SORPTION; DYNAMICS; BEHAVIOR; REMOVAL
AB Dynamic and flexible metal-organic frameworks (MOFs) that respond to external stimuli, such as stress, light, heat, and the presence of guest molecules, hold promise for applications in chemical sensing, drug delivery, gas separations, and catalysis. A greater understanding of the relationship between flexible constituents in MOFs and gas adsorption may enable the rational design of MOFs with dynamic moieties and stimuli-responsive behavior. Here, we detail the effect of subtle structural changes upon the gas sorption behavior of two "SIFSIX" pillared square grid frameworks, namely SIFSIX-3-M (M = Ni, Fe). We observe a pronounced inflection in the Xe adsorption isotherm in the Ni variant. With evidence from X-ray diffraction studies, density functional theory, and molecular simulations, we attribute the inflection to a disordered to ordered transition of the rotational configurations of the pyrazine rings induced by sorbate-sorbent interactions. We also address the effect of cage size, temperature, and sorbate on the guest-induced ring rotation and the adsorption isotherms. The absence of an inflection in the Xe adsorption isotherm in SIFSIX-3-Fe and in the Kr, N-2, and CO2 adsorption isotherms in SIFSIX-3-Ni suggest that the inflection is highly sensitive to the match between the size of the cage and the guest molecule.
C1 [Elsaidi, Sameh K.; Mohamed, Mona H.] Univ Alexandria, Fac Sci, Dept Chem, POB 426, Alexandria 21321, Egypt.
[Elsaidi, Sameh K.; Banerjee, Debasis; Thallapally, Praveen K.] Pacific Northwest Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99352 USA.
[Simon, Cory M.; Braun, Efrem] Univ Calif Berkeley, Dept Biomol & Chem Engn, Berkeley, CA 94720 USA.
[Pham, Tony; Forrest, Katherine A.; Space, Brian] Univ S Florida, Dept Chem, CHE205, 4202 E Fowler Ave, Tampa, FL 33620 USA.
[Xu, Wenqian] Argonne Natl Lab, Xray Sci Div Adv Photon Source, Argonne, IL 60439 USA.
[Zaworotko, Michael J.] Univ Limerick, Dept Chem & Environm Sci, Limerick, Ireland.
RP Thallapally, PK (reprint author), Pacific Northwest Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99352 USA.; Zaworotko, MJ (reprint author), Univ Limerick, Dept Chem & Environm Sci, Limerick, Ireland.
EM Michael.Zaworotko@ul.ie; praveen.thallapally@pnnl.gov
OI Simon, Cory/0000-0002-8181-9178
FU U.S. Department of Energy by Battelle Memorial Institute
[DE-AC05-76RL01830]; U. S. Department of Energy (DOE) Office of Science
User Facility operated for the DOE Office of Science by Argonne National
Laboratory [DE-AC02-06CH11357]; National Science Foundation
[CHE-1152362]; Major Research Instrumentation Program [CHE-1531590];
Office of Science of the U. S. Department of Energy [DE-AC02-05CH11231];
Science Foundation Ireland [13/RP/B2549]; [TGDMR090028]
FX The authors would like to acknowledge the Office of Nuclear Energy, U.S.
Department of Energy (DOE), Fuel Cycle Research and Development program
for synthesis, characterization and breakthrough measurements at room
temperature. PKT would like to thank Terry Todd (INL), John Vienna
(PNNL), Robert Jubin (ORNL), and Kimberly Gray (DOE-NE HQ) for technical
and programmatic guidance. Paci. c Northwest National Laboratory is a
multiprogram national laboratory operated for the U. S. Department of
Energy by Battelle Memorial Institute under Contract DE-AC05-76RL01830.
The PXRD studies used beamline 17-BM of the Advanced Photon Source, a U.
S. Department of Energy (DOE) Office of Science User Facility operated
for the DOE Office of Science by Argonne National Laboratory under
Contract No. DE-AC02-06CH11357. B. S. acknowledges the National Science
Foundation (Award No. CHE-1152362), including support from the Major
Research Instrumentation Program (Award No. CHE-1531590), the
computational resources that were made available by an XSEDE Grant (No.
TGDMR090028), and the use of services provided by Research Computing at
the University of South Florida. E. B. used resources of the National
Energy Research Scienti. c Computing Center, a DOE Office of Science
User Facility supported by the Office of Science of the U. S. Department
of Energy under Contract No. DE-AC02-05CH11231. C. S. and E. B.
acknowledge Berend Smit for his support and valuable discussions. MZ
acknowledges Science Foundation Ireland (13/RP/B2549) for their generous
financial support.
NR 60
TC 1
Z9 1
U1 5
U2 5
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2041-6520
EI 2041-6539
J9 CHEM SCI
JI Chem. Sci.
PY 2017
VL 8
IS 3
BP 2373
EP 2380
DI 10.1039/c6sc05012c
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA EN3KH
UT WOS:000395906900088
ER
PT J
AU Bonamici, CE
Kinman, WS
Fournelle, JH
Zimmer, MM
Pollington, AD
Rector, KD
AF Bonamici, Chloe E.
Kinman, William S.
Fournelle, John H.
Zimmer, Mindy M.
Pollington, Anthony D.
Rector, Kirk D.
TI A geochemical approach to constraining the formation of glassy fallout
debris from nuclear tests
SO CONTRIBUTIONS TO MINERALOGY AND PETROLOGY
LA English
DT Article
DE Trinitite; Microanalysis; Condensation; Glass; Fallout formation;
Nuclear forensics
ID GAMMA-RAY SPECTROSCOPY; IVORY-COAST TEKTITES; AUSTRALASIAN TEKTITES;
BEARING SPHERULES; CHICXULUB IMPACT; BOMB DEBRIS; TRINITITE;
CONDENSATION; YIELD; FULGURITE
AB Glassy nuclear fallout debris from near-surface nuclear tests is fundamentally reprocessed earth material. A geochemical approach to analysis of glassy fallout is uniquely suited to determine the means of reprocessing and shed light on the mechanisms of fallout formation. An improved understanding of fallout formation is of interest both for its potential to guide post-detonation nuclear forensic investigations and in the context of possible affinities between glassy debris and other glasses generated by high-energy natural events, such as meteorite impacts and lightning strikes. This study presents a large majorelement compositional dataset for glasses within aerodynamic fallout from the Trinity nuclear test ("trinitite") and a geochemically based analysis of the glass compositional trends. Silica-rich and alkali-rich trinitite glasses show compositions and textures consistent with formation through melting of individual mineral grains-quartz and alkali feldspar, respectively-from the test-site sediment. The volumetrically dominant glass phase-called the CaMgFe glass-shows extreme major-element compositional variability. Compositional trends in the CaMgFe glass are most consistent with formation through volatility-controlled condensation from compositionally heterogeneous plasma. Radioactivity occurs only in CaMgFe glass, indicating that co-condensation of evaporated bulk ground material and trace device material was the main mechanism of radioisotope incorporation into trinitite. CaMgFe trinitite glasses overlap compositionally with basalts, rhyolites, fulgurites, tektites, and microtektites but display greater compositional diversity than all of these naturally formed glasses. Indeed, the most refractory CaMgFe glasses compositionally resemble early solar system condensates-specifically, CAIs.
C1 [Bonamici, Chloe E.; Kinman, William S.; Zimmer, Mindy M.; Pollington, Anthony D.] Los Alamos Natl Lab, Div Chem, Nucl & Radiochem Grp, POB 1663,MS J514, Los Alamos, NM 87545 USA.
[Fournelle, John H.] Univ Wisconsin Madison, Dept Geosci, 1215 W Dayton St, Madison, WI 53706 USA.
[Rector, Kirk D.] Los Alamos Natl Lab, Div Chem, Phys Chem & Appl Spect Grp, POB 1663,MS J567, Los Alamos, NM 87545 USA.
[Bonamici, Chloe E.] New Mexico Inst Min & Technol, Dept Earth & Environm Sci, 801 Leroy Pl, Socorro, NM 87801 USA.
[Zimmer, Mindy M.] Pacific North West Natl Lab, POB 999,MS J4-70,902 Battelle Blvd, Richland, WA 99352 USA.
RP Bonamici, CE (reprint author), Los Alamos Natl Lab, Div Chem, Nucl & Radiochem Grp, POB 1663,MS J514, Los Alamos, NM 87545 USA.; Bonamici, CE (reprint author), New Mexico Inst Min & Technol, Dept Earth & Environm Sci, 801 Leroy Pl, Socorro, NM 87801 USA.
EM chloe.bonamici@nmt.edu
OI Pollington, Anthony/0000-0002-0678-9271
FU United States Department of Energy; G. T. Seaborg Institute for Actinide
Science; U. S. Department of Energy [DE-AC52-06NA25396]; Strategic
Outcomes Office at Los Alamos National Lab
FX The authors thank Drs. Warren Oldham and Susan Hanson of Los Alamos
National Lab for providing the samples used in this work. Dr. Ryna
Marinenko is thanked for help in obtaining analytical glass standards.
Many thanks to two helpful anonymous reviewers and Dr. Mark Ghiorso for
his efficient editorial handling. This project was funded through the
United States Department of Energy, the G. T. Seaborg Institute for
Actinide Science, and the Strategic Outcomes Office at Los Alamos
National Lab. 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. This
document has been approved for unlimited release under LA-UR-15-20991.
NR 91
TC 0
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U1 1
U2 1
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0010-7999
EI 1432-0967
J9 CONTRIB MINERAL PETR
JI Contrib. Mineral. Petrol.
PD JAN
PY 2017
VL 172
IS 1
AR 2
DI 10.1007/s00410-016-1320-2
PG 23
WC Geochemistry & Geophysics; Mineralogy
SC Geochemistry & Geophysics; Mineralogy
GA EO0LQ
UT WOS:000396389700002
ER
PT J
AU Yan, DH
Cen, JJ
Zhang, WR
Orlov, A
Liu, MZ
AF Yan, Danhua
Cen, Jiajie
Zhang, Wenrui
Orlov, Alexander
Liu, Mingzhao
TI Hydrothermal growth of ZnO nanowire arrays: fine tuning by precursor
supersaturation
SO CRYSTENGCOMM
LA English
DT Article
ID SENSITIZED SOLAR-CELLS; THIN-FILMS; NANOROD ARRAYS; OPTICAL-PROPERTIES;
AQUEOUS-SOLUTIONS; ZINC; WATER; SI; FABRICATION; NUCLEATION
AB Here we develop a technique that fine tunes the hydrothermal growth of ZnO nanowires to address the difficulties in controlling their growth in a conventional one-pot hydrothermal method. In our technique, precursors are separately and slowly supplied with the assistance of a syringe pump, through the entire course of the growth. Compared to the one-pot method, the significantly lowered supersaturation of precursors helps eliminating competitive homogeneous nucleation and improves the reproducibility. The supersaturation degree can be readily tuned by the precursor quantity and injection rate, thus forming ZnO nanowire arrays of various geometries and packing densities in a highly controllable fashion. The precise control of ZnO nanowire growth enables systematic studies on the correlation between the material's properties and its morphology. In this work, ZnO nanowire arrays of various morphologies are studied as photoelectrochemical (PEC) water splitting photoanodes, in which we establish clear correlations between the water splitting performance and the nanowires' size, shape, and packing density.
C1 [Yan, Danhua; Zhang, Wenrui; Liu, Mingzhao] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Yan, Danhua; Cen, Jiajie; Orlov, Alexander] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA.
RP Liu, MZ (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
EM mzliu@bnl.gov
NR 49
TC 0
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U1 5
U2 5
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 2017
VL 19
IS 3
BP 584
EP 591
DI 10.1039/c6ce02368a
PG 8
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA EM6RI
UT WOS:000395439400020
ER
PT J
AU Schaumann, J
Loor, M
Unal, D
Mudring, A
Heimann, S
Hagemann, U
Schulz, S
Maculewicz, F
Schierning, G
AF Schaumann, Julian
Loor, Manuel
Uenal, Derya
Mudring, Anja
Heimann, Stefan
Hagemann, Ulrich
Schulz, Stephan
Maculewicz, Franziska
Schierning, Gabi
TI Improving the zT value of thermoelectrics by nanostructuring: tuning the
nanoparticle morphology of Sb2Te3 by using ionic liquids
SO DALTON TRANSACTIONS
LA English
DT Article
ID ANTIMONY TELLURIDE SB2TE3; BISMUTH TELLURIDE; TOPOLOGICAL INSULATORS;
SOLVOTHERMAL SYNTHESIS; OPTICAL-PROPERTIES; LOW-TEMPERATURE; CO
OXIDATION; PERFORMANCE; BI2TE3; CRYSTALS
AB A systematic study on the microwave-assisted thermolysis of the single source precursor (Et2Sb)(2)Te (1) in different asymmetric 1-alkyl-3-methylimidazolium-and symmetric 1,3-dialkylimidazolium-based ionic liquids (ILs) reveals the distinctive role of both the anion and the cation in tuning the morphology and microstructure of the resulting Sb2Te3 nanoparticles as evidenced by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDX), and X-ray photoelectron spectroscopy (XPS). A comparison of the electrical and thermal conductivities as well as the Seebeck coefficient of the Sb2Te3 nanoparticles obtained from different ILs reveals the strong influence of the specific IL, from which C(4)mimI was identified as the best solvent, on the thermoelectric properties of as-prepared nano-sized Sb2Te3. This work provides design guidelines for ILs, which allow the synthesis of nanostructured thermoelectrics with improved performances.
C1 [Schaumann, Julian; Loor, Manuel; Uenal, Derya; Mudring, Anja] Ruhr Univ Bochum, Inorgan Chem Mat Synth & Characterizat 3, DE-44801 Bochum, Germany.
[Schaumann, Julian; Loor, Manuel; Heimann, Stefan; Schulz, Stephan] Univ Duisburg Essen, Fac Chem, DE-45117 Essen, Germany.
[Schaumann, Julian; Loor, Manuel; Heimann, Stefan; Schulz, Stephan] Univ Duisburg Essen, Ctr NanoIntegrat CENIDE, DE-45117 Essen, Germany.
[Mudring, Anja] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
[Mudring, Anja] US DOE, Ames Lab, Ames, IA 50011 USA.
[Hagemann, Ulrich] Univ Duisburg Essen, NETZ, ICAN, Carl Benz Str 199, D-47047 Duisburg, Germany.
[Maculewicz, Franziska; Schierning, Gabi] Univ Duisburg Essen, Fac Engn, Bismarckstr 81, DE-47057 Duisburg, Germany.
[Maculewicz, Franziska; Schierning, Gabi] Univ Duisburg Essen, Ctr NanoIntegrat CENIDE, Bismarckstr 81, DE-47057 Duisburg, Germany.
[Schierning, Gabi] IFW Dresden, Inst Metall Mat, POB 270116, D-01171 Dresden, Germany.
RP Mudring, A (reprint author), Ruhr Univ Bochum, Inorgan Chem Mat Synth & Characterizat 3, DE-44801 Bochum, Germany.; Schulz, S (reprint author), Univ Duisburg Essen, Fac Chem, DE-45117 Essen, Germany.; Schulz, S (reprint author), Univ Duisburg Essen, Ctr NanoIntegrat CENIDE, DE-45117 Essen, Germany.; Mudring, A (reprint author), Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.; Mudring, A (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA.; Schierning, G (reprint author), Univ Duisburg Essen, Fac Engn, Bismarckstr 81, DE-47057 Duisburg, Germany.; Schierning, G (reprint author), Univ Duisburg Essen, Ctr NanoIntegrat CENIDE, Bismarckstr 81, DE-47057 Duisburg, Germany.; Schierning, G (reprint author), IFW Dresden, Inst Metall Mat, POB 270116, D-01171 Dresden, Germany.
EM mudring@iastate.edu; stephan.schulz@uni-due.de;
g.schierning@ifw-dresden.de
FU Deutsche Forschungsgemeinschaft DFG [SPP 1708]
FX S. Schulz and G. Schierning gratefully acknowledge financial support by
the Deutsche Forschungsgemeinschaft DFG within the priority program SPP
1708. The authors like to thank M. Sc. Georg Bendt (Faculty of
Chemistry, University of Duisburg-Essen) for Rietveld refinements of
selected samples.
NR 81
TC 1
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U1 8
U2 8
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
EI 1477-9234
J9 DALTON T
JI Dalton Trans.
PY 2017
VL 46
IS 3
BP 656
EP 668
DI 10.1039/c6dt04323b
PG 13
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA EK5PW
UT WOS:000393979300008
PM 28091643
ER
PT J
AU Liu, SJ
Hu, W
Nath, JK
Tong, J
Hou, XD
Liu, WL
Yang, JL
Liu, B
AF Liu, Shengjun
Hu, Wei
Nath, Jayanta Kr.
Tong, Jing
Hou, Xudong
Liu, Wenlong
Yang, Jinlong
Liu, Bo
TI [Ti12In6O18(OOCC6H5)(30)]: a multifunctional hetero-polyoxotitanate
nanocluster with high stability and visible photoactivity
SO DALTON TRANSACTIONS
LA English
DT Article
ID LIGHT IRRADIATION; PHOTOCATALYTIC ACTIVITY; METHYL-ORANGE; CO2
REDUCTION; TIO2; SEMICONDUCTOR; DEGRADATION; WATER; CLUSTERS; DYES
AB We present a novel strategy to improve the stability and optical absorption of polyoxotitanates (POTs) via concurrently fully carboxylate-coordinating and hetero-metal-doping, and illustrate the strategy by an indium doped hetero-polyoxotitanate (h-POT) of a [Ti12In6O18(OOCC6H5)(30)] (POTi12In6) nanocluster, which possesses ultrahigh stability in both acid and base aqueous solutions. The nanocluster structurally features a core-shell double wheel structure and a polar cavity. Both experiments and theoretical calculations confirm the semiconductive properties of the nanocluster. Under visible irradiation the POTi12In6 nanocluster can produce pronounced photocurrent, and reactive oxygen species for pollutant degradation. Without using any cocatalyst, POTi12In6 exhibits important visible-light-driven photocatalytic activity for H-2 evolution in an aqueous system. This work could render a polyoxotitanate as a new type of visible-photoactive photocatalyst.
C1 [Liu, Shengjun; Nath, Jayanta Kr.; Tong, Jing; Hou, Xudong; Liu, Bo] Univ Sci & Technol China, Dept Chem, Hefei 230026, Anhui, Peoples R China.
[Hu, Wei] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
[Hu, Wei; Yang, Jinlong] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China.
[Liu, Wenlong] Yangzhou Univ, Coll Chem & Chem Engn, Yangzhou 225002, Jiangsu, Peoples R China.
RP Liu, B (reprint author), Univ Sci & Technol China, Dept Chem, Hefei 230026, Anhui, Peoples R China.; Yang, JL (reprint author), Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China.
EM jlyang@ustc.edu.cn; liuchem@ustc.edu.cn
OI Hu, Wei/0000-0001-9629-2121
FU National Natural Science Foundation of China (NSFC) [21571167,
51502282]; Chinese Academy of Sciences; Fundamental Research Funds for
the Central Universities [WK2060190053]; Anhui Province Natural Science
Foundation [1608085MB28]
FX We gratefully acknowledge financial support from the National Natural
Science Foundation of China (NSFC, 21571167, 51502282), Chinese Academy
of Sciences, and the Fundamental Research Funds for the Central
Universities (WK2060190053), and the Anhui Province Natural Science
Foundation (1608085MB28).
NR 52
TC 0
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U1 7
U2 7
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
EI 1477-9234
J9 DALTON T
JI Dalton Trans.
PY 2017
VL 46
IS 3
BP 678
EP 684
DI 10.1039/c6dt04261a
PG 7
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA EK5PW
UT WOS:000393979300010
PM 27891542
ER
PT J
AU King, G
Thompson, CM
Luo, K
Greedan, JE
Hayward, MA
AF King, Graham
Thompson, Corey M.
Luo, Kun
Greedan, John E.
Hayward, Michael A.
TI Identifying the local structural units in La0.5Ba0.5MnO2.5 and
BaY0.25Fe0.75O2.5 through the neutron pair distribution function
SO DALTON TRANSACTIONS
LA English
DT Article
ID AVERAGE STRUCTURES; DEFICIENT PEROVSKITES; MAGNETIC-PROPERTIES; CATION
ORDER; SITE CATION; SR2FE1.5CR0.5O5; SR2FEMNO5+Y; CRYSTAL; VACANCY; Y=0
AB Neutron pair distribution function data are used to investigate the local structures of two oxygen deficient perovskites with simple cubic crystal structures. La0.5Ba0.5MnO2.5 is found to have alternating layers of MnO6 octahedra and MnO4 tetrahedra, making it similar to other members of the La1-xBaxMnO2.5 series with smaller x values which have brownmillerite crystal structures. Our fitting results suggest that La0.5Ba0.5MnO2.5 is not locally similar to any one brownmillerite structure type but instead has a variety of intra-layer and inter-layer relationships. We propose that this could be due to short range segregation of the much differently sized La3+ and Ba2+ cations, which creates significantly different inter-layer distances. BaY0.25Fe0.75O2.5 is found not to have a brownmillerite-type local structure but rather seems to consist of structural units which are similar to Ba3YFe2O7.5, an earlier member of the BanYFen-1O2.5n series. The PDF analysis shows that there are never neighboring Y atoms and that the O vacancies lie exclusively between Fe atoms, such that Y is always octahedrally coordinated. The PDF also suggests that there are more tetrahedral Fe than expected, which could be due to the presence of terminal O atoms in Fe centered dimeric units, similar to what is found in Ba3YFe2O7.5.
C1 [King, Graham] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
[Thompson, Corey M.] Purdue Univ, Dept Chem, 560 Oval Dr, W Lafayette, IN 47907 USA.
[Thompson, Corey M.; Greedan, John E.] McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada.
[Thompson, Corey M.; Greedan, John E.] McMaster Univ, Brockhouse Inst Mat Res, Hamilton, ON L8S 4M1, Canada.
[Luo, Kun; Hayward, Michael A.] Univ Oxford, Dept Chem, Inorgan Chem Lab, South Pk Rd, Oxford OX1 3QR, England.
RP King, G (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
EM gmkchemist@gmail.com
FU DOE Office of Basic Energy Sciences; DOE [DE-AC52-06NA25396]
FX This work has benefited from the use of NPDF at the Lujan Center at Los
Alamos Neutron Science Center, funded by DOE Office of Basic Energy
Sciences. Los Alamos National Laboratory is operated by Los Alamos
National Security LLC under DOE Contract DE-AC52-06NA25396.
NR 17
TC 0
Z9 0
U1 1
U2 1
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
EI 1477-9234
J9 DALTON T
JI Dalton Trans.
PY 2017
VL 46
IS 4
BP 1145
EP 1152
DI 10.1039/c6dt04291k
PG 8
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA EM5SN
UT WOS:000395373200014
PM 28054073
ER
PT J
AU Jurca, T
Peters, AW
Mouat, AR
Farha, OK
Hupp, JT
Lohr, TL
Delferro, M
Marks, TJ
AF Jurca, T.
Peters, A. W.
Mouat, A. R.
Farha, O. K.
Hupp, J. T.
Lohr, T. L.
Delferro, M.
Marks, T. J.
TI Second-generation hexavalent molybdenum oxo-amidinate precursors for
atomic layer deposition
SO DALTON TRANSACTIONS
LA English
DT Article
ID METAL-ORGANIC FRAMEWORK; OXIDE CATALYSTS; THIN-FILMS; OLEFIN METATHESIS;
CRYSTAL-STRUCTURE; REACTIVITY; OZONE; GENERATION; COMPLEXES; VOLATILE
AB The synthesis of molybdenum oxo-amidinate complexes MoO2(R(2)AMD)(2) [AMD = N, N'-di-R-acetamidinate; R = Cy (2; cyclohexyl) and Pr-i (3)], and their characterization by H-1, C-13 NMR, X-ray diffraction, and thermogravimetric analysis is reported. Quartz-crystal microbalance and X-ray photoelectron spectroscopic studies confirm that 3 is an improved ALD precursor versus the R = t-butyl derivative for MoO3 film growth. Complex 3 is accessible in higher yields (80%+), is easier to handle without mass loss, and in conjunction with O-3 as the second ALD reagent, yields nitride-free MoO3 films.
C1 [Jurca, T.; Peters, A. W.; Mouat, A. R.; Farha, O. K.; Hupp, J. T.; Lohr, T. L.; Delferro, M.; Marks, T. J.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
[Delferro, M.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Farha, O. K.] King Abdulaziz Univ, Fac Sci, Dept Chem, Jeddah 21589, Saudi Arabia.
RP Delferro, M; Marks, TJ (reprint author), Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.; Delferro, M (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
EM delferro@anl.gov; t-marks@northwestern.edu
FU Department of Defense (DoD) through the National Defense Science &
Engineering Graduate Fellowship (NDSEG) Program; Chemical Sciences,
Geosciences, and Biosciences Division, U.S. Department of Energy [DE
FG02-03ER15457]
FX A. W. P. acknowledges support from the Department of Defense (DoD)
through the National Defense Science & Engineering Graduate Fellowship
(NDSEG) Program. W. Huang and Dr A. Henning at Northwestern University
are acknowledged for help with film characterization.; Research was
supported by the Chemical Sciences, Geosciences, and Biosciences
Division, U.S. Department of Energy through a grant DE FG02-03ER15457 to
the Institute of Catalysis in Energy Processes (ICEP) at Northwestern
University.
NR 51
TC 0
Z9 0
U1 4
U2 4
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
EI 1477-9234
J9 DALTON T
JI Dalton Trans.
PY 2017
VL 46
IS 4
BP 1172
EP 1178
DI 10.1039/c6dt03952a
PG 7
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA EM5SN
UT WOS:000395373200017
PM 28054070
ER
PT J
AU Braatz, AD
Antonio, MR
Nilsson, M
AF Braatz, Alexander D.
Antonio, Mark R.
Nilsson, Mikael
TI Structural study of complexes formed by acidic and neutral
organophosphorus reagents
SO DALTON TRANSACTIONS
LA English
DT Article
ID BUTYL PHOSPHATE TBP; SOLVENT-EXTRACTION; TRIBUTYL-PHOSPHATE; TRIVALENT
LANTHANIDE; SYNERGIC EXTRACTION; SPECTROSCOPY; NITRATES; ACTINIDE;
SYSTEM; EXAFS
AB The coordination of the trivalent 4f ions, Ln = La3+, Dy3+, and Lu3+, with neutral and acidic organophosphorus reagents, both individually and combined, was studied by use of X-ray absorption spectroscopy. These studies provide metrical information about the interatomic interactions between these cations and the ligands tri-n-butyl phosphate (TBP) and di-n-butyl phosphoric acid (HDBP), whose behavior are of practical importance to chemical separation processes that are currently used on an industrial scale. Previous studies have suggested the existence of complexes involving a mixture of ligands, accounting for extraction synergy. Through systematic variation of the aqueous phase acidity and extractant concentration and combination, we have found that complexes with Ln and TBP : HDBP at any mixture and HDBP alone involve direct Ln-O interactions involving 6 oxygen atoms and distant Ln-P interactions involving on average 3-5 phosphorus atoms per Ln ion. It was also found that Ln complexes formed by TBP alone seem to favor eight oxygen coordination, though we were unable to obtain metrical results regarding the distant Ln-P interactions due to the low signal attributed to a lower concentration of Ln ions in the organic phases. Our study does not support the existence of mixed Ln-TBP-HDBP complexes but, rather, indicates that the lanthanides are extracted as either Ln-HDBP complexes or Ln-TBP complexes and that these complexes exist in different ratios depending on the conditions of the extraction system. This fundamental structural information offers insight into the solvent extraction processes that are taking place and are of particular importance to issues arising from the separation and disposal of radioactive materials from used nuclear fuel.
C1 [Braatz, Alexander D.; Nilsson, Mikael] Univ Calif Irvine, Dept Chem Engn & Mat Sci, 916 Engn Tower, Irvine, CA 92697 USA.
[Braatz, Alexander D.] Oak Ridge Natl Lab, Nucl Secur & Isotope Technol Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
[Antonio, Mark R.] Argonne Natl Lab, Chem Sci & Engn Div, 9700 South Cass Ave, Argonne, IL 60439 USA.
[Nilsson, Mikael] Univ Calif Irvine, Dept Chem, 1102 Nat Sci 2, Irvine, CA 92697 USA.
RP Nilsson, M (reprint author), Univ Calif Irvine, Dept Chem Engn & Mat Sci, 916 Engn Tower, Irvine, CA 92697 USA.; Antonio, MR (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 South Cass Ave, Argonne, IL 60439 USA.; Nilsson, M (reprint author), Univ Calif Irvine, Dept Chem, 1102 Nat Sci 2, Irvine, CA 92697 USA.
EM mantonio@anl.gov; nilssonm@uci.edu
FU U.S. Department of Energy through the Nuclear Energy University Program,
NEUP [120569, DE-NE0000156]; U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, Division of Chemical Sciences,
Biosciences and Geosciences [DE-AC02-06CH11357]
FX The authors thank the U.S. Department of Energy through the Nuclear
Energy University Program, NEUP Contract No. 120569 and DE-NE0000156 for
financial support for the experiments and the HPGE detector,
respectively. The work at Argonne and the use of the Advanced Photon
Source are supported by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, Division of Chemical Sciences,
Biosciences and Geosciences, under contract No. DE-AC02-06CH11357. The
authors thank the UC Irvine TRIGA (R) Reactor Facility for use of the
reactor for neutron activation analysis and Drs Benjamin J. Reinhart and
Sungsik Lee for assistance at 12-BM-B.
NR 60
TC 0
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U1 1
U2 1
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
EI 1477-9234
J9 DALTON T
JI Dalton Trans.
PY 2017
VL 46
IS 4
BP 1194
EP 1206
DI 10.1039/c6dt04305d
PG 13
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA EM5SN
UT WOS:000395373200020
PM 28054676
ER
PT J
AU Irvine, PJ
Kravitz, B
Lawrence, MG
Gerten, D
Caminade, C
Gosling, SN
Hendy, EJ
Kassie, BT
Kissling, WD
Muri, H
Oschlies, A
Smith, SJ
AF Irvine, Peter J.
Kravitz, Ben
Lawrence, Mark G.
Gerten, Dieter
Caminade, Cyril
Gosling, Simon N.
Hendy, Erica J.
Kassie, Belay T.
Kissling, W. Daniel
Muri, Helene
Oschlies, Andreas
Smith, Steven J.
TI Towards a comprehensive climate impacts assessment of solar
geoengineering
SO EARTHS FUTURE
LA English
DT Article
DE climate impacts; climate change; geoengineering; climate engineering;
solar radiation management; ISI-MIP
ID INTERCOMPARISON PROJECT GEOMIP; SEA-LEVEL RISE; RADIATION MANAGEMENT;
STRATOSPHERIC AEROSOLS; IRRADIANCE REDUCTION; OCEAN ACIDIFICATION;
EXTREMES INDEXES; ICE-SHEET; MODEL; CARBON
AB Despite a growing literature on the climate response to solar geoengineeringproposals to cool the planet by increasing the planetary albedothere has been little published on the impacts of solar geoengineering on natural and human systems such as agriculture, health, water resources, and ecosystems. An understanding of the impacts of different scenarios of solar geoengineering deployment will be crucial for informing decisions on whether and how to deploy it. Here we review the current state of knowledge about impacts of a solar-geoengineered climate and identify the major research gaps. We suggest that a thorough assessment of the climate impacts of a range of scenarios of solar geoengineering deployment is needed and can be built upon existing frameworks. However, solar geoengineering poses a novel challenge for climate impacts research as the manner of deployment could be tailored to pursue different objectives making possible a wide range of climate outcomes. We present a number of ideas for approaches to extend the survey of climate impacts beyond standard scenarios of solar geoengineering deployment to address this challenge. Reducing the impacts of climate change is the fundamental motivator for emissions reductions and for considering whether and how to deploy solar geoengineering. This means that the active engagement of the climate impacts research community will be important for improving the overall understanding of the opportunities, challenges, and risks presented by solar geoengineering.
C1 [Irvine, Peter J.; Lawrence, Mark G.] Inst Adv Sustainabil Studies, Potsdam, Germany.
[Irvine, Peter J.] Harvard Univ, John A Paulson Sch Engn & Appl Sci, Cambridge, MA 02138 USA.
[Kravitz, Ben] Pacific Northwest Natl Lab, Atmospher Sci & Global Change Div, Richland, WA USA.
[Gerten, Dieter] Potsdam Inst Climate Impact Res, Res Domain Earth Syst Anal, Potsdam, Germany.
[Gerten, Dieter] Humboldt Univ, Dept Geog, Berlin, Germany.
[Caminade, Cyril] Univ Liverpool, Inst Infect & Global Hlth, Liverpool, Merseyside, England.
[Gosling, Simon N.] Univ Nottingham, Sch Geog, Nottingham, England.
[Hendy, Erica J.] Univ Bristol, Sch Earth Sci, Bristol, Avon, England.
[Kassie, Belay T.] Univ Florida, Dept Agr & Biol Engn, Gainesville, FL USA.
[Kissling, W. Daniel] Univ Amsterdam, Inst Biodivers & Ecosyst Dynam, Amsterdam, Netherlands.
[Muri, Helene] Univ Oslo, Dept Geosci, Oslo, Norway.
[Oschlies, Andreas] GEOMAR Helmholtz Ctr Ocean Res Kiel, Kiel, Germany.
[Smith, Steven J.] Pacific Northwest Natl Lab, Joint Global Change Res Inst, College Pk, MD USA.
RP Irvine, PJ (reprint author), Inst Adv Sustainabil Studies, Potsdam, Germany.; Irvine, PJ (reprint author), Harvard Univ, John A Paulson Sch Engn & Appl Sci, Cambridge, MA 02138 USA.
EM peter_irvine@g.harvard.edu
OI Gosling, Simon/0000-0001-5973-6862
FU German Federal Ministry for Education and Research (BMBF); Brandenburg
State Ministry for Science, Research and Art (MWFK); U.S. Department of
Energy by Battelle Memorial Institute [DE-AC05-76RL01830]; Farr
Institute for Health Informatics Research (MRC grant) [MR/M0501633/1];
Norwegian Research Council [229760/E10, 261862/E10]; DFG [SPP 1689]
FX This article was developed from discussions at a workshop hosted by the
Institute for Advanced Sustainability Studies in Potsdam on the 9th and
10th of March 2015. All authors were participants at this workshop. We
acknowledge the input of Sonia Seneviratne and Robert Vautard, and two
journal reviewers for their useful comments to earlier drafts of this
article. The authors would like to thank Sabine Zentek for help with the
design of Figures 1 and 2. The Institute for Advanced Sustainability
Studies is funded by the German Federal Ministry for Education and
Research (BMBF) and Brandenburg State Ministry for Science, Research and
Art (MWFK). The Pacific Northwest National Laboratory is operated for
the U.S. Department of Energy by Battelle Memorial Institute under
contract DE-AC05-76RL01830. W.D.K. acknowledges a University of
Amsterdam starting grant. C.C. acknowledges support by The Farr
Institute for Health Informatics Research (MRC grant: MR/M0501633/1).
H.M. was supported by the Norwegian Research Council grant no.
229760/E10 and 261862/E10. A.O. acknowledges support from the DFG via
SPP 1689. The data used are listed in the references, supplements and
are available on the Earth system grid federation repository, under the
CMIP5 and GeoMIP projects at http://esgf.llnl.gov/.
NR 124
TC 0
Z9 0
U1 10
U2 10
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 2328-4277
J9 EARTHS FUTURE
JI Earth Future
PD JAN
PY 2017
VL 5
IS 1
BP 93
EP 106
DI 10.1002/2016EF000389
PG 14
WC Environmental Sciences; Geosciences, Multidisciplinary; Meteorology &
Atmospheric Sciences
SC Environmental Sciences & Ecology; Geology; Meteorology & Atmospheric
Sciences
GA EM0IK
UT WOS:000395001800009
ER
PT J
AU Kogo, G
Pradhan, AK
Roy, UN
AF Kogo, Gilbert
Pradhan, Aswini K.
Roy, Utpal N.
TI Thermoelectric Behavior of PbSe Single Crystals
SO ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY
LA English
DT Article
ID P-TYPE PBSE; PERFORMANCE
AB The electrical conductivity and Seebeck coefficient of PbSe single crystals grown by the Bridgman technique display metallic behavior. The Seebeck coefficient increases linearly with increasing temperature and showed positive Seebeck values, typically valid for a p-type PbSe crystal. The electronic thermal conductivity decreases with increase in temperature. The power factor increases gradually with temperature until the maximum value of 6.51 x 10(-3) W/mK(2) at 260 K, other values are 5.95 x 10(-3) W/mK(2) at 300 K, and 5.40 x 10(-3) W/mK(2) at 320 K. Our results demonstrate that as-grown PbSe crystal is generically p-type due to excess in Pb and can be a potential candidate for thermoelectric power generation. (C) The Author(s) 2016. Published by ECS.
C1 [Kogo, Gilbert; Pradhan, Aswini K.] Norfolk State Univ, Dept Engn, Norfolk, VA 23504 USA.
[Kogo, Gilbert; Pradhan, Aswini K.] Norfolk State Univ, Ctr Mat Res, Norfolk, VA 23504 USA.
[Roy, Utpal N.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Pradhan, AK (reprint author), Norfolk State Univ, Dept Engn, Norfolk, VA 23504 USA.; Pradhan, AK (reprint author), Norfolk State Univ, Ctr Mat Res, Norfolk, VA 23504 USA.
EM apradhan@nsu.edu
FU National Science Foundation Centers of Research Excellence in Science
and Technology (NSF-CREST) [HRD 1036494, 1547771]
FX This work was supported by the National Science Foundation Centers of
Research Excellence in Science and Technology (NSF-CREST) grant Number
HRD 1036494 and 1547771. We thank Donley Carrie Lynn for the help with
XPS images. Authors thankful to Jonathan Skuza, Sangram Pradhan and
Rajeh Mundle for experimental help and discussion.
NR 24
TC 0
Z9 0
U1 0
U2 0
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 2017
VL 6
IS 3
BP N3006
EP N3009
DI 10.1149/2.0021703jss
PG 4
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA EK5SU
UT WOS:000393987000009
ER
PT J
AU Kaplar, RJ
Allerman, AA
Armstrong, AM
Crawford, MH
Dickerson, JR
Fischer, AJ
Baca, AG
Douglas, EA
AF Kaplar, R. J.
Allerman, A. A.
Armstrong, A. M.
Crawford, M. H.
Dickerson, J. R.
Fischer, A. J.
Baca, A. G.
Douglas, E. A.
TI Review-Ultra-Wide-Bandgap AlGaN Power Electronic Devices
SO ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY
LA English
DT Review
ID MOBILITY TRANSISTORS; SUBSTRATE; HEMTS; GAN; PASSIVATION; DIODES
AB "Ultra" wide-bandgap semiconductors are an emerging class of materials with bandgaps greater than that of gallium nitride (E-G > 3.4 eV) that may ultimately benefit a wide range of applications, including switching power conversion, pulsed power, RF electronics, UV optoelectronics, and quantum information. This paper describes the progress made to date at Sandia National Laboratories to develop one of these materials, aluminum gallium nitride, targeted toward high-power devices. The advantageous material properties of AlGaN are reviewed, questions concerning epitaxial growth and defect physics are covered, and the processing and performance of vertical-and lateral-geometry devices are described. The paper concludes with an assessment of the outlook for AlGaN, including outstanding research opportunities and a brief discussion of other potential applications. (C) The Author(s) 2016. Published by ECS.
C1 [Kaplar, R. J.; Allerman, A. A.; Armstrong, A. M.; Crawford, M. H.; Dickerson, J. R.; Fischer, A. J.; Baca, A. G.; Douglas, E. A.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Kaplar, RJ (reprint author), Sandia Natl Labs, Albuquerque, NM 87185 USA.
EM rjkapla@sandia.gov
FU Laboratory Directed Research and Development (LDRD) program at Sandia;
U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX The authors thank C. A. Sanchez and K. Cross for device fabrication and
M. van Heukelom of Sandia for extensive device characterization. This
work was supported by the Laboratory Directed Research and Development
(LDRD) program at Sandia. 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 39
TC 0
Z9 0
U1 3
U2 3
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 2017
VL 6
IS 2
BP Q3061
EP Q3066
DI 10.1149/2.0111702jss
PG 6
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA EK5SK
UT WOS:000393985900010
ER
PT J
AU Zhao, J
Malliakas, CD
Wijayaratne, K
Karlapati, V
Appathurai, N
Chung, DY
Rosenkranz, S
Kanatzidis, MG
Chatterjee, U
AF Zhao, J.
Malliakas, C. D.
Wijayaratne, K.
Karlapati, V.
Appathurai, N.
Chung, D. Y.
Rosenkranz, S.
Kanatzidis, M. G.
Chatterjee, U.
TI Spectroscopic evidence for temperature- dependent convergence of light-
and heavy-hole valence bands of PbQ (Q = Te, Se, S)
SO EPL
LA English
DT Article
ID TOPOLOGICAL CRYSTALLINE INSULATOR; NANOSTRUCTURED THERMOELECTRICS; LEAD
CHALCOGENIDES; ENERGY GAPS; PBTE; TELLURIDE; STATES; SNTE
AB We have conducted a temperature- dependent angle-resolved photoemission spectroscopy (ARPES) study of the electronic structures of PbTe, PbSe and PbS. Our ARPES data provide direct evidence for the light-hole upper valence bands (UVBs) and hitherto undetected heavy-hole lower valence bands (LVBs) in these materials. An unusual temperature-dependent relative movement between these bands leads to a monotonic decrease in the energy separation between their maxima with increasing temperature, which is known as band convergence and has long been believed to be the driving factor behind extraordinary thermoelectric performances of these compounds at elevated temperatures. Copyright (C) EPLA, 2017
C1 [Zhao, J.; Wijayaratne, K.; Karlapati, V.; Appathurai, N.; Chatterjee, U.] Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA.
[Malliakas, C. D.; Kanatzidis, M. G.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
[Malliakas, C. D.; Chung, D. Y.; Rosenkranz, S.; Kanatzidis, M. G.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Zhao, J (reprint author), Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA.
RI Rosenkranz, Stephan/E-4672-2011
OI Rosenkranz, Stephan/0000-0002-5659-0383
FU National Science Foundation [DMR-1454304]; Jefferson Trust at the
University of Virginia; U.S. Department of Energy, Office of Basic
Energy Sciences, Division of Materials Science and Engineering
FX UC acknowledges support from the National Science Foundation under Grant
No. DMR-1454304 and from the Jefferson Trust at the University of
Virginia. Work at Argonne National Laboratory (CDM, DYC, SR, MGK) was
supported by the U.S. Department of Energy, Office of Basic Energy
Sciences, Division of Materials Science and Engineering.
NR 36
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U1 4
U2 4
PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY
PI MULHOUSE
PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE
SN 0295-5075
EI 1286-4854
J9 EPL-EUROPHYS LETT
JI EPL
PD JAN
PY 2017
VL 117
IS 2
AR 27006
DI 10.1209/0295-5075/117/27006
PG 6
WC Physics, Multidisciplinary
SC Physics
GA EO9RS
UT WOS:000397026400016
ER
PT J
AU Prajapati, MV
Adebolu, OO
Morrow, BM
Cerreta, JM
AF Prajapati, Milankumar V.
Adebolu, Olujoba O.
Morrow, Benjamin M.
Cerreta, Joseph M.
TI Evaluation of pulmonary response to inhaled tungsten (IV) oxide
nanoparticles in golden Syrian hamsters
SO EXPERIMENTAL BIOLOGY AND MEDICINE
LA English
DT Article
DE Tungsten oxide; inhalation; nanoparticles; inflammasome
ID AERUGINOSA-INDUCED PNEUMONIA; ALVEOLAR EPITHELIAL-CELLS; INHALATION
EXPOSURE; CARBON NANOTUBES; NLRP3 INFLAMMASOME; OXIDATIVE STRESS; ATSDR
EVALUATION; CIGARETTE-SMOKE; ROS PRODUCTION; LONG-TERM
AB Extensive industrial and military uses of tungsten have raised the possibilities of human occupational and environmental exposure to nanoparticles of this metal, with concomitant health concerns. The goal of this study was to investigate the potential mechanism of pulmonary toxicity associated with inhaled tungsten (IV) oxide nanoparticles (WO3 NPs) in Golden Syrian Hamsters. Animals exposed to WO3 NPs via inhalation were divided into three groups - control and two treatment groups exposed to either 5 or 10 mg/m(3) of aerosolized WO3 NPs for 4 h/day for four days. A long-term exposure study (4 h/day for eight days) was also carried out using an additional three groups. Pulmonary toxicity assessed by examining changes in cell numbers, lactate dehydrogenase activity, alkaline phosphatase activity, total protein content, TNF-alpha, and HMGB1 levels in bronchoalveolar lavage fluids showed a significant difference when compared to control (P < 0.05). The molecular mechanism was established by assessing protein expression of cathepsin B, TXNIP, NLRP3, ASC, IL-1 beta and caspase-1. Western blot analysis indicated a 1.5 and 1.7 fold changes in NLRP3 in treatment groups (5 mg/m(3), P < 0.05 and 10 mg/m(3), P < 0.01, respectively), whereas levels of cathepsin B were 1.3 fold higher in lung tissue exposed to WO3 NPs suggesting activation of inflammasome pathway. Morphological changes studied using light and electron microscopy showed localization of nanoparticles and subsequent perturbation in airway epithelia, macrophages, and interstitial areas of alveolar structures. Results from the current study indicate that inhalation exposure to WO3 NPs may induce cytotoxicity, morphological changes, and lung injury via pyroptotic cell death pathway caused by activation of caspase-1.
C1 [Prajapati, Milankumar V.; Adebolu, Olujoba O.; Cerreta, Joseph M.] St Johns Univ, Coll Pharm & Hlth Sci, Queens, NY 11439 USA.
[Morrow, Benjamin M.] Los Alamos Natl Lab, Mat Sci & Technol, Los Alamos, NM 87545 USA.
RP Cerreta, JM (reprint author), St Johns Univ, Coll Pharm & Hlth Sci, Queens, NY 11439 USA.
EM cerretaj@stjohns.edu
OI Prajapati, Milankumar/0000-0003-3399-3697
FU St. John's University, Queens, NY
FX The research was funded by St. John's University, Queens, NY.
NR 79
TC 0
Z9 0
U1 0
U2 0
PU SAGE PUBLICATIONS LTD
PI LONDON
PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND
SN 1535-3702
EI 1535-3699
J9 EXP BIOL MED
JI Exp. Biol. Med.
PD JAN
PY 2017
VL 242
IS 1
BP 29
EP 44
DI 10.1177/1535370216665173
PG 16
WC Medicine, Research & Experimental
SC Research & Experimental Medicine
GA EK9SA
UT WOS:000394263000004
PM 27534980
ER
PT J
AU Bailey, DH
AF Bailey, David H.
TI Jonathan Borwein: Experimental Mathematician
SO EXPERIMENTAL MATHEMATICS
LA English
DT Biographical-Item
DE continued fractions; high-precision computation; integer relation
detection; Ising theory; Poisson equation
AB This article briefly summarizes the extraordinary career of Jonathan Borwein, with a focus on his contributions to the field of experimental mathematics.
C1 [Bailey, David H.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Bailey, David H.] Univ Calif Davis, Dept Comp Sci, Davis, CA 95616 USA.
RP Bailey, DH (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM david@davidhbailey.com
NR 0
TC 0
Z9 0
U1 0
U2 0
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 1058-6458
EI 1944-950X
J9 EXP MATH
JI Exp. Math.
PY 2017
VL 26
IS 2
BP 125
EP 129
DI 10.1080/10586458.2017.1284625
PG 5
WC Mathematics
SC Mathematics
GA EO6DR
UT WOS:000396782600001
ER
PT J
AU Campbell, JC
VanSchouwen, B
Lorenz, R
Sankaran, B
Herberg, FW
Melacini, G
Kim, C
AF Campbell, James C.
VanSchouwen, Bryan
Lorenz, Robin
Sankaran, Banumathi
Herberg, Friedrich W.
Melacini, Giuseppe
Kim, Choel
TI Crystal structure of cGMP-dependent protein kinase I beta cyclic
nucleotide-binding-B domain : Rp-cGMPS complex reveals an apo-like,
inactive conformation
SO FEBS LETTERS
LA English
DT Article
DE cGMP-dependent protein kinase; kinase inhibition; NO-cGMP signaling;
second messengers
ID KINETIC/AFFINITY INTERACTION CONSTANTS; DIFFUSION-COEFFICIENTS;
SELECTIVE ACTIVATION; CAMP; MECHANISM; AGONISM; ANALOGS; PKA
AB The R-diastereomer of phosphorothioate analogs of cGMP, Rp-cGMPS, is one of few known inhibitors of cGMP-dependent protein kinase I (PKG I); however, its mechanism of inhibition is currently not fully understood. Here, we determined the crystal structure of the PKG Ib cyclic nucleotide-binding domain (PKG Ib CNB-B), considered a 'gatekeeper' for cGMP activation, bound to Rp-cGMPS at 1.3 angstrom. Our structural and NMR data show that PKG Ib CNB-B bound to Rp-cGMPS displays an apo-like structure with its helical domain in an open conformation. Comparison with the cAMP-dependent protein kinase regulatory subunit (PKA RI alpha) showed that this conformation resembles the catalytic subunit-bound inhibited state of PKA RIa more closely than the apo or Rp-cAMPS-bound conformations. These results suggest that Rp-cGMPS inhibits PKG I by stabilizing the inactive conformation of CNB-B.
C1 [Campbell, James C.; Kim, Choel] Baylor Coll Med, Struct & Computat Biol & Mol Biophys Program, Houston, TX 77030 USA.
[Campbell, James C.; Kim, Choel] Baylor Coll Med, Dept Pharmacol, Houston, TX 77030 USA.
[VanSchouwen, Bryan; Melacini, Giuseppe] McMaster Univ, Dept Chem & Chem Biol, Hamilton, ON, Canada.
[Lorenz, Robin; Herberg, Friedrich W.] Univ Kassel, Dept Biochem, Kassel, Hesse, Germany.
[Sankaran, Banumathi] Lawrence Berkeley Natl Lab, Berkeley Ctr Struct Biol, Berkeley, CA USA.
[Kim, Choel] Baylor Coll Med, Verna & Marrs McLean Dept Biochem & Mol Biol, Houston, TX 77030 USA.
RP Kim, C (reprint author), Baylor Coll Med, Dept Pharmacol, Houston, TX 77030 USA.
EM ckim@bcm.edu
FU National Institutes of Health (NIH) [R01 GM090161]; Canadian Institutes
of Health Research [MOP-68897]; Natural Sciences and Engineering
Research Council of Canada [RGPIN-201404514]; Federal Ministry of
Education and Research [0316177F No Pain]; German Research Foundation
[He 1818/10]; Training Program in Pharmacological Sciences fellowship;
National Institute of General Medical Science [32GM089657-04]; NIH;
National Institute of General Medical Sciences; Howard Hughes Medical
Institute; Office of Science, Office of Basic Energy Sciences, of the
U.S. Department of Energy [DE-AC02-05CH11231]
FX We thank Darren E. Casteel and Kim laboratory members for critical
reading of the manuscript and Jason Davenport and Aaron Martin (SensiQ
Technologies) for the technical support with SPR. C.K. is funded by
National Institutes of Health (NIH) grant R01 GM090161. G.M. is
supported by Canadian Institutes of Health Research (grant number:
MOP-68897 http://www.cihr-irsc.gc.ca/e/193.html) and Natural Sciences
and Engineering Research Council of Canada (grant number:
RGPIN-201404514 http://www.nserc-crsng.gc.ca/index_eng.asp). F.W.H is
supported by the Federal Ministry of Education and Research, fund number
0316177F No Pain and the German Research Foundation grant He 1818/10.
J.C.C is supported by the Training Program in Pharmacological Sciences
fellowship, National Institute of General Medical Science grant no.
32GM089657-04. The Berkeley Center for Structural Biology is supported
in part by the NIH, the National Institute of General Medical Sciences,
and the Howard Hughes Medical Institute. 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. The SPR experiments were performed in the Drug
Discovery Core in the Center for Drug Discovery at Baylor College of
Medicine.
NR 32
TC 0
Z9 0
U1 0
U2 0
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0014-5793
EI 1873-3468
J9 FEBS LETT
JI FEBS Lett.
PD JAN
PY 2017
VL 591
IS 1
BP 221
EP 230
DI 10.1002/1873-3468.12505
PG 10
WC Biochemistry & Molecular Biology; Biophysics; Cell Biology
SC Biochemistry & Molecular Biology; Biophysics; Cell Biology
GA EK5HL
UT WOS:000393957400024
PM 27914169
ER
PT J
AU Sandoval, L
Perez, D
Uberuaga, BP
Voter, AF
AF Sandoval, Luis
Perez, Danny
Uberuaga, Blas P.
Voter, Arthur F.
TI Growth Rate Effects on the Formation of Dislocation Loops Around Deep
Helium Bubbles in Tungsten
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article
DE Helium bubbles; dislocation loop punching; parallel replica dynamics
ID DYNAMICS
AB The growth process of spherical helium bubbles located 6 nm below a (100) surface is studied using molecular dynamics and parallel replica dynamics simulations, over growth rates from 10(6) to 10(12) helium atoms per second. Slower growth rates lead to a release of pressure and lower helium content as compared with fast growth cases. In addition, at slower growth rates, helium bubbles are not decorated by multiple dislocation loops, as these tend to merge or emit given sufficient time. At faster rates, dislocation loops nucleate faster than they can emit, leading to a more complicated dislocation structure around the bubble.
C1 [Sandoval, Luis; Perez, Danny; Voter, Arthur F.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Uberuaga, Blas P.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA.
RP Perez, D (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM danny_perez@lanl.gov
FU U.S. Department of Energy (DOE), Office of Science, Office of Fusion
Energy Sciences,; Office of Advanced Scientific Computing Research
through the Scientific Discovery through Advanced Computing (SciDAC)
Project on Plasma-Surface Interactions; DOE, Office of Basic Energy
Sciences, Materials Sciences and Engineering Division; Office of Science
of the DOE [DE-AC0205CH11231, DE-AC05-00OR22725]; National Nuclear
Security Administration of the DOE [DE-AC52-O6NA25396]
FX L. S., D. P., and B. P. U. acknowledge support by the U.S. Department of
Energy (DOE), Office of Science, Office of Fusion Energy Sciences, and
Office of Advanced Scientific Computing Research through the Scientific
Discovery through Advanced Computing (SciDAC) Project on Plasma-Surface
Interactions. A. F. V. was supported by the DOE, Office of Basic Energy
Sciences, Materials Sciences and Engineering Division. This research
used resources of the National Energy Research Scientific Computing
Center, which is supported by the Office of Science of the DOE under
contract DE-AC0205CH11231, and resources of the Oak Ridge Leadership
Computing Facility at Oak Ridge National Laboratory, which is supported
by the Office of Science of the DOE under contract DE-AC05-00OR22725.
Los Alamos National Laboratory is operated by Los Alamos National
Security, LLC, for the National Nuclear Security Administration of the
DOE, under contract DE-AC52-O6NA25396.
NR 17
TC 0
Z9 0
U1 2
U2 2
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD JAN
PY 2017
VL 71
SI SI
BP 1
EP 6
DI 10.13182/FST16-116
PG 6
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EO0LY
UT WOS:000396390500002
ER
PT J
AU Hammond, KD
Ferroni, F
Wirth, BD
AF Hammond, Karl D.
Ferroni, Francesco
Wirth, Brian D.
TI Simulation of Helium Behavior Near Subsurface Prismatic Dislocation
Loops in Tungsten
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article
DE Dislocation; helium; molecular dynamics.
ID LOW-ENERGY HELIUM; MOLECULAR-DYNAMICS; BUBBLE FORMATION;
TRANSITION-METALS; SURFACES; CLUSTERS; IMPLANTATION; BOMBARDMENT;
TEMPERATURE; DAMAGE
AB We analyze the effect of subsurface prismatic dislocation loops on the surface morphology and helium clustering behavior of plasma-facing tungsten through the use of molecular dynamics simulations that are moderately large in scale, consisting of approximately 830 000 atoms, and extend to times on the order of 1 mu s. This approach eliminates some finite-size effects common in smaller simulations and reduces the flux to similar to 5.5 x 10(26) m(-2) s(-1), including ions that reflect back into the plasma-this flux is a factor of similar to 15 lower than is typically used in smaller simulations. These results indicate that prismatic loops with radii of similar to 3 nm that are centered 10 nm below the surface with Burgers vectors parallel to the surface cause helium atom clusters to accumulate at the edge of the dislocation core relatively quickly-within 100 to 150 ns of the onset of plasma exposure. Subsequent growth of these clusters, however, is relatively minimal even out to 1 mu s or more. This is partially explained by the relatively high helium implantation flux, which causes bubbles to accumulate 0 to 7 nm below the surface and block the region of the metal containing the dislocation, but this is only part of the explanation. Another effect results from the strain field around the loop itself. The compressive regions along the direction of the Burgers vector repel helium, but the tensile region initially attracts helium and traps it. However, we believe that the attractive tensile stress region is effectively shielded by the formation of helium clusters on and above it, and these bubbles subsequently experience relatively slow growth.
C1 [Hammond, Karl D.] Univ Missouri, Dept Chem Engn, Columbia, MO 65211 USA.
[Hammond, Karl D.] Univ Missouri, Nucl Engn Program, Columbia, MO 65211 USA.
[Ferroni, Francesco] Univ Oxford, Dept Mat, Parks Rd, Oxford OX1 3PH, England.
[Wirth, Brian D.] Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA.
[Wirth, Brian D.] Oak Ridge Natl Lab, Fus & Mat Nucl Syst Div, POB 2008,MS-6003, Oak Ridge, TN 37831 USA.
RP Hammond, KD (reprint author), Univ Missouri, Dept Chem Engn, Columbia, MO 65211 USA.; Hammond, KD (reprint author), Univ Missouri, Nucl Engn Program, Columbia, MO 65211 USA.
EM hammondkd@missouri.edu
FU U.S. Department of Energy (DOE), Office of Science, Office of Fusion
Energy Sciences; Office of Advanced Scientific Computing Research
through the Scientific Discovery through Advanced Computing (SciDAC)
Project on Plasma-Surface Interactions; Oak Ridge National Laboratory
(ORNL) [4000135920]; Engineering and Physical Sciences Research
Council's Centre of Doctoral Training in Fusion Energy Science and
Technology; Office of Science of the DOE [DE-AC02-05CH11231];
UT-Battelle, LLC, for the DOE [DE-AC05-00OR22725]
FX This material is based upon work supported by the U.S. Department of
Energy (DOE), Office of Science, Office of Fusion Energy Sciences, and
Office of Advanced Scientific Computing Research through the Scientific
Discovery through Advanced Computing (SciDAC) Project on Plasma-Surface
Interactions as well as subcontract 4000135920 through Oak Ridge
National Laboratory (ORNL). F. F. also acknowledges a travel grant from
the Engineering and Physical Sciences Research Council's Centre of
Doctoral Training in Fusion Energy Science and Technology.
NR 59
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PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD JAN
PY 2017
VL 71
SI SI
BP 7
EP 21
DI 10.13182/FST16-110
PG 15
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EO0LY
UT WOS:000396390500003
ER
PT J
AU Blondel, S
Hammond, KD
Hu, L
Maroudas, D
Wirth, BD
AF Blondel, Sophie
Hammond, Karl D.
Hu, Lin
Maroudas, Dimitrios
Wirth, Brian D.
TI Modeling Helium Segregation to the Surfaces of Plasma-Exposed Tungsten
as a Function of Temperature and Surface Orientation
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article
DE Helium clustering; multiscale modeling; plasma-surface interactions
ID MOLECULAR-DYNAMICS; TRANSITION-METALS; SIMULATIONS; CLUSTERS; HE
AB We provide a description of the dependence on surface crystallographic orientation and temperature of the segregation of helium implanted with energies consistent with low-energy plasma exposure to tungsten surfaces. Here, we describe multiscale modeling results based on a hierarchical approach to scale bridging that incorporates atomistic studies based on a reliable interatomic potential to parameterize a spatially dependent drift-diffusion-reaction cluster-dynamics code. An extensive set of molecular dynamics (MD) simulations has been performed at 933 K and/or 1200 K to determine the probabilities of desorption and modified trap mutation that occurs as small, mobile He-n ( 1 <= n <= 7) clusters diffuse from the near-surface region toward surfaces of varying crystallographic orientation due to an elastic interaction force that provides the thermodynamic driving force for surface segregation. These near-surface cluster dynamics have significant effects on the surface morphology, the near-surface defect structures, and the amount of helium retained in the material upon plasma exposure, for which we have developed an extensive MD database of cumulative evolution during high-flux helium implantation at 933 K, which we compare to our properly parameterized cluster-dynamics model. This validated model is then used to evaluate the effects of temperature on helium retention and subsurface helium clustering.
C1 [Blondel, Sophie; Wirth, Brian D.] Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA.
[Blondel, Sophie] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
[Hammond, Karl D.] Univ Missouri, Dept Chem Engn, Columbia, MO 65211 USA.
[Hammond, Karl D.] Univ Missouri, Nucl Engn Program, Columbia, MO 65211 USA.
[Hu, Lin; Maroudas, Dimitrios] Univ Massachusetts, Dept Chem Engn, Amherst, MA 01003 USA.
[Wirth, Brian D.] Oak Ridge Natl Lab, Fus & Mat Nucl Syst Div, Oak Ridge, TN 37831 USA.
RP Wirth, BD (reprint author), Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA.; Wirth, BD (reprint author), Oak Ridge Natl Lab, Fus & Mat Nucl Syst Div, Oak Ridge, TN 37831 USA.
EM bdwirth@utk.edu
FU U.S. Department of Energy, Office of Fusion Energy Sciences; Office of
Advanced Scientific Computing Research through the Scientific Discovery
through Advanced Computing (SciDAC) Project on Plasma-Surface
Interactions at the University of Massachusetts, Amherst.
[DE-SC0008875]; Office of Science of the U.S. Department of Energy
[DE-AC02-06CH11231, DE-AC02-06CH11357]
FX This work was supported by the U.S. Department of Energy, Office of
Fusion Energy Sciences and Office of Advanced Scientific Computing
Research through the Scientific Discovery through Advanced Computing
(SciDAC) Project on Plasma-Surface Interactions and involved award
DE-SC0008875 at the University of Massachusetts, Amherst. Significant
computing resources were used by this project at the National Energy
Research Scientific Computing facility at Lawrence Berkeley National
Laboratory and at the Argonne Leadership Computing Facility at Argonne
National Laboratory, which are supported by the Office of Science of the
U.S. Department of Energy under contracts DE-AC02-06CH11231 and
DE-AC02-06CH11357, respectively. The use of the facilities of the
Massachusetts Green HighPerformance Computing Center also is gratefully
acknowledged.
NR 38
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U1 0
U2 0
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD JAN
PY 2017
VL 71
SI SI
BP 22
EP 35
DI 10.13182/FST16-112
PG 14
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EO0LY
UT WOS:000396390500004
ER
PT J
AU Samolyuk, GD
Osetsky, YN
Stoller, RE
AF Samolyuk, G. D.
Osetsky, Y. N.
Stoller, R. E.
TI Properties of Vacancy Complexes with Hydrogen and Helium Atoms in
Tungsten from First Principles
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article
DE Binding energy; plasma-facing material; hydrogen and helium in tungsten
ID BCC TRANSITION-METALS; ENERGY; IRRADIATION; HE
AB Tungsten and its alloys are the primary candidate materials for plasma-facing components in fusion reactors. The material is exposed to high-energy neutrons and the high flux of helium and hydrogen atoms. In this work we have studied the properties of vacancy clusters and their interaction with H and He in W using density functional theory. Convergence of calculations with respect to modeling cell size was investigated. It is demonstrated that vacancy cluster formation energy converges with small cells with a size of 6 x 6 x 6 (432 lattice sites) enough to consider a microvoid of up to six vacancies with high accuracy. Most of the vacancy clusters containing fewer than six vacancies are unstable. Introducing He or H atoms increases their binding energy potentially making gas-filled bubbles stable. According to the results of the calculations, the H-2 molecule is unstable in clusters containing six or fewer vacancies.
C1 [Samolyuk, G. D.; Osetsky, Y. N.; Stoller, R. E.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
RP Samolyuk, GD (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
EM samolyukgd@ornl.gov
OI Osetskiy, Yury/0000-0002-8109-0030
FU U. S. Department of Energy (DOE); Office of Fusion Energy Sciences and
Office of Advanced Scientific Computing Research through the Scientific
Discovery through Advanced Computing (SciDAC) Project on Plasma-Surface
Interactions [DE-SC0008875]; UT-Battelle,LLC; DOE, Office of Fusion
Energy Sciences [DE-AC05-00OR22725]; Office of Science of the DOE
[DE-AC02-05CH11231]
FX The authors would like to thank A. Strange for critical reading of the
manuscript. This research was sponsored by the U. S. Department of
Energy (DOE), Office of Fusion Energy Sciences and Office of Advanced
Scientific Computing Research through the Scientific Discovery through
Advanced Computing (SciDAC) Project on Plasma-Surface Interactions under
award DE-SC0008875, under contract with UT-Battelle,LLC, and by the DOE,
Office of Fusion Energy Sciences, under contract DE-AC05-00OR22725 with
UT-Battelle, LLC. This research used resources of the National Energy
Research Scientific Computing Center, a DOE Office of Science User
Facility supported by the Office of Science of the DOE under contract
DE-AC02-05CH11231.
NR 19
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U1 1
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PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD JAN
PY 2017
VL 71
SI SI
BP 52
EP 59
DI 10.13182/FST16-118
PG 8
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EO0LY
UT WOS:000396390500006
ER
PT J
AU Yang, ZC
Blondel, S
Hammond, KD
Wirth, BD
AF Yang, Zhangcan
Blondel, Sophie
Hammond, Karl D.
Wirth, Brian D.
TI Kinetic Monte Carlo Simulations of Helium Cluster Nucleation in Tungsten
with Preexisting Vacancies
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article
DE Helium bubble nucleation; object kinetic Monto Carlo; plasma-surface
interaction
ID INTERATOMIC POTENTIALS; POINT-DEFECT; TRANSITION-METALS; IRRADIATION;
DIFFUSION; EVOLUTION; DYNAMICS; BINDING; MODEL; TEMPERATURE
AB The object kinetic Monte Carlo code Kinetic Simulations Of Microstructure Evolution (KSOME) was used to study the subsurface helium clustering behavior in tungsten as a function of temperature, helium implantation rate, and vacancy concentration. The simulations evaluated helium implantation fluxes from 10(22) to 10(62) m (2) center dot s (1) at temperatures from 473 to 1473 K for 100-eV helium ions implanted below tungsten surfaces and for vacancy concentrations between 1 and 50 parts per million. Such vacancy concentrations far exceed thermodynamic equilibrium values but are consistent with supersaturated concentrations expected during concurrent, or preexisting, neutron irradiation. The thermodynamics and kinetic parameters to describe helium diffusion and clustering are input to KSOME based on values obtained from atomistic simulation results. These kinetic Monte Carlo results clearly delineate two different regimes of helium cluster nucleation, one dominated by helium self-trapping at high implantation rates and lower temperatures and one where helium-vacancy trapping dominates the helium cluster nucleation at lower implantation rates and higher temperatures. The transition between these regimes has been mapped as a function of implantation rate, temperature, and vacancy concentration and can provide guidance to understand the conditions under which neutron irradiation effects may contribute to subsurface gas nucleation in tungsten plasma-facing components.
C1 [Yang, Zhangcan] Huazhong Univ Sci & Technol, Dept Nucl Engn & Technol, Wuhan 430074, Peoples R China.
[Yang, Zhangcan; Blondel, Sophie; Wirth, Brian D.] Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA.
[Blondel, Sophie] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
[Hammond, Karl D.] Univ Missouri, Dept Chem Engn, Columbia, MO 65211 USA.
[Hammond, Karl D.] Univ Missouri, Nucl Engn Program, Columbia, MO 65211 USA.
[Wirth, Brian D.] Oak Ridge Natl Lab, Nucl Sci & Engn Directorate, Oak Ridge, TN 37831 USA.
RP Wirth, BD (reprint author), Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA.; Wirth, BD (reprint author), Oak Ridge Natl Lab, Nucl Sci & Engn Directorate, Oak Ridge, TN 37831 USA.
EM bdwirth@utk.edu
FU Scientific Discovery through Advanced Computing (SciDAC) Program on
Plasma Surface Interactions-U.S. Department of Energy (DOE), Office of
Science, Advanced Scientific Computing Research and Fusion Energy
Sciences; DOE Office of Fusion Energy Sciences [DOEDE-SC0006661]
FX This work was supported through the Scientific Discovery through
Advanced Computing (SciDAC) Program on Plasma Surface Interactions,
funded by the U.S. Department of Energy (DOE), Office of Science,
Advanced Scientific Computing Research and Fusion Energy Sciences, as
well as partially supported by DOE Office of Fusion Energy Sciences
grant DOEDE-SC0006661. G. Nandipati from Pacific Northwest National
Laboratory is gratefully acknowledged for his assistance with our use of
the KSOME code. M. A. Cusentino and K. Breeding from the University of
Tennessee are acknowledged for their helpful suggestions to improve the
manuscript.
NR 47
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PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD JAN
PY 2017
VL 71
SI SI
BP 60
EP 74
DI 10.13182/FST16-111
PG 15
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EO0LY
UT WOS:000396390500007
ER
PT J
AU Blondel, S
Bernholdt, DE
Hammond, KD
Hu, L
Maroudas, D
Wirth, BD
AF Blondel, Sophie
Bernholdt, David E.
Hammond, Karl D.
Hu, Lin
Maroudas, Dimitrios
Wirth, Brian D.
TI Benchmarks and Tests of a Multidimensional Cluster Dynamics Model of
Helium Implantation in Tungsten
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article
DE Cluster dynamics simulation; grain boundaries; plasma-exposed tungsten
ID MOLECULAR-DYNAMICS; TRANSITION-METALS; BUBBLE FORMATION; SIMULATION;
DIFFUSION; SURFACES
AB We present a hierarchical multiscale modeling study of implanted helium (He) segregation near grain boundaries (GBs) of tungsten. We extend our spatially dependent cluster dynamics model to two spatial dimensions in order to take into account the biased drift of mobile He clusters toward the GBs observed in atomic-scale simulations. We are able to reproduce the results from large-scale molecular dynamics simulations near and away from the GBs at low fluence with the extended cluster dynamics model. We suggest and verify that the sink (surface and GB) strengths are attenuated by the increasing concentration of He clusters at high fluence. This cluster dynamics model continues to set the stage for development of fully atomistically informed, coarse-grained models for computationally efficient predictions of He retention and surface morphological evolution, advancing progress toward the goal of efficient and optimal design of plasma-facing components.
C1 [Blondel, Sophie; Wirth, Brian D.] Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA.
[Blondel, Sophie; Bernholdt, David E.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
[Hammond, Karl D.] Univ Missouri, Dept Chem Engn, Columbia, MO 65211 USA.
[Hammond, Karl D.] Univ Missouri, Nucl Engn Program, Columbia, MO 65211 USA.
[Hu, Lin; Maroudas, Dimitrios] Univ Massachusetts, Dept Chem Engn, Amherst, MA 01003 USA.
[Wirth, Brian D.] Oak Ridge Natl Lab, Fus & Mat Nucl Syst Div, Oak Ridge, TN 37831 USA.
RP Blondel, S (reprint author), Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA.; Blondel, S (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
EM sblondel@utk.edu
FU U.S. Department of Energy (DOE), Office of Fusion Energy Sciences and
Office of Advanced Scientific Computing Research through the Scientific
Discovery through Advanced Computing (SciDAC) project on plasma-surface
interactions [DE-SC0008875]; Office of Science of the DOE
[DE-AC05-00OR22725, DE-AC02-05CH11231]; [DE-AC0206CH11357]
FX This work was supported by the U.S. Department of Energy (DOE), Office
of Fusion Energy Sciences and Office of Advanced Scientific Computing
Research through the Scientific Discovery through Advanced Computing
(SciDAC) project on plasma-surface interactions under award
DE-SC0008875. This research used resources of the Oak Ridge Leadership
Computing Facility at the Oak Ridge National Laboratory, which is
supported by the Office of Science of the DOE under contract
DE-AC05-00OR22725. The MD studies used resources of the Argonne
Leadership Computing Facility, which is a DOE Office of Science User
Facility supported under contract DE-AC0206CH11357, and also used
resources of the National Energy Research Scientific Computing Center, a
DOE Office of Science User Facility supported by the Office of Science
of the DOE under contract DE-AC02-05CH11231.
NR 37
TC 0
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U1 0
U2 0
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD JAN
PY 2017
VL 71
SI SI
BP 84
EP 92
DI 10.13182/FST16-109
PG 9
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EO0LY
UT WOS:000396390500009
ER
PT J
AU Canik, JM
Tang, XZ
AF Canik, J. M.
Tang, X. -Z.
TI Sensitivity of the Boundary Plasma to the Plasma-Material Interface
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article
DE Scrape-off layer; divertor; sheath
ID REFLECTION; B2-EIRENE; CODES; EDGE; ITER
AB While the sensitivity of the scrape-off layer and divertor plasma to the highly uncertain cross-field transport assumptions is widely recognized, the plasma is also sensitive to the details of the plasma-material interface (PMI) models used as part of comprehensive predictive simulations. Here, these PMI sensitivities are studied by varying the relevant submodels within the SOLPS plasma transport code. Two aspects are explored: the sheath model used as a boundary condition in SOLPS, and fast particle reflection rates for ions impinging on a material surface. Both of these have been the study of recent high-fidelity simulation efforts aimed at improving the understanding and prediction of these phenomena. It is found that in both cases quantitative changes to the plasma solution result from modification of the PMI model, with a larger impact in the case of the reflection coefficient variation. This indicates the necessities to better quantify the uncertainties within the PMI models themselves and to perform thorough sensitivity analysis to propagate these throughout the boundary model; this is especially important for validation against experiment, where the error in the simulation is a critical and less-studied piece of the code-experiment comparison.
C1 [Canik, J. M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Tang, X. -Z.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Canik, JM (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM canikjm@ornl.gov
FU UT-Battelle, LLC [DE-AC05-00OR22725]; DOE as part of the Scientific
Discovery through Advanced Computing (SciDAC) project
[DE-AC52-06NA25396]
FX This manuscript has been authored by UT-Battelle, LLC, under contract
DE-AC05-00OR22725 with the U.S. Department of Energy (DOE). This
research was supported by DOE under contracts DE-AC05-00OR22725 and
DE-AC52-06NA25396 as part of the Scientific Discovery through Advanced
Computing (SciDAC) project on plasma-surface interactions. Fruitful
discussions with D. Green, J. Lore, and A. Lasa are gratefully
acknowledged.
NR 23
TC 0
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U1 2
U2 2
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD JAN
PY 2017
VL 71
SI SI
BP 103
EP 109
DI 10.13182/FST16-124
PG 7
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EO0LY
UT WOS:000396390500011
ER
PT J
AU Tang, XZ
Guo, ZH
AF Tang, Xian-Zhu
Guo, Zehua
TI Plasma Power Recycling at the Divertor Surface
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article
DE Power recycling; divertor
ID TOKAMAK EDGE PLASMAS; WALL
AB With a divertor made of solid materials like carbon and tungsten, plasma ions are expected to be recycled at the divertor surface with a time-averaged particle recycling coefficient very close to unity in steady-state operation. This means that almost every plasma ion (hydrogen and helium) will be returned to the plasma, mostly as neutrals. The power flux deposited by the plasma on the divertor surface, on the other hand, can have varying recycling characteristics depending on the material choice of the divertor; the run-time atomic composition of the surface, which can be modified by material mix due to impurity migration in the chamber; and the surface morphology change over time. In general, a high-Z-material (such as tungsten) surface tends to reflect light ions and produce stronger power recycling, while a low-Z-material (such as carbon) surface tends to have a larger sticking coefficient for light ions and hence lower power recycling. Here, an explicit constraint on target plasma density and temperature is derived from the truncated bi-Maxwellian sheath model, in relation to the absorbed power load and power recycling coefficient at the divertor surface. It is shown that because of the surface recombination energy flux, the attached plasma has a sharper response to power recycling in comparison to a detached plasma.
C1 [Tang, Xian-Zhu; Guo, Zehua] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Tang, XZ (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM xtang@lanl.gov
FU U.S. Department of Energy Office of Science, Office of Fusion Energy
Sciences; Office of Advanced Scientific Computing, under National
Nuclear Security Administration of the U.S. Department of Energy by Los
Alamos National Laboratory [DE-AC52-06NA25396]
FX We would like to thank S. Hsu, A. Moser, A. Breisemeister, D. Thomas, H.
Guo, D. Hill, M. Groth, R. Nygren, Z. Unterberg, and J. Canik for useful
discussions. This work was supported by the U.S. Department of Energy
Office of Science, Office of Fusion Energy Sciences and Office of
Advanced Scientific Computing, under the auspices of the National
Nuclear Security Administration of the U.S. Department of Energy by Los
Alamos National Laboratory, operated by Los Alamos National Security LLC
under contract DE-AC52-06NA25396.
NR 30
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U1 3
U2 3
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD JAN
PY 2017
VL 71
SI SI
BP 110
EP 121
DI 10.13182/FST16-119
PG 12
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EO0LY
UT WOS:000396390500012
ER
PT J
AU Jost, AB
Bachan, A
van de Schootbrugge, B
Brown, ST
DePaolo, DJ
Payne, JL
AF Jost, Adam B.
Bachan, Aviv
van de Schootbrugge, Bas
Brown, Shaun T.
DePaolo, Donald J.
Payne, Jonathan L.
TI Additive effects of acidification and mineralogy on calcium isotopes in
Triassic/Jurassic boundary limestones
SO GEOCHEMISTRY GEOPHYSICS GEOSYSTEMS
LA English
DT Article
DE calcium isotopes; Triassic; Jurassic; carbon isotopes; extinction;
aragonite
ID ATLANTIC MAGMATIC PROVINCE; TRIASSIC-JURASSIC BOUNDARY; OCEAN
ACIDIFICATION; DELTA-C-13 EXCURSION; SEAWATER CHEMISTRY; MASS
EXTINCTION; FOSSIL RECORD; FRACTIONATION; CONSTRAINTS; CO2
AB The end-Triassic mass extinction coincided with a negative C-13 excursion, consistent with release of C-13-depleted CO2 from the Central Atlantic Magmatic Province. However, the amount of carbon released and its effects on ocean chemistry are poorly constrained. The coupled nature of the carbon and calcium cycles allows calcium isotopes to be used for constraining carbon cycle dynamics and vice versa. We present a high-resolution calcium isotope (Ca-44/40) record from 100 m of marine limestone spanning the Triassic/Jurassic boundary in two stratigraphic sections from northern Italy. Immediately above the extinction horizon and the associated negative excursion in C-13, Ca-44/40 decreases by approximate to 0.8 in 20 m of section and then recovers to preexcursion values. Coupled numerical models of the geological carbon and calcium cycles demonstrate that this Ca-44/40 excursion is too large to be explained by changes to seawater Ca-44/40 alone, regardless of CO2 injection volume and duration. Less than 20% of the Ca-44/40 excursion can be attributed to acidification. The remaining 80% likely reflects a higher proportion of aragonite in the original sediment, based largely on high concentrations of Sr in the samples. Our study demonstrates that coupled models of the carbon and calcium cycles have the potential to help distinguish contributions of primary seawater isotopic changes from local or diagenetic effects on the Ca-44/40 of carbonate sediments. Differentiating between these effects is critical for constraining the impact of ocean acidification during the end-Triassic mass extinction, as well as for interpreting other environmental events in the geologic past.
C1 [Jost, Adam B.; Bachan, Aviv; Payne, Jonathan L.] Stanford Univ, Dept Geol Sci, Stanford, CA 94305 USA.
[Jost, Adam B.] MIT, Dept Earth Atmospher & Planetary Sci, Cambridge, MA 02139 USA.
[van de Schootbrugge, Bas] Univ Utrecht, Dept Earth Sci, Marine Palynol & Paleoceanog Grp, Utrecht, Netherlands.
[Brown, Shaun T.; DePaolo, Donald J.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.
[Brown, Shaun T.; DePaolo, Donald J.] Lawrence Berkeley Natl Lab, Dept Geochem, Energy Geosci Div, Berkeley, CA USA.
RP Jost, AB (reprint author), Stanford Univ, Dept Geol Sci, Stanford, CA 94305 USA.; Jost, AB (reprint author), MIT, Dept Earth Atmospher & Planetary Sci, Cambridge, MA 02139 USA.
EM abjost@mit.edu
OI Payne, Jonathan/0000-0002-9601-3310
FU NASA [NNX09AN6767]; Geological Society of America; American Association
of Petroleum Geologists; Paleontological Society; Stanford University
McGee Fund; Office of Science, Office of Basic Energy Sciences, Division
of Chemical Sciences, Geosciences, and Biosciences, of the U.S.
Department of Energy [DE-AC02-05CH11231]
FX Information on statistics, additional model scenarios, and diagenetic
modeling of Sr and delta44/40Ca are available in the
supporting information. This study was supported by NASA grant
(NNX09AN6767) to J.L.P., by funding from Geological Society of America,
the American Association of Petroleum Geologists, the Paleontological
Society, and Stanford University McGee Fund to A.B.J., and by the
Director, Office of Science, Office of Basic Energy Sciences, Division
of Chemical Sciences, Geosciences, and Biosciences, of the U.S.
Department of Energy under contract DE-AC02-05CH11231 to D.J.D. The
isotopes used in this research were supplied by the United States
Department of Energy Office of Science by the Isotope Program in the
Office of Nuclear Physics. We thank K. V. Lau, G. Li, K. Maher, T. L.
Owens, and K. W. Weaver for their assistance with laboratory work, and
two anonymous reviewers for their constructive feedback on this
manuscript.
NR 48
TC 1
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U1 3
U2 3
PU AMER GEOPHYSICAL UNION
PI WASHINGTON
PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA
SN 1525-2027
J9 GEOCHEM GEOPHY GEOSY
JI Geochem. Geophys. Geosyst.
PD JAN
PY 2017
VL 18
IS 1
BP 113
EP 124
DI 10.1002/2016GC006724
PG 12
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA EM3AJ
UT WOS:000395186600007
ER
PT J
AU Mahowald, NM
Randerson, JT
Lindsay, K
Munoz, E
Doney, SC
Lawrence, P
Schlunegger, S
Ward, DS
Lawrence, D
Hoffman, FM
AF Mahowald, Natalie M.
Randerson, James T.
Lindsay, Keith
Munoz, Ernesto
Doney, Scott C.
Lawrence, Peter
Schlunegger, Sarah
Ward, Daniel S.
Lawrence, David
Hoffman, Forrest M.
TI Interactions between land use change and carbon cycle feedbacks
SO GLOBAL BIOGEOCHEMICAL CYCLES
LA English
DT Article
DE carbon cycle; climate change; land use and land cover change; Earth
system models
ID COVER CHANGE; CLIMATE-CHANGE; CO2 EMISSIONS; ATMOSPHERIC CO2; GLOBAL
CLIMATE; CHANGE IMPACTS; WOOD HARVEST; MODEL; ACCLIMATION; RESPIRATION
AB Using the Community Earth System Model, we explore the role of human land use and land cover change (LULCC) in modifying the terrestrial carbon budget in simulations forced by Representative Concentration Pathway 8.5, extended to year 2300. Overall, conversion of land (e.g., from forest to croplands via deforestation) results in a model-estimated, cumulative carbon loss of 490PgC between 1850 and 2300, larger than the 230PgC loss of carbon caused by climate change over this same interval. The LULCC carbon loss is a combination of a direct loss at the time of conversion and an indirect loss from the reduction of potential terrestrial carbon sinks. Approximately 40% of the carbon loss associated with LULCC in the simulations arises from direct human modification of the land surface; the remaining 60% is an indirect consequence of the loss of potential natural carbon sinks. Because of the multicentury carbon cycle legacy of current land use decisions, a globally averaged amplification factor of 2.6 must be applied to 2015 land use carbon losses to adjust for indirect effects. This estimate is 30% higher when considering the carbon cycle evolution after 2100. Most of the terrestrial uptake of anthropogenic carbon in the model occurs from the influence of rising atmospheric CO2 on photosynthesis in trees, and thus, model-projected carbon feedbacks are especially sensitive to deforestation.
C1 [Mahowald, Natalie M.; Schlunegger, Sarah; Ward, Daniel S.] Cornell Univ, Dept Earth & Atmospher Sci, Ithaca, NY 14850 USA.
[Randerson, James T.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA USA.
[Lindsay, Keith; Munoz, Ernesto; Lawrence, Peter; Lawrence, David] Natl Ctr Atmospher Res, Climate Dynam Div, POB 3000, Boulder, CO 80307 USA.
[Doney, Scott C.] Woods Hole Oceanog Inst, Marine Chem & Geochem, Woods Hole, MA 02543 USA.
[Schlunegger, Sarah; Ward, Daniel S.] Princeton Univ, Program Atmospher & Ocean Sci, Princeton, NJ 08544 USA.
[Hoffman, Forrest M.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN USA.
RP Mahowald, NM (reprint author), Cornell Univ, Dept Earth & Atmospher Sci, Ithaca, NY 14850 USA.
EM mahowald@cornell.edu
RI Doney, Scott/F-9247-2010; Hoffman, Forrest/B-8667-2012;
OI Doney, Scott/0000-0002-3683-2437; Hoffman, Forrest/0000-0001-5802-4134;
Mahowald, Natalie/0000-0002-2873-997X; Lawrence,
David/0000-0002-2968-3023
FU National Science Foundation [NSF AGS 1049033, CCF-1522054]; Regional and
Global Climate Modeling Program of the Office of Biological and
Environmental Research in the U.S. Department of Energy's Office of
Science; U.S. Department of Energy, Office of Science
[DE-AC05-00OR22725]
FX We would like to acknowledge the support of the National Science
Foundation (NSF AGS 1049033, CCF-1522054) and and the Regional and
Global Climate Modeling Program of the Office of Biological and
Environmental Research in the U.S. Department of Energy's Office of
Science. We would like to acknowledge high-performance computing support
from Yellowstone (ark:/85065/d7wd3xhc) provided by NCAR's Computational
and Information Systems Laboratory, sponsored by the National Science
Foundation. We would like to acknowledge the assistance of Rachel
Scanza, two anonymous reviewers, and the Associate Editor in improving
the manuscript. Archived information from the simulations will be made
publically available at the NCAR archive and by contacting the authors
(mahowald@cornell.edu). This material is based upon work supported by
the U.S. Department of Energy, Office of Science, under contract number
DE-AC05-00OR22725.
NR 73
TC 1
Z9 1
U1 6
U2 6
PU AMER GEOPHYSICAL UNION
PI WASHINGTON
PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA
SN 0886-6236
EI 1944-9224
J9 GLOBAL BIOGEOCHEM CY
JI Glob. Biogeochem. Cycle
PD JAN
PY 2017
VL 31
IS 1
BP 96
EP 113
DI 10.1002/2016GB005374
PG 18
WC Environmental Sciences; Geosciences, Multidisciplinary; Meteorology &
Atmospheric Sciences
SC Environmental Sciences & Ecology; Geology; Meteorology & Atmospheric
Sciences
GA EM1PD
UT WOS:000395088600006
ER
PT J
AU Ozanich, RM
Colburn, HA
Victry, KD
Bartholomew, RA
Arce, JS
Heredia-Langner, A
Jarman, K
Kreuzer, HW
Bruckner-Lea, CJ
AF Ozanich, Richard M.
Colburn, Heather A.
Victry, Kristin D.
Bartholomew, Rachel A.
Arce, Jennifer S.
Heredia-Langner, Alejandro
Jarman, Kristin
Kreuzer, Helen W.
Bruckner-Lea, Cynthia J.
TI EVALUATION OF PCR SYSTEMS FOR FIELD SCREENING OF BACILLUS ANTHRACIS
SO HEALTH SECURITY
LA English
DT Article
DE PCR; Anthrax; Bacillus anthracis; Ricin; First responders; Field
screening
ID FRANCISELLA-TULARENSIS; YERSINIA-PESTIS; ASSAYS
AB There is little published data on the performance of hand-portable polymerase chain reaction (PCR) systems that can be used by first responders to determine if a suspicious powder contains a potential biothreat agent. We evaluated 5 commercially available hand-portable PCR instruments for detection of Bacillus anthracis. We used a cost-effective, statistically based test plan to evaluate systems at performance levels ranging from 0.85-0.95 lower confidence bound (LCB) of the probability of detection ( POD) at confidence levels of 80% to 95%. We assessed specificity using purified genomic DNA from 13 B. anthracis strains and 18 Bacillus near neighbors, potential interference with 22 suspicious powders that are commonly encountered in the field by first responders during suspected biothreat incidents, and the potential for PCR inhibition when B. anthracis spores were spiked into these powders. Our results indicate that 3 of the 5 systems achieved 0.95 LCB of the probability of detection with 95% confidence levels at test concentrations of 2,000 genome equivalents/mL (GE/mL), which is comparable to 2,000 spores/mL. This is more than sufficient sensitivity for screening visible suspicious powders. These systems exhibited no false-positive results or PCR inhibition with common suspicious powders and reliably detected B. anthracis spores spiked into these powders, though some issues with assay controls were observed. Our testing approach enables efficient performance testing using a statistically rigorous and cost-effective test plan to generate performance data that allow users to make informed decisions regarding the purchase and use of field biodetection equipment.
C1 [Ozanich, Richard M.; Victry, Kristin D.; Bartholomew, Rachel A.; Arce, Jennifer S.; Kreuzer, Helen W.; Bruckner-Lea, Cynthia J.] Pacific Northwest Natl Lab, Signature Sci & Technol Div, 902 Battelle Blvd,POB 999,MSIN P7-50, Richland, WA 99354 USA.
[Colburn, Heather A.] Pacific Northwest Natl Lab, Div Nucl Sci, Richland, WA USA.
[Heredia-Langner, Alejandro; Jarman, Kristin] Pacific Northwest Natl Lab, Stat Analyt Div, Richland, WA USA.
RP Bruckner-Lea, CJ (reprint author), Pacific Northwest Natl Lab, Signature Sci & Technol Div, 902 Battelle Blvd,POB 999,MSIN P7-50, Richland, WA 99354 USA.
EM cindy.bruckner-lea@pnnl.gov
FU Department of Homeland Security, Science and Technology Directorate
[HSHQDC-08-X00843/6, HSHQPM-12-X-00169/6]; US Department of Energy
[DE-AC06-76RLO]
FX We acknowledge Dr. Karen Hill from Los Alamos National Laboratory for
providing stocks of exclusivity strain organisms that were not available
through CRP/BEI or ATCC. We thank Kimberly Weber, Andrew Phipps, Bobbi
Horne, Rebecca Limmer, and Jan Nevy from the Battelle Memorial Institute
for their assistance in performing the tests using B. anthracis Ames
spores. We also thank Cheryl Baird for technical reviews and Hayley
Cardamone for conducting powder sampling measurements when they were at
Pacific Northwest National Laboratory (PNNL). The Department of Homeland
Security, Science and Technology Directorate, provided funding for this
research through contracts HSHQDC-08-X00843/6 and HSHQPM-12-X-00169/6 to
PNNL. PNNL is operated by Battelle Memorial Institute for the US
Department of Energy under contract DE-AC06-76RLO. This evaluation does
not indicate an endorsement or adoption of any of the technologies by
PNNL or the US Department of Homeland Security. The authors declare no
conflicts of interest related to this work.
NR 22
TC 0
Z9 0
U1 1
U2 1
PU MARY ANN LIEBERT, INC
PI NEW ROCHELLE
PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA
SN 2326-5094
EI 2326-5108
J9 HEALTH SECUR
JI Health Secur.
PD JAN-FEB
PY 2017
VL 15
IS 1
BP 70
EP 80
DI 10.1089/hs.2016.0043
PG 11
WC Public, Environmental & Occupational Health
SC Public, Environmental & Occupational Health
GA EL0ZA
UT WOS:000394349100017
PM 28192050
ER
PT J
AU Bartholomew, RA
Ozanich, RM
Arce, JS
Engelmann, HE
Heredia-Langner, A
Hofstad, BA
Hutchison, JR
Jarman, K
Melville, AM
Victry, KD
Bruckner-Lea, CJ
AF Bartholomew, Rachel A.
Ozanich, Richard M.
Arce, Jennifer S.
Engelmann, Heather E.
Heredia-Langner, Alejandro
Hofstad, Beth A.
Hutchison, Janine R.
Jarman, Kristin
Melville, Angela M.
Victry, Kristin D.
Bruckner-Lea, Cynthia J.
TI EVALUATION OF IMMUNOASSAYS AND GENERAL BIOLOGICAL INDICATOR TESTS FOR
FIELD SCREENING OF BACILLUS ANTHRACIS AND RICIN
SO HEALTH SECURITY
LA English
DT Article
DE First responders; Anthrax; Ricin; Field screening; Biosensors
ID ASSAYS; SPORES
AB There is little published data on the performance of biological indicator tests and immunoassays that could be used by first responders to determine if a suspicious powder contains a potential biothreat agent. We evaluated a range of biological indicator tests, including 3 protein tests, 2 ATP tests, 1 DNA test, and 1 FTIR spectroscopy instrument for their ability to screen suspicious powders for Bacillus anthracis (B. anthracis) spores and ricin. We also evaluated 12 immunoassays (mostly lateral flow immunoassays) for their ability to screen for B. anthracis and ricin. We used a cost-effective, statistically based test plan that allows instruments to be evaluated at performance levels ranging from 0.85 to 0.95 lower confidence bound of the probability of detection at confidence levels of 80% to 95%. We also assessed interference with 22 common suspicious powders encountered in the field. The detection reproducibility for the biological indicators was evaluated at 10(8) B. anthracis spores and 62.5 mu g ricin, and the immunoassay detection reproducibility was evaluated at 10(7) spores/mL ( B. anthracis) and 0.1 mu g/mL ( ricin). Seven out of 12 immunoassays met our most stringent criteria for B. anthracis detection, while 9 out of 12 met our most stringent test criteria for ricin detection. Most of the immunoassays also detected ricin in 3 different crude castor seed preparations. Our testing results varied across products and sample preparations, indicating the importance of reviewing performance data for specific instruments and sample types of interest for the application in order to make informed decisions regarding the selection of biodetection equipment for field use.
C1 [Bartholomew, Rachel A.; Ozanich, Richard M.; Arce, Jennifer S.; Hutchison, Janine R.; Melville, Angela M.; Victry, Kristin D.; Bruckner-Lea, Cynthia J.] Pacific Northwest Natl Lab, Signature Sci & Technol Div, 902 Battelle Blvd,POB 999,MSIN P7-50, Richland, WA 99354 USA.
[Engelmann, Heather E.] Pacific Northwest Natl Lab, Worker Safety & Hlth Div, Richland, WA USA.
[Heredia-Langner, Alejandro; Jarman, Kristin] Pacific Northwest Natl Lab, Computat & Stat Analyt Div, Richland, WA USA.
[Hofstad, Beth A.] Pacific Northwest Natl Lab, Energy Proc & Mat Div, Richland, WA USA.
RP Bruckner-Lea, CJ (reprint author), Pacific Northwest Natl Lab, Signature Sci & Technol Div, 902 Battelle Blvd,POB 999,MSIN P7-50, Richland, WA 99354 USA.
EM cindy.bruckner-lea@pnnl.gov
FU Department of Homeland Security, Science and Technology Directorate
[HSHQDC-08-X00843/6, HSHQPM-12-X-00169/6]; US Department of Energy
[DE-AC06-76RLO]
FX The Department of Homeland Security, Science and Technology Directorate,
provided funding for this research through contracts HSHQDC-08-X00843/6
and HSHQPM-12-X-00169/6 to Pacific Northwest National Laboratory (PNNL).
PNNL is operated by Battelle Memorial Institute for the US Department of
Energy under contract DE-AC06-76RLO. This evaluation does not indicate
an endorsement or adoption of any of the technologies by PNNL or the US
Department of Homeland Security. The authors declare no conflicts of
interest related to this work.
NR 23
TC 0
Z9 0
U1 1
U2 1
PU MARY ANN LIEBERT, INC
PI NEW ROCHELLE
PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA
SN 2326-5094
EI 2326-5108
J9 HEALTH SECUR
JI Health Secur.
PD JAN-FEB
PY 2017
VL 15
IS 1
BP 81
EP 96
DI 10.1089/hs.2016.0044
PG 16
WC Public, Environmental & Occupational Health
SC Public, Environmental & Occupational Health
GA EL0ZA
UT WOS:000394349100018
PM 28192054
ER
PT J
AU Yang, F
Zhang, LY
Zhu, RY
Kapustinsky, J
Nelson, R
Wang, ZH
AF Yang, Fan
Zhang, Liyuan
Zhu, Ren-Yuan
Kapustinsky, Jon
Nelson, Ron
Wang, Zhehui
TI Proton-Induced Radiation Damage in Fast Crystal Scintillators
SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE
LA English
DT Article
DE Crystals; LYSO; protons; radiation damage; scintillators
ID PBWO4 CALORIMETER CRYSTALS; HIGH-ENERGY PROTON; IRRADIATION; LSO; LHC;
CMS
AB This paper reports proton-induced radiation damage in fast crystal scintillators. Large size LYSO and CeF3 crystals of 20 and 15 cm long were irradiated by 800 MeV protons at Los Alamos up to 3.3x10(14) p/cm(2) with degradation and recovery of their longitudinal transmittance measured in situ. LYSO plates of 14 x 14 x 1.5 mm(3) were irradiated by 67 MeV protons at UC Davis up to 9.5 x 10(13) p/cm(2), and by 24 GeV protons at CERN up to 6.9 x 10(15) p/cm(2). The results show an excellent radiation hardness of LYSO crystals against charged hadrons.
C1 [Yang, Fan; Zhang, Liyuan; Zhu, Ren-Yuan] CALTECH, Pasadena, CA 91125 USA.
[Kapustinsky, Jon; Nelson, Ron; Wang, Zhehui] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Wang, ZH (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM zhu@hep.caltech.edu
FU U.S. Department of Energy [DE-SC0011925, DE-AC52-06NA25396]
FX This work was supported in part by the U.S. Department of Energy Grants
DE-SC0011925 and DE-AC52-06NA25396.
NR 22
TC 0
Z9 0
U1 0
U2 0
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0018-9499
EI 1558-1578
J9 IEEE T NUCL SCI
JI IEEE Trans. Nucl. Sci.
PD JAN
PY 2017
VL 64
IS 1
BP 665
EP 672
DI 10.1109/TNS.2016.2633427
PN 2
PG 8
WC Engineering, Electrical & Electronic; Nuclear Science & Technology
SC Engineering; Nuclear Science & Technology
GA EO6PD
UT WOS:000396814100005
ER
PT J
AU Hasim, S
Allison, DP
Retterer, ST
Hopke, A
Wheeler, RT
Doktycz, MJ
Reynolds, TB
AF Hasim, Sahar
Allison, David P.
Retterer, Scott T.
Hopke, Alex
Wheeler, Robert T.
Doktycz, Mitchel J.
Reynolds, Todd B.
TI beta-(1,3)-Glucan Unmasking in Some Candida albicans Mutants Correlates
with Increases in Cell Wall Surface Roughness and Decreases in Cell Wall
Elasticity
SO INFECTION AND IMMUNITY
LA English
DT Article
DE beta-(1,3)-glucan; adhesion force mapping; Candida albicans; Dectin-1;
Young's modulus; atomic force microscopy; caspofungin; elasticity;
gelatin immobilization; macrophages; indentation force mapping
ID ATOMIC-FORCE MICROSCOPY; ANTIFUNGAL DRUG-RESISTANCE; BLOOD-STREAM
INFECTIONS; ESCHERICHIA-COLI; MOLECULAR-ORGANIZATION; RECOGNITION
EVENTS; MICROBIAL-CELLS; YEAST-CELLS; AFM; GENE
AB Candida albicans is among the most common human fungal pathogens, causing a broad range of infections, including life-threatening systemic infections. The cell wall of C. albicans is the interface between the fungus and the innate immune system. The cell wall is composed of an outer layer enriched in mannosylated glycoproteins (mannan) and an inner layer enriched in beta-(1,3)-glucan and chitin. Detection of C. albicans by Dectin-1, a C-type signaling lectin specific for beta-(1,3)-glucan, is important for the innate immune system to recognize systemic fungal infections. Increased exposure of beta-(1,3)-glucan to the immune system occurs when the mannan layer is altered or removed in a process called unmasking. Nanoscale changes to the cell wall during unmasking were explored in live cells with atomic force microscopy (AFM). Two mutants, the cho1 Delta/Delta and kre5 Delta/Delta mutants, were selected as representatives that exhibit modest and strong unmasking, respectively. Comparisons of the cho1 Delta/Delta and kre5 Delta/Delta mutants to the wild type reveal morphological changes in their cell walls that correlate with decreases in cell wall elasticity. In addition, AFM tips functionalized with Dectin-1 revealed that the forces of binding of Dectin-1 to all of the strains were similar, but the frequency of binding was highest for the kre5 Delta/Delta mutant, decreased for the cho1 Delta/Delta mutant, and rare for the wild type. These data show that nanoscale changes in surface topology are correlated with increased Dectin-1 adhesion and decreased cell wall elasticity. AFM, using tips functionalized with immunologically relevant molecules, can map epitopes of the cell wall and increase our understanding of pathogen recognition by the immune system.
C1 [Hasim, Sahar; Reynolds, Todd B.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA.
[Allison, David P.; Retterer, Scott T.; Doktycz, Mitchel J.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA.
[Allison, David P.] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN USA.
[Retterer, Scott T.; Doktycz, Mitchel J.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN USA.
[Hopke, Alex; Wheeler, Robert T.] Univ Maine, Dept Mol & Biomed Sci, Orono, ME USA.
RP Reynolds, TB (reprint author), Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA.
EM treynol6@utk.edu
FU U.S. DOE Office of Biological and Environmental Research Genomic Science
Program under the Plant-Microbe Interfaces Scientific Focus Area at Oak
Ridge National Laboratory; U.S. Department of Energy [DEAC0500OR22725];
University of Tennessee-Oak Ridge National Laboratory (UT-ORNL) Joint
Institute for Biological Sciences; NIAID [NIH-1 R01AL105690]
FX D.P.A., S.T.R., and M.J.D. acknowledge support from the U.S. DOE Office
of Biological and Environmental Research Genomic Science Program under
the Plant-Microbe Interfaces Scientific Focus Area at Oak Ridge National
Laboratory. Oak Ridge National Laboratory is managed by UT-Battelle,
LLC, for the U.S. Department of Energy under contract no.
DEAC0500OR22725. We gratefully acknowledge the support of the University
of Tennessee-Oak Ridge National Laboratory (UT-ORNL) Joint Institute for
Biological Sciences for this project. T.B.R. gratefully acknowledges
support from NIAID (NIH-1 R01AL105690).
NR 60
TC 0
Z9 0
U1 2
U2 2
PU AMER SOC MICROBIOLOGY
PI WASHINGTON
PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA
SN 0019-9567
EI 1098-5522
J9 INFECT IMMUN
JI Infect. Immun.
PD JAN
PY 2017
VL 85
IS 1
DI 10.1128/IAI.00601-16
PG 13
WC Immunology; Infectious Diseases
SC Immunology; Infectious Diseases
GA EL4RD
UT WOS:000394607700008
ER
PT J
AU Park, J
Tak, T
Kim, TK
Choe, J
Jeong, Y
Zhang, P
Lee, D
AF Park, Jinsu
Tak, Taewoo
Kim, T. K.
Choe, Jiwon
Jeong, Yongjin
Zhang, Peng
Lee, Deokjung
TI Design study of long-life small modular sodium-cooled fast reactor
SO INTERNATIONAL JOURNAL OF ENERGY RESEARCH
LA English
DT Article
DE long-life; small modular; sodium-cooled fast reactor; breed-and-burn;
core design
AB This paper presents a new design for a small modular sodium-cooled fast reactor core with an optimized lifetime and reactivity swing through the analysis of various breed-and-burn strategies and its neutronic analyses in terms of active core movements, isotopic mass balance, kinetic parameters, and inherent safety.
The new core design aims at a power level of 260MW with a long lifetime of 30 years without refueling and a reactivity swing smaller than 1000 pcm. Starting from five initial candidate cores with various breed-and-burn strategies, an optimum core was selected from a combination of the two candidates that shows a proper breeding behavior with the optimized uranium enrichment in the low-enriched uranium region and the optimized size of the blanket region.
The depletion analysis of the new core provides various reactor design parameters such as the core multiplication factor, breeding ratio, heavy metal mass change, power distribution, and summary of neutron balance. In addition, the perturbation analysis provides the reactor kinetic parameters and reactivity feedback coefficients for the inherent safety analysis of the core. The integral reactivity parameters of the quasi-static reactivity balance analysis demonstrate that the new core is inherently safe in cases of unprotected loss of flow, unprotected loss of heat sink, and unprotected transient over power. Copyright (C) 2016 John Wiley & Sons, Ltd.
C1 [Park, Jinsu; Tak, Taewoo; Choe, Jiwon; Jeong, Yongjin; Zhang, Peng; Lee, Deokjung] Ulsan Natl Inst Sci & Technol, UNIST Gil 50, Ulsan 689798, South Korea.
[Kim, T. K.] Argonne Natl Lab, 9700 South Cass Ave, Argonne, IL 60564 USA.
RP Lee, D (reprint author), Ulsan Natl Inst Sci & Technol, Sch Mech & Nucl Engn, UNIST Gil 50, Ulsan 689798, South Korea.
EM deokjung@unist.ac.kr
OI Tak, Taewoo/0000-0002-3230-8080
FU National Research Foundation of Korea (NRF) grant - Korea government
(MSIP) [NRF-2013M2A8A2078243]
FX This work was supported by National Research Foundation of Korea (NRF)
grant funded by the Korea government (MSIP) (no. NRF-2013M2A8A2078243).
NR 30
TC 0
Z9 0
U1 2
U2 2
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0363-907X
EI 1099-114X
J9 INT J ENERG RES
JI Int. J. Energy Res.
PD JAN
PY 2017
VL 41
IS 1
BP 139
EP 148
DI 10.1002/er.3609
PG 10
WC Energy & Fuels; Nuclear Science & Technology
SC Energy & Fuels; Nuclear Science & Technology
GA EL7ET
UT WOS:000394784600011
ER
PT J
AU Riska, DO
Schiavilla, R
AF Riska, D. O.
Schiavilla, R.
TI Chiral electroweak currents in nuclei
SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS
LA English
DT Article
DE Nuclear currents
ID MESON-EXCHANGE CURRENTS; EFFECTIVE-FIELD THEORY; CHARGE FORM-FACTORS;
TRITON BETA-DECAY; CROSS-SECTION; INDEPENDENCE BREAKING; DEUTERON
SCATTERING; PERTURBATION-THEORY; PARITY VIOLATION; NEUTRON-CAPTURE
AB The development of the chiral dynamics based description of nuclear electroweak currents is reviewed. Gerald E. (Gerry) Brown's role in basing theoretical nuclear physics on chiral Lagrangians is emphasized. Illustrative examples of the successful description of electroweak observables of light nuclei obtained from chiral effective field theory are presented.
C1 [Riska, D. O.] Finnish Soc Sci & Letters, Helsinki, Finland.
[Riska, D. O.] Cyprus Inst, Nicosia, Cyprus.
[Schiavilla, R.] Ctr Theory, Jefferson Lab, Newport News, VA USA.
[Schiavilla, R.] Old Dominion Univ, Dept Phys, Norfolk, VA USA.
RP Riska, DO (reprint author), Finnish Soc Sci & Letters, Helsinki, Finland.; Riska, DO (reprint author), Cyprus Inst, Nicosia, Cyprus.
EM riska@scientiarum.fi; schiavilla@jlab.org
FU U.S. Department of Energy [DE-AC05-06OR23177]
FX We wish to thank our collaborators A. Baroni, J. Carlson, L. Girlanda,
A. Kievsky, L. E. Marcucci, S. Pastore, M. Piarulli, S. C. Pieper, M.
Viviani and R. B. Wiringa for their many contributions to the work
presented here. The support of the U.S. Department of Energy under
contract DE-AC05-06OR23177 is also gratefully acknowledged.
NR 118
TC 0
Z9 0
U1 1
U2 1
PU WORLD SCIENTIFIC PUBL CO PTE LTD
PI SINGAPORE
PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE
SN 0218-3013
EI 1793-6608
J9 INT J MOD PHYS E
JI Int. J. Mod. Phys. E-Nucl. Phys.
PD JAN-FEB
PY 2017
VL 26
IS 1-2
AR 1740022
DI 10.1142/S0218301317400225
PG 29
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA EM1XO
UT WOS:000395110800025
ER
PT J
AU Strottman, DD
AF Strottman, D. D.
TI Validity of SU(3) in the 0p1f shell
SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS
LA English
DT Article
DE Nuclear shell model; SU(3) and SU(4) symmetries; 1p0f shells
ID LOW-LYING STATES; WIGNER COEFFICIENTS; FRACTIONAL PARENTAGE; RACAH
COEFFICIENTS; PARITY STATES; 2S-1D SHELL; MODEL; NUCLEI; MG-24; SU3
AB Complexities of using an SU(4) and SU(3) basis in the 1p0f shell are discussed. SU(3) representations are detailed for 2-5 particles. Earlier calculations by McGrory are discussed with the view of using the SU(3) model to describe multi-particle multi-hole states.
C1 [Strottman, D. D.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA.
[Strottman, D. D.] Goethe Univ Frankfurt, FIAS, Frankfurt, Germany.
RP Strottman, DD (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA.
NR 53
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Z9 0
U1 0
U2 0
PU WORLD SCIENTIFIC PUBL CO PTE LTD
PI SINGAPORE
PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE
SN 0218-3013
EI 1793-6608
J9 INT J MOD PHYS E
JI Int. J. Mod. Phys. E-Nucl. Phys.
PD JAN-FEB
PY 2017
VL 26
IS 1-2
AR 1740026
DI 10.1142/S0218301317400262
PG 8
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA EM1XO
UT WOS:000395110800030
ER
PT J
AU Tanizaki, Y
Hatsuda, T
AF Tanizaki, Yuya
Hatsuda, Tetsuo
TI Multi-regulator functional renormalization group for many-fermion
systems
SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS
LA English
DT Article
DE Fermionic functional renormalization group; BCS-BEC crossover
ID PERTURBATION-THEORY; SUPERCONDUCTIVITY; GAS
AB We propose a method of multi-regulator functional renormalization group (MR-FRG) which is a novel formulation of functional renormalization group with multiple infrared (IR) regulators. It is applied to a two-component fermionic system with an attractive contact interaction to study crossover phenomena between the Bardeen-Cooper-Schrieffer (BCS) phase and the Bose-Einstein condensation (BEC) phase. To control both the fermionic one-particle excitations and the bosonic collective excitations, IR regulators are introduced, one for the fermionic two-point function and another for the four-fermion vertex. It is shown that the Nozieres-Schmitt-Rink (NSR) theory, which is successful to capture qualitative features of the BCS-BEC crossover, can be derived from MR-FRG. Some aspects of MR-FRG to go beyond the NSR theory are also discussed.
C1 [Tanizaki, Yuya] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA.
[Hatsuda, Tetsuo] RIKEN, iTHES Res Grp, Wako, Saitama 3510198, Japan.
[Hatsuda, Tetsuo] RIKEN, Nishina Ctr, Wako, Saitama 3510198, Japan.
RP Tanizaki, Y (reprint author), Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA.
EM yuya.tanizaki@riken.jp; thatsuda@riken.jp
FU RIKEN iTHES project; Program for Leading Graduate Schools, MEXT, Japan;
National Science Foundation [PHY-1066293]; JSPS Research Fellowships for
Young Scientists
FX The authors are grateful for useful comments by Gergely Fejos. T. H.
thanks late Gerry Brown for his stimulating discussions on various
aspects of quantum many-body problems in nuclear, hadron, and particle
physics. Y. T. was supported by JSPS Research Fellowships for Young
Scientists. This work was partially supported by RIKEN iTHES project and
by the Program for Leading Graduate Schools, MEXT, Japan. This work was
completed at the Aspen Center for Physics, which is supported by
National Science Foundation Grant PHY-1066293.
NR 24
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PU WORLD SCIENTIFIC PUBL CO PTE LTD
PI SINGAPORE
PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE
SN 0218-3013
EI 1793-6608
J9 INT J MOD PHYS E
JI Int. J. Mod. Phys. E-Nucl. Phys.
PD JAN-FEB
PY 2017
VL 26
IS 1-2
AR 1740027
DI 10.1142/S0218301317400274
PG 16
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA EM1XO
UT WOS:000395110800031
ER
PT J
AU Maqbool, MS
Hoxley, D
Phillips, NW
Coughlan, HD
Darmanin, C
Johnson, BC
Harder, R
Clark, JN
Balaur, E
Abbey, B
AF Maqbool, Muhammad Salman
Hoxley, David
Phillips, Nicholas W.
Coughlan, Hannah D.
Darmanin, Connie
Johnson, Brett C.
Harder, Ross
Clark, Jesse N.
Balaur, Eugeniu
Abbey, Brian
TI Nanoscale mapping of the three-dimensional deformation field within
commercial nanodiamonds
SO INTERNATIONAL JOURNAL OF NANOTECHNOLOGY
LA English
DT Article
DE nanodiamonds; fluorescence; cellular tracking; 3D strain mapping; Bragg
coherent diffractive imaging; BCDI; biomarkers
ID FLUORESCENT NANODIAMONDS; DIFFRACTION; STRAIN; NITROGEN; DEFECTS;
PARTICLES
AB The unique properties of nanodiamonds make them suitable for use in a wide range of applications, including as biomarkers for cellular tracking in vivo at the molecular level. The sustained fluorescence of nanodiamonds containing nitrogen-vacancy (N-V) centres is related to their internal structure and strain state. Theoretical studies predict that the location of the N-V centre and the nanodiamonds' residual elastic strain state have a major influence on their photoluminescence properties. However, to date there have been no direct measurements made of their spatially resolved deformation fields owing to the challenges that such measurements present. Here we apply the recently developed technique of Bragg coherent diffractive imaging (BCDI) to map the three-dimensional deformation field within a single nanodiamond of approximately 0.5 mu m diameter. The results indicate that there are high levels of residual elastic strain present in the nanodiamond which could have a critical influence on its optical and electronic properties.
C1 [Maqbool, Muhammad Salman; Phillips, Nicholas W.; Coughlan, Hannah D.; Darmanin, Connie; Balaur, Eugeniu; Abbey, Brian] La Trobe Univ, La Trobe Inst Mol Sci, Dept Chem & Phys, ARC Ctr Excellence Adv Mol Imaging, Bundoora, Vic 3086, Australia.
[Hoxley, David] La Trobe Univ, La Trobe Inst Mol Sci, Dept Chem & Phys, Bundoora, Vic 3086, Australia.
[Johnson, Brett C.] Univ Melbourne, Sch Phys, ARC Ctr Excellence Quantum Comp & Commun Technol, Melbourne, Vic 3010, Australia.
[Harder, Ross] Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Clark, Jesse N.] SLAC Natl Accelerator Lab, Stanford PULSE Inst, Menlo Pk, CA 94205 USA.
[Clark, Jesse N.] Deutsch Elektronensynchrotron, Ctr Free Electron Laser Sci, D-22607 Hamburg, Germany.
[Abbey, Brian] Victorian Node Australian Natl Fabricat Facil, Melbourne Ctr Nanofabricat, Victoria 3086, Australia.
RP Abbey, B (reprint author), La Trobe Univ, La Trobe Inst Mol Sci, Dept Chem & Phys, ARC Ctr Excellence Adv Mol Imaging, Bundoora, Vic 3086, Australia.; Abbey, B (reprint author), Victorian Node Australian Natl Fabricat Facil, Melbourne Ctr Nanofabricat, Victoria 3086, Australia.
EM S.Maqbool@latrobe.edu.au; D.Hoxley@latrobe.edu.au;
Nicholas.Phillips@latrobe.edu.au; hdcoughlan@students.latrobe.edu.au;
C.Darmanin@latrobe.edu.au; johnsonb@unimelb.edu.au; rharder@aps.anl.gov;
jessenclark@gmail.com; E.Balaur@latrobe.edu.au; B.Abbey@latrobe.edu.au
FU Australian Research Council Centre of Excellence in Advanced Molecular
Imaging [CE140100011]; Argonne National Laboratory [DE-AC02-06CH11357];
Australian Government; Volkswagen Foundation
FX This work was performed in part at the Melbourne Centre for
Nanofabrication (MCN) in the Victorian Node of the Australian National
Fabrication Facility (ANFF). This work was supported by the Australian
Research Council Centre of Excellence in Advanced Molecular Imaging
(CE140100011). This research used resources of the Advanced Photon
Source, a U.S. Department of Energy (DOE) Office of Science User
Facility operated for the DOE Office of Science by Argonne National
Laboratory under Contract No. DE-AC02-06CH11357. We also acknowledge
travel funding provided by the International Synchrotron Access Program
(ISAP) managed by the Australian Synchrotron and funded by the
Australian Government. Jesse N. Clark gratefully acknowledges financial
support from the Volkswagen Foundation.
NR 32
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PU INDERSCIENCE ENTERPRISES LTD
PI GENEVA
PA WORLD TRADE CENTER BLDG, 29 ROUTE DE PRE-BOIS, CASE POSTALE 856, CH-1215
GENEVA, SWITZERLAND
SN 1475-7435
EI 1741-8151
J9 INT J NANOTECHNOL
JI Int. J. Nanotechnol.
PY 2017
VL 14
IS 1-6
SI SI
BP 251
EP 264
DI 10.1504/IJNT.2017.082471
PG 14
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
SC Science & Technology - Other Topics; Materials Science
GA EO1ZB
UT WOS:000396495300024
ER
PT J
AU Smith, AMS
Talhelm, AF
Johnson, DM
Sparks, AM
Kolden, CA
Yedinak, KM
Apostol, KG
Tinkham, WT
Abatzoglou, JT
Lutz, JA
Davis, AS
Pregitzer, KS
Adams, HD
Kremens, RL
AF Smith, Alistair M. S.
Talhelm, Alan F.
Johnson, Daniel M.
Sparks, Aaron M.
Kolden, Crystal A.
Yedinak, Kara M.
Apostol, Kent G.
Tinkham, Wade T.
Abatzoglou, John T.
Lutz, James A.
Davis, Anthony S.
Pregitzer, Kurt S.
Adams, Henry D.
Kremens, Robert L.
TI Effects of fire radiative energy density dose on Pinus contorta and
Larix occidentalis seedling physiology and mortality
SO INTERNATIONAL JOURNAL OF WILDLAND FIRE
LA English
DT Article
DE carbon; FRED; intensity; photosynthesis; recovery; severity
ID YOSEMITE-NATIONAL-PARK; PONDEROSA PINE; PRESCRIBED FIRE; CLIMATE-CHANGE;
UNITED-STATES; POSTFIRE MORTALITY; PACIFIC-NORTHWEST; QUERCUS SEEDLINGS;
FUEL CONSUMPTION; GAS-EXCHANGE
AB Climate change is projected to exacerbate the intensity of heat waves and drought, leading to a greater incidence of large and high-intensity wildfires in forested ecosystems. Predicting responses of seedlings to such fires requires a process-based understanding of how the energy released during fires affects plant physiology and mortality. Understanding what fire `doses' cause seedling mortality is important for maintaining grasslands or promoting establishment of desirable plant species. We conducted controlled laboratory combustion experiments on replicates of well-watered nursery-grown seedlings. We evaluated the growth, mortality and physiological response of Larix occidentalis and Pinus contorta seedlings to increasing fire radiative energy density (FRED) doses created using natural fuels with known combustion properties. We observed a general decline in the size and physiological performance of both species that scaled with increasing FRED dose, including decreases in leaf-level photosynthesis, seedling leaf area and diameter at root collar. Greater FRED dose increased the recovery time of chlorophyll fluorescence in the remaining needles. This study provides preliminary data on what level of FRED causes mortality in these two species, which can aid land managers in identifying strategies to maintain (or eliminate) woody seedlings of interest.
C1 [Smith, Alistair M. S.; Talhelm, Alan F.; Johnson, Daniel M.; Sparks, Aaron M.; Kolden, Crystal A.; Yedinak, Kara M.; Davis, Anthony S.; Pregitzer, Kurt S.] Univ Idaho, Coll Nat Resources, Moscow, ID 83844 USA.
[Talhelm, Alan F.] US EPA, Oak Ridge Inst Sci Educ, Natl Ctr Environm Assessment, Res Triangle Pk, NC USA.
[Apostol, Kent G.] Univ Arizona, Coll Agr & Life Sci, Payson, AZ 85541 USA.
[Tinkham, Wade T.] Colorado State Univ, Warner Coll Nat Resources, Ft Collins, CO 80523 USA.
[Abatzoglou, John T.] Univ Idaho, Coll Sci, Moscow, ID 83844 USA.
[Lutz, James A.] Utah State Univ, Wildland Resources, Logan, UT 84322 USA.
[Adams, Henry D.] Oklahoma State Univ, Dept Bot, 104 Life Sci Bldg East, Stillwater, OK 74078 USA.
[Kremens, Robert L.] Rochester Inst Technol, Carlson Ctr Imaging Sci, New York, NY 14623 USA.
RP Smith, AMS (reprint author), Univ Idaho, Coll Nat Resources, Moscow, ID 83844 USA.
EM alistair@uidaho.edu
FU National Science Foundation [1520873, IIA-1301792, IOS-1146751];
National Aeronautics and Space Administration (NASA) [NNX11AO24G]; Idaho
Space Grant Consortium
FX Smith, Talhelm, Johnson and Sparks contributed equally to this paper.
Smith, Sparks, Kolden, Abatzoglou and Yedinak were funded by the
National Science Foundation under award 1520873. Smith was partially
funded by the National Aeronautics and Space Administration (NASA) under
award NNX11AO24G and the National Science Foundation under award
IIA-1301792. Alan Talhelm and Kurt Pregitzer were partially supported by
the National Science Foundation under award DEB-1251441. Daniel Johnson
was partially supported by an award from the National Science Foundation
under award IOS-1146751. Sparks was additionally funded through the
Idaho Space Grant Consortium. The views expressed in this paper are
those of the authors and do not necessarily represent the views or
policies of the USA Environmental Protection Agency.
NR 90
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PU CSIRO PUBLISHING
PI CLAYTON
PA UNIPARK, BLDG 1, LEVEL 1, 195 WELLINGTON RD, LOCKED BAG 10, CLAYTON, VIC
3168, AUSTRALIA
SN 1049-8001
EI 1448-5516
J9 INT J WILDLAND FIRE
JI Int. J. Wildland Fire
PY 2017
VL 26
IS 1
BP 82
EP 94
DI 10.1071/WF16077
PG 13
WC Forestry
SC Forestry
GA EK8EG
UT WOS:000394156100008
ER
PT J
AU Sparks, AM
Smith, AMS
Talhelm, AF
Kolden, CA
Yedinak, KM
Johnson, DM
AF Sparks, Aaron M.
Smith, Alistair M. S.
Talhelm, Alan F.
Kolden, Crystal A.
Yedinak, Kara M.
Johnson, Daniel M.
TI Impacts of fire radiative flux on mature Pinus ponderosa growth and
vulnerability to secondary mortality agents
SO INTERNATIONAL JOURNAL OF WILDLAND FIRE
LA English
DT Article
DE conifers; fire behaviour; fire severity; post-fire impacts.
ID POSTFIRE TREE MORTALITY; BARK BEETLES; PRESCRIBED-FIRE; RESTORATION
TREATMENTS; MODIS OBSERVATIONS; FUEL CONSUMPTION; WESTERN MONTANA;
ENERGY DENSITY; FOREST-FIRES; SEVERITY
AB Recent studies have highlighted the potential of linking fire behaviour to plant ecophysiology as an improved route to characterising severity, but research to date has been limited to laboratory-scale investigations. Fine-scale fire behaviour during prescribed fires has been identified as a strong predictor of post-fire tree recovery and growth, but most studies report these metrics averaged over the entire fire. Previous research has found inconsistent effects of low-intensity fire on mature Pinus ponderosa growth. In this study, fire behaviour was quantified at the tree scale and compared with post-fire radial growth and axial resin duct defences. Results show a clear dose-response relationship between peak fire radiative power per unit area (Wm(-2)) and post-fire Pinus ponderosa radial growth. Unlike in previous laboratory research on seedlings, there was no dose-response relationship observed between fire radiative energy per unit area ( J m(-2)) and post-fire mature tree growth in the surviving trees. These results may suggest that post-fire impacts on growth of surviving seedlings and mature trees require other modes of heat transfer to impact plant canopies. This study demonstrates that increased resin duct defence is induced regardless of fire intensity, which may decrease Pinus ponderosa vulnerability to secondary mortality agents.
C1 [Sparks, Aaron M.; Smith, Alistair M. S.; Talhelm, Alan F.; Kolden, Crystal A.; Yedinak, Kara M.; Johnson, Daniel M.] Univ Idaho, Dept Forest Rangeland & Fire Sci, Moscow, ID 83844 USA.
[Talhelm, Alan F.] US EPA, Oak Ridge Inst Sci Educ, Natl Ctr Environm Assessment, Res Triangle Pk, NC USA.
RP Sparks, AM (reprint author), Univ Idaho, Dept Forest Rangeland & Fire Sci, Moscow, ID 83844 USA.
EM spar5010@vandals.uidaho.edu
FU National Science Foundation under Hazards Science, Engineering and
Educationfor Sustainability award [1520873]; Idaho Space Grant
Consortium; Joint Fire Science Program GRIN Award [16-2-01-09,
13-1-05-7]; National Institute of Food and Agriculture, USDA, McIntire
Stennis project [1004149]; Idaho Experimental Program to Stimulate
Competitive Research; National Science Foundation [IIA-1301792]
FX Partial funding for this research for Sparks, Kolden and Smith was
provided by the National Science Foundation under Hazards Science,
Engineering and Education for Sustainability award no. 1520873. Sparks
was additionally funded through the Idaho Space Grant Consortium and
Joint Fire Science Program GRIN Award 16-2-01-09 and Award 13-1-05-7.
This work is based on work that is partially supported by the National
Institute of Food and Agriculture, USDA, McIntire Stennis project under
1004149. Smith was partially supported by the Idaho Experimental Program
to Stimulate Competitive Research and by the National Science Foundation
under award number IIA-1301792. The views expressed in this paper are
those of the authors and do not necessarily reflect the views or
policies of the US Environmental Protection Agency.
NR 66
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PU CSIRO PUBLISHING
PI CLAYTON
PA UNIPARK, BLDG 1, LEVEL 1, 195 WELLINGTON RD, LOCKED BAG 10, CLAYTON, VIC
3168, AUSTRALIA
SN 1049-8001
EI 1448-5516
J9 INT J WILDLAND FIRE
JI Int. J. Wildland Fire
PY 2017
VL 26
IS 1
BP 95
EP 106
DI 10.1071/WF16139
PG 12
WC Forestry
SC Forestry
GA EK8EG
UT WOS:000394156100009
ER
PT J
AU Campione, S
Warne, LK
Basilio, LI
Turner, CD
Cartwright, KL
Chen, KC
AF Campione, Salvatore
Warne, Larry K.
Basilio, Lorena I.
Turner, C. David
Cartwright, Keith L.
Chen, Kenneth C.
TI Electromagnetic pulse excitation of finite- and infinitely-long lossy
conductors over a lossy ground plane
SO JOURNAL OF ELECTROMAGNETIC WAVES AND APPLICATIONS
LA English
DT Article
DE Transmission line theory; EMP excitation; finite; infinite wires over
conducting grounds; lossy metals
ID THIN WIRE; TRANSMISSION-LINE; WAVE-PROPAGATION; HORIZONTAL WIRE; EARTH;
SCATTERING; FREQUENCY; INTERFACE; PARALLEL; CURRENTS
AB This paper details a model for the response of a finite- or an infinite-length wire interacting with a conducting ground to an electromagnetic pulse excitation. We develop a frequency-domain method based on transmission line theory that we name ATLOG - Analytic Transmission Line Over Ground. This method is developed as an alternative to full-wave methods, as it delivers a fast and reliable solution. It allows for the treatment of finite or infinite lossy, coated wires, and lossy grounds. The cases of wire above ground, as well as resting on the ground and buried beneath the ground are treated. The reported method is general and the time response of the induced current is obtained using an inverse Fourier transform of the current in the frequency domain. The focus is on the characteristics and propagation of the transmission line mode. Comparisons with full-wave simulations strengthen the validity of the proposed method.
C1 [Campione, Salvatore; Warne, Larry K.; Basilio, Lorena I.; Turner, C. David; Cartwright, Keith L.; Chen, Kenneth C.] Sandia Natl Labs, Electromagnet Theory Dept, POB 5800, Albuquerque, NM 87185 USA.
RP Campione, S; Warne, LK (reprint author), Sandia Natl Labs, Electromagnet Theory Dept, POB 5800, Albuquerque, NM 87185 USA.
EM sncampi@sandia.gov; lkwarne@sandia.gov
FU Sandia Corporation; Lockheed Martin Corporation; U.S. Department of
Energy's National Nuclear Security Administration [DE-AC04-94AL85000];
Defense Threat Reduction Agency [HDTRA-16-19857]
FX This work was supported in part by Sandia Corporation, a wholly owned
subsidiary of Lockheed Martin Corporation, for the U.S. Department of
Energy's National Nuclear Security Administration under [contract number
DE-AC04-94AL85000]. This work was also supported in part by The Defense
Threat Reduction Agency under [contract number HDTRA-16-19857].
NR 43
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U2 0
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 0920-5071
EI 1569-3937
J9 J ELECTROMAGNET WAVE
JI J. Electromagn. Waves Appl.
PY 2017
VL 31
IS 2
BP 209
EP 224
DI 10.1080/09205071.2016.1270776
PG 16
WC Engineering, Electrical & Electronic; Physics, Applied
SC Engineering; Physics
GA EL9AD
UT WOS:000394910600005
ER
PT J
AU Atanov, N
Baranov, V
Budagov, J
Cervelli, F
Colao, F
Cordelli, M
Corradi, G
Dane, E
Davydov, YI
Di Falco, S
Diociaiuti, E
Donati, S
Donghia, R
Echenard, B
Flood, K
Giovannella, S
Glagolev, V
Grancagnolo, F
Happacher, F
Hitlin, DG
Martini, M
Miscetti, S
Miyashita, T
Morescalchi, L
Murat, P
Pezzullo, G
Porter, F
Raffaelli, F
Radicioni, T
Ricci, M
Saputi, A
Sarra, I
Spinella, F
Tassielli, G
Tereshchenko, V
Usubov, Z
Zhu, RY
AF Atanov, N.
Baranov, V.
Budagov, J.
Cervelli, F.
Colao, F.
Cordelli, M.
Corradi, G.
Dane, E.
Davydov, Y. I.
Di Falco, S.
Diociaiuti, E.
Donati, S.
Donghia, R.
Echenard, B.
Flood, K.
Giovannella, S.
Glagolev, V.
Grancagnolo, F.
Happacher, F.
Hitlin, D. G.
Martini, M.
Miscetti, S.
Miyashita, T.
Morescalchi, L.
Murat, P.
Pezzullo, G.
Porter, F.
Raffaelli, F.
Radicioni, T.
Ricci, M.
Saputi, A.
Sarra, I.
Spinella, F.
Tassielli, G.
Tereshchenko, V.
Usubov, Z.
Zhu, R. Y.
TI The calorimeter of the Mu2e experiment at Fermilab
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article; Proceedings Paper
CT 14th Topical Seminar on Innovative Particle and Radiation Detectors
CY OCT 03-06, 2016
CL Siena, ITALY
DE Calorimeters; Radiation-hard detectors
AB The Mu2e experiment at Fermilab looks for Charged Lepton Flavor Violation (CLFV) improving by 4 orders of magnitude the current experimental sensitivity for the muon to electron conversion in a muonic atom. A positive signal could not be explained in the framework of the current Standard Model of particle interactions and therefore would be a clear indication of new physics. In 3 years of data taking, Mu2e is expected to observe less than one background event mimicking the electron coming from muon conversion. Achieving such a level of background suppression requires a deep knowledge of the experimental apparatus: a straw tube tracker, measuring the electron momentum and time, a cosmic ray veto system rejecting most of cosmic ray background and a pure CsI crystal calorimeter, that will measure time of flight, energy and impact position of the converted electron. The calorimeter has to operate in a harsh radiation environment, in a 10(-4) Torr vacuum and inside a 1 T magnetic field. The results of the first qualification tests of the calorimeter components are reported together with the energy and time performances expected from the simulation and measured in beam tests of a small scale prototype.
C1 [Atanov, N.; Baranov, V.; Budagov, J.; Glagolev, V.; Tereshchenko, V.; Usubov, Z.] Joint Inst Nucl Res, Dubna, Russia.
[Colao, F.; Cordelli, M.; Corradi, G.; Dane, E.; Diociaiuti, E.; Donghia, R.; Giovannella, S.; Happacher, F.; Martini, M.; Miscetti, S.; Ricci, M.; Saputi, A.; Sarra, I.] Ist Nazl Fis Nucl, Lab Nazl Frascati, Frascati, Italy.
[Echenard, B.; Flood, K.; Hitlin, D. G.; Miyashita, T.; Porter, F.; Zhu, R. Y.] CALTECH, Pasadena, CA 91125 USA.
[Martini, M.] Univ Guglielmo Marconi, Rome, Italy.
[Cervelli, F.; Di Falco, S.; Donati, S.; Morescalchi, L.; Pezzullo, G.; Raffaelli, F.; Radicioni, T.; Spinella, F.] Ist Nazl Fis Nucl, Sez Pisa, Pisa, Italy.
[Morescalchi, L.] Univ Siena, Dipartimento Fis, Siena, Italy.
[Donati, S.] Univ Pisa, Dipartimento Fis, Pisa, Italy.
[Murat, P.] Fermi Natl Lab, Batavia, IL USA.
[Tassielli, G.] Ist Nazl Fis Nucl, Sez Lecce, Lecce, Italy.
[Diociaiuti, E.] Univ Roma Tor Vergata, Dipartimento Fis, Rome, Italy.
[Donghia, R.] Univ Roma Tre, Dipartimento Fis, Rome, Italy.
RP Di Falco, S (reprint author), Ist Nazl Fis Nucl, Sez Pisa, Pisa, Italy.
EM stefano.difalco@pi.infn.it
OI Giovannella, Simona/0000-0002-6243-1215; Pezzullo,
Gianantonio/0000-0002-6653-1555
FU EU Horizon Research and Innovation Programme under the Marie
Sklodowska-Curie Grant [690835]
FX This work was supported by the EU Horizon 2020 Research and Innovation
Programme under the Marie Sklodowska-Curie Grant Agreement No. 690835.
NR 6
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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 2017
VL 12
AR C01061
DI 10.1088/1748-0221/12/01/C01061
PG 11
WC Instruments & Instrumentation
SC Instruments & Instrumentation
GA EN1KG
UT WOS:000395768300061
ER
PT J
AU Gkountoumis, P
AF Gkountoumis, P.
CA ATLAS Muon Collaboration
TI Electronics design and system integration of the ATLAS New Small Wheels
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article; Proceedings Paper
CT 14th Topical Seminar on Innovative Particle and Radiation Detectors
CY OCT 03-06, 2016
CL Siena, ITALY
DE Data acquisition circuits; Digital electronic circuits; Front-end
electronics for detector readout; Radiation-hard electronics
AB The upgrades of the Large Hadron Collider (LHC) at CERN and the experiments in 2019/20 and 2024/26 will allow to increase the instantaneous luminosity to L = 2 x 10(34) cm(-2)s(-1) and L = 5 7 x 10(34) cm(-2)s(-1), respectively. For the High Luminosity (HL) HL-LHC phase, the expected mean number of interactions per bunch crossing will be 55 at L = 2 x 10(34) cm(-2)s(-1) and 140 at L = 5 x 10(34) cm(-2)s(-1). This increase drastically impacts the ATLAS trigger system and trigger rates. For the ATLAS Muon Spectrometer, a replacement of the innermost endcap stations, the so-called "Small Wheels", which are operating in a magnetic field, is therefore planned for 2019/20 to be able to maintain a low pT threshold for single muons and excellent tracking capability in the HL-LHC regime. The New Small Wheels will feature two new detector technologies: resistive Micromegas and small strip Thin Gap Chambers comprising a system of 2.4 million readout channels. Both detector technologies will provide trigger and tracking primitives fully compliant with the post-2026 HL-LHC operation. To allow for some safety margin, the design studies assume a maximum instantaneous luminosity of L = 7 x 10(34) cm(-2)s(-1), 200 pile-up events, trigger rates of 1 MHz at Level-0 and 400 KHz at Level-1. A radiation dose of 1700 Gy (innermost radius) is expected. The on-detector electronics will be implemented on some 8000 boards; four different custom ASICs will be used. The large number of readout channels, high speed output data rate, harsh radiation and magnetic environment, small available space, poor access and low power consumption all impose great challenges for the system design. The overall design and first results from integration of the electronics in a vertical slice test will be presented.
C1 [Gkountoumis, P.] Natl Tech Univ Athens, Heroon Polytech 9, Zografos, Greece.
Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Gkountoumis, P (reprint author), Natl Tech Univ Athens, Heroon Polytech 9, Zografos, Greece.
EM pgkounto@cern.ch
NR 15
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Z9 0
U1 1
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 1748-0221
J9 J INSTRUM
JI J. Instrum.
PD JAN
PY 2017
VL 12
AR C01088
DI 10.1088/1748-0221/12/01/C01088
PG 11
WC Instruments & Instrumentation
SC Instruments & Instrumentation
GA EN1KG
UT WOS:000395768300088
ER
PT J
AU Kocian, M
AF Kocian, M.
CA ATLAS Collaboration
TI Readout and trigger for the AFP detector at ATLAS experiment
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article; Proceedings Paper
CT Topical Workshop on Electronics for Particle Physics
CY SEP 26-30, 2016
CL Karlsruhe Inst Technol, Karlsruhe, GERMANY
HO Karlsruhe Inst Technol
DE Data acquisition circuits; Data acquisition concepts
AB AFP, the ATLAS Forward Proton consists of silicon detectors at 205 m and 217 m on each side of ATLAS. In 2016 two detectors in one side were installed. The FEI4 chips are read at 160 Mbps over the optical fibers. The DAQ system uses a FPGA board with Artix chip and a mezzanine card with RCE data processing module based on a Zynq chip with ARM processor running ArchLinux. In this contribution we give an overview of the AFP detector with the commissioning steps taken to integrate with the ATLAS TDAQ. Furthermore first performance results are presented.
C1 [Kocian, M.; ATLAS Collaboration] SLAC, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA.
RP Kocian, M (reprint author), SLAC, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA.
EM kocian@slac.stanford.edu
NR 9
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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 2017
VL 12
AR C01077
DI 10.1088/1748-0221/12/01/C01077
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WC Instruments & Instrumentation
SC Instruments & Instrumentation
GA EN1KG
UT WOS:000395768300077
ER
PT J
AU Nomerotski, A
Chakaberi, I
Fisher-Levine, M
Janoska, Z
Takacs, P
Tsang, T
AF Nomerotski, Andrei
Chakaberi, I.
Fisher-Levine, M.
Janoska, Z.
Takacs, P.
Tsang, T.
TI Characterization of TimepixCam, a fast imager for the time-stamping of
optical photons
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article; Proceedings Paper
CT 18th International Workshop on Radiation Imaging Detectors
CY JUL 03-07, 2016
CL Barcelona, SPAIN
DE Photon detectors for UV; visible and IR photons ( solid-state);
Pixelated detectors and associated VLSI electronics; Timing detectors
AB We describe the characterization of TimepixCam, a novel camera used to time-stamp optical photons. The camera employs a specialized silicon sensor with a thin entrance window, read out by a TimepixASIC. TimepixCam is able to record and time-stamp light flashes exceeding 1,000 photons with 15 ns time resolution. Specially produced photodiodes were used to evaluate the quantum efficiency, which was determined to be higher than 90% in the wavelength range of 430-900 nm. The quantum efficiency, sensitivity and ion detection efficiency were compared for a variety of sensors with different surface treatments. Sensors with the thinnest window, 50 nm, had the best performance.
C1 [Nomerotski, Andrei; Chakaberi, I.; Fisher-Levine, M.; Takacs, P.; Tsang, T.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Janoska, Z.] Czech Tech Univ, Fac Nucl Sci & Phys Engn, Brehova 7, CR-11519 Prague, Czech Republic.
[Janoska, Z.] Czech Tech Univ, Fac Elect Engn, Tech 2, Prague 16627, Czech Republic.
RP Nomerotski, A (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM anomerotski@bnl.gov
FU BNL LDRD grant [13-006]
FX The authors are grateful to Giulio Pellegrini and David Quirion from CNM
for their help with the photodiodes; and to Victor Sanchez and Albert
Sancho from X-Ray Imatek for their help with the XRI UNO camera. This
work was supported by the BNL LDRD grant 13-006.
NR 13
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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 2017
VL 12
AR C01017
DI 10.1088/1748-0221/12/01/C01017
PG 9
WC Instruments & Instrumentation
SC Instruments & Instrumentation
GA EN1KG
UT WOS:000395768300017
ER
PT J
AU Otfinowski, P
Maj, P
Deptuch, G
Fahim, F
Hoff, J
AF Otfinowski, P.
Maj, P.
Deptuch, G.
Fahim, F.
Hoff, J.
TI Comparison of allocation algorithms for unambiguous registration of hits
in presence of charge sharing in pixel detectors
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article; Proceedings Paper
CT 18th International Workshop on Radiation Imaging Detectors
CY JUL 03-07, 2016
CL Barcelona, SPAIN
DE Electronic detector readout concepts (solid-state); Pattern recognition;
cluster finding; calibration and fitting methods; Simulation methods and
programs
AB Charge sharing is the fractional collection of the charge cloud generated in a detector by two or more adjacent pixels. It may lead to excessive or inefficient registration of hits comparing to the number of impinging photons depending on how discrimination thresholds are set in typical photon counting pixel detector. The problems are particularly exposed for fine pixel sizes and/or for thick planar detectors. Presence of charge sharing is one of the limiting factors that discourages decreasing sizes of pixels in photon counting mode X-ray radiation imaging systems. Currently, a few different approaches tackling with the charge sharing problem exist (e.g. Medipix3RX, PIXIE, miniVIPIC or PIX45). The general idea is, first, to reconstruct the entire signal from adjacent pixels and, secondly, to allocate the hit to a single pixel. This paper focuses on the latter part of the process, i.e. on a comparison of how different hit allocation algorithms affect the spatial accuracy and false registration vs. missed hit probability. Different hit allocation algorithms were simulated, including standard photon counting (no full signal reconstruction) and the C8P1 algorithm. Also, a novel approach, based on a detection of patterns, with significantly limited analog signal processing, was proposed and characterized.
C1 [Otfinowski, P.; Maj, P.; Deptuch, G.] AGH Univ Sci & Technol, Dept Measurement & Elect, 30 Mickiewicza Av, Krakow, Poland.
[Deptuch, G.; Fahim, F.; Hoff, J.] Fermilab Natl Accelerator Lab, Kirk Rd & Pine St, Batavia, IL USA.
RP Otfinowski, P (reprint author), AGH Univ Sci & Technol, Dept Measurement & Elect, 30 Mickiewicza Av, Krakow, Poland.
EM potfin@agh.edu.pl
FU National Science Center [DEC-2014/13/B/ST7/01168]
FX This work was supported by National Science Center, under contract no.
DEC-2014/13/B/ST7/01168.
NR 7
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J9 J INSTRUM
JI J. Instrum.
PD JAN
PY 2017
VL 12
AR C01027
DI 10.1088/1748-0221/12/01/C01027
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SC Instruments & Instrumentation
GA EN1KG
UT WOS:000395768300027
ER
PT J
AU Renner, J
Farbin, A
Vidal, JM
Benlloch-Rodriguez, JM
Botas, A
Ferrario, P
Gomez-Cadenas, JJ
Alvarez, V
Azevedo, CDR
Borges, FIG
Carcel, S
Carrion, JV
Cebrian, S
Cervera, A
Conde, CAN
Diaz, J
Diesburg, M
Esteve, R
Fernandes, LMP
Ferreira, AL
Freitas, EDC
Goldschmidt, A
Gonzalez-Diaz, D
Gutierrez, RM
Hauptman, J
Henriques, CAO
Morata, JAH
Herrero, V
Jones, B
Labarga, L
Laing, A
Lebrun, P
Liubarsky, I
Lopez-March, N
Lorca, D
Losada, M
Martin-Albo, J
Martinez-Lema, G
Martinez, A
Monrabal, F
Monteiro, CMB
Mora, FJ
Moutinho, LM
Nebot-Guinot, M
Novella, P
Nygren, D
Palmeiro, B
Para, A
Perez, J
Querol, M
Ripoll, L
Rodriguez, J
Santos, FP
dos Santos, JMF
Serra, L
Shuman, D
Simon, A
Sofka, C
Sorel, M
Toledo, JF
Torrent, J
Tsamalaidze, Z
Veloso, JFCA
White, J
Webb, R
Yahlali, N
Yepes-Ramirez, H
AF Renner, J.
Farbin, A.
Munoz Vidal, J.
Benlloch-Rodriguez, J. M.
Botas, A.
Ferrario, P.
Gomez-Cadenas, J. J.
Alvarez, V.
Azevedo, C. D. R.
Borges, F. I. G.
Carcel, S.
Carrion, J. V.
Cebrian, S.
Cervera, A.
Conde, C. A. N.
Diaz, J.
Diesburg, M.
Esteve, R.
Fernandes, L. M. P.
Ferreira, A. L.
Freitas, E. D. C.
Goldschmidt, A.
Gonzalez-Diaz, D.
Gutierrez, R. M.
Hauptman, J.
Henriques, C. A. O.
Hernando Morata, J. A.
Herrero, V.
Jones, B.
Labarga, L.
Laing, A.
Lebrun, P.
Liubarsky, I.
Lopez-March, N.
Lorca, D.
Losada, M.
Martin-Albo, J.
Martinez-Lema, G.
Martinez, A.
Monrabal, F.
Monteiro, C. M. B.
Mora, F. J.
Moutinho, L. M.
Nebot-Guinot, M.
Novella, P.
Nygren, D.
Palmeiro, B.
Para, A.
Perez, J.
Querol, M.
Ripoll, L.
Rodriguez, J.
Santos, F. P.
dos Santos, J. M. F.
Serra, L.
Shuman, D.
Simon, A.
Sofka, C.
Sorel, M.
Toledo, J. F.
Torrent, J.
Tsamalaidze, Z.
Veloso, J. F. C. A.
White, J.
Webb, R.
Yahlali, N.
Yepes-Ramirez, H.
CA NEXT Collaboration
TI Background rejection in NEXT using deep neural networks
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article
DE Analysis and statistical methods; Pattern recognition; cluster finding;
calibration and fitting methods; Double-beta decay detectors; Time
projection chambers
ID DOUBLE-BETA DECAY
AB We investigate the potential of using deep learning techniques to reject background events in searches for neutrinoless double beta decay with high pressure xenon time projection chambers capable of detailed track reconstruction. The differences in the topological signatures of background and signal events can be learned by deep neural networks via training over many thousands of events. These networks can then be used to classify further events as signal or background, providing an additional background rejection factor at an acceptable loss of efficiency. The networks trained in this study performed better than previous methods developed based on the use of the same topological signatures by a factor of 1.2 to 1.6, and there is potential for further improvement.
C1 [Renner, J.; Munoz Vidal, J.; Benlloch-Rodriguez, J. M.; Botas, A.; Ferrario, P.; Gomez-Cadenas, J. J.; Alvarez, V.; Carcel, S.; Carrion, J. V.; Cervera, A.; Diaz, J.; Laing, A.; Liubarsky, I.; Lopez-March, N.; Lorca, D.; Martinez, A.; Monrabal, F.; Nebot-Guinot, M.; Novella, P.; Palmeiro, B.; Querol, M.; Rodriguez, J.; Serra, L.; Simon, A.; Sorel, M.; Yahlali, N.] CSIC, Inst Fis Corpuscular IFIC, Calle Catedrat Jose Beltran 2, Valencia 46980, Spain.
[Renner, J.; Munoz Vidal, J.; Benlloch-Rodriguez, J. M.; Botas, A.; Ferrario, P.; Gomez-Cadenas, J. J.; Alvarez, V.; Carcel, S.; Carrion, J. V.; Cervera, A.; Diaz, J.; Laing, A.; Liubarsky, I.; Lopez-March, N.; Lorca, D.; Martinez, A.; Monrabal, F.; Nebot-Guinot, M.; Novella, P.; Palmeiro, B.; Querol, M.; Rodriguez, J.; Serra, L.; Simon, A.; Sorel, M.; Yahlali, N.] Univ Valencia, Calle Catedrat Jose Beltran 2, Valencia 46980, Spain.
[Farbin, A.; Jones, B.; Nygren, D.] Univ Texas Arlington, 701 S Nedderman Dr, Arlington, TX 76019 USA.
[Borges, F. I. G.; Conde, C. A. N.; Fernandes, L. M. P.; Freitas, E. D. C.; Henriques, C. A. O.; Monteiro, C. M. B.; Santos, F. P.; dos Santos, J. M. F.] Univ Coimbra, Dept Fis, Rua Larga, P-3004516 Coimbra, Portugal.
[Cebrian, S.] Univ Zaragoza, Lab Fis Nucl & Astroparticulas, Calle Pedro Cerbuna 12, E-50009 Zaragoza, Spain.
[Goldschmidt, A.; Shuman, D.] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Esteve, R.; Herrero, V.; Mora, F. J.; Toledo, J. F.] Univ Politecn Valencia, I3M, Camino Vera S-N,Edificio 8B, E-46022 Valencia, Spain.
[Tsamalaidze, Z.] Joint Inst Nucl Res, Joliot Curie 6, Dubna 141980, Russia.
[Azevedo, C. D. R.; Ferreira, A. L.; Moutinho, L. M.; Veloso, J. F. C. A.] Univ Aveiro, i3N, Campus Santiago, P-3810193 Aveiro, Portugal.
[Gutierrez, R. M.; Losada, M.; Yepes-Ramirez, H.] Univ Antonio Narino, Ctr Invest, Carretera 3 Este 47A-15, Bogota, Colombia.
[Hauptman, J.] Iowa State Univ, Dept Phys & Astron, 12 Phys Hall, Ames, IA 50011 USA.
[Hernando Morata, J. A.; Martinez-Lema, G.] Univ Santiago de Compostela, IGFAE, Campus Sur,Rua Xose Maria Suarez Nunez S-N, Santiago De Compostela 15782, Spain.
[Labarga, L.; Perez, J.] Univ Autonoma Madrid, Dept Fis Teor, Ciudad Univ Cantoblanco, E-28049 Madrid, Spain.
Univ Politecn Valencia, Dept Mecan Medios Continuos & Teoria Estruct, Camino Vera S-N, Valencia 46071, Spain.
[Ripoll, L.; Torrent, J.] Univ Girona, Escola Politecn Super, Av Montilivi S-N, Girona 17071, Spain.
[White, J.; Webb, R.] Texas A&M Univ, Dept Phys & Astron, College Stn, TX 77843 USA.
[Diesburg, M.; Lebrun, P.; Para, A.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
[Gonzalez-Diaz, D.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland.
[Martin-Albo, J.] Univ Oxford, Dept Phys, Denys Wilkinson Bldg,Keble Rd, Oxford OX1 3RH, England.
RP Renner, J (reprint author), CSIC, Inst Fis Corpuscular IFIC, Calle Catedrat Jose Beltran 2, Valencia 46980, Spain.
EM jrenner@ific.uv.es
OI Azevedo, Carlos/0000-0002-0012-9918; Veloso, Joao/0000-0002-7107-7203
FU European Research Council (ERC) [339787-NEXT]; Ministerio de Economia y
Competitividad of Spain [CSD2008-0037, FIS2014-53371-C04,
SEV-2014-0398]; FEDER [CSD2008-0037, FIS2014-53371-C04, SEV-2014-0398];
GVA [PROMETEO/2016/120]; United States Department of Energy
[DE-AC02-07CH11359]; Fulbright Junior Research Award
FX The NEXT Collaboration acknowledges support from the following agencies
and institutions: the European Research Council (ERC) under the Advanced
Grant 339787-NEXT; the Ministerio de Economia y Competitividad of Spain
and FEDER under grants CONSOLIDER-Ingenio 2010 CSD2008-0037 (CUP),
FIS2014-53371-C04 and the Severo Ochoa Program SEV-2014-0398; GVA under
grant PROMETEO/2016/120. Fermilab is operated by Fermi Research
Alliance, LLC under Contract No. DE-AC02-07CH11359 with the United
States Department of Energy. JR acknowledges support from a Fulbright
Junior Research Award.
NR 29
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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 2017
VL 12
AR T01004
DI 10.1088/1748-0221/12/01/T01004
PG 21
WC Instruments & Instrumentation
SC Instruments & Instrumentation
GA EN1KZ
UT WOS:000395770200004
ER
PT J
AU Strobbe, N
AF Strobbe, N.
CA CMS Collaboration
TI The upgrade of the CMS hadron calorimeter with silicon photomultipliers
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article; Proceedings Paper
CT Topical Workshop on Electronics for Particle Physics
CY SEP 26-30, 2016
CL Karlsruhe Inst Technol, Karlsruhe, GERMANY
HO Karlsruhe Inst Technol
DE Calorimeters; Front-end electronics for detector readout; Radiation-hard
electronics
AB The upgrade of the hadron calorimeter of the CMS experiment at the CERN Large Hadron Collider is currently underway. The endcap sections will be upgraded in the winter of 2016-2017 and the barrel sections during the second LHC long shutdown in 2019. The existing photosensors will be replaced with about 16 000 new silicon photomultipliers (SiPMs), resulting in the first large installation of SiPMs in a radiation environment. All associated front-end electronics will also be upgraded. This paper discusses the motivation for the upgrade and provides a description of the new system, including the SiPMs with associated control electronics and the front-end readout cards.
C1 [Strobbe, N.; CMS Collaboration] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
RP Strobbe, N (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
EM nstrobbe@fnal.gov
FU Fermi Research Alliance, LLC [De-AC02-07CH11359]; United States
Department of Energy; Department of Energy, Office of Science, Office of
High Energy Physics [FNAL 14-05]
FX NS is supported by Fermi Research Alliance, LLC under Contract No.
De-AC02-07CH11359 with the United States Department of Energy and by an
Early Career Award (FNAL 14-05, PI J.Hirschauer) from the Department of
Energy, Office of Science, Office of High Energy Physics.
NR 13
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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 2017
VL 12
AR C01080
DI 10.1088/1748-0221/12/01/C01080
PG 9
WC Instruments & Instrumentation
SC Instruments & Instrumentation
GA EN1KG
UT WOS:000395768300080
ER
PT J
AU Villani, EG
Phillips, P
Matheson, J
Zhang, Z
Lynn, D
Kuczewski, P
Hommels, LBA
Gregor, I
Bessner, M
Tackmann, K
Newcomer, FM
Spencer, E
Greenall, A
AF Villani, E. Giulio
Phillips, P.
Matheson, J.
Zhang, Z.
Lynn, D.
Kuczewski, P.
Hommels, L. B. A.
Gregor, I.
Bessner, M.
Tackmann, K.
Newcomer, F. M.
Spencer, E.
Greenall, A.
TI HVMUX, a high voltage multiplexing for the ATLAS Tracker upgrade
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article; Proceedings Paper
CT 14th Topical Seminar on Innovative Particle and Radiation Detectors
CY OCT 03-06, 2016
CL Siena, ITALY
DE Radiation-hard electronics; Voltage distributions
AB The HV biasing solution adopted in the current ATLAS detector uses one HV conductor for each sensor. This approach easily allows disabling of malfunctioning sensors without affecting the others, but space constraints and material budget considerations renders this approach impractical for the Upgraded detector. In fact, the increased luminosity of the Upgraded LHC will require more channels in the upgraded ATLAS Tracker, as a result of the finer detector segmentation. Different approaches to bring the HV biasing to the detectors, including the use of a shared HV line to bias several sensors and employing semiconductor switches for the HV routing (HVMUX), have been investigated. Beside the size constraints, particular attention must be paid to the radiation tolerance of any proposed solution, which, for the strips detector, requires proper operation up to fluences of the order of 2.10(15) 1 MeV n(eq)/cm(2) and TID in excess of 300 kGy. In this paper, a description of the proposed HVMUX solution, along with electrical and radiation tests results will be presented and discussed.
C1 [Villani, E. Giulio; Phillips, P.; Matheson, J.; Zhang, Z.] STFC Rutherford Appleton Lab, Particle Phys Dept, Didcot OX11 0QX, Oxon, England.
[Lynn, D.; Kuczewski, P.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Hommels, L. B. A.] Univ Cambridge, Cavendish Lab, JJ Thomson Ave, Cambridge CB3 0HE, England.
[Gregor, I.; Bessner, M.; Tackmann, K.] Deutsch Elektronen Synchrotron DESY, Notkestr 85, D-22607 Hamburg, Germany.
[Newcomer, F. M.] Univ Penn, 209 S 33rd St, Philadelphia, PA 19104 USA.
[Spencer, E.] Univ Calif Santa Cruz, SCIPP, 1156 High St, Santa Cruz, CA 95064 USA.
[Greenall, A.] Univ Liverpool, Oliver Lodge Lab, Cambridge St, Liverpool L69 7ZE, Merseyside, England.
RP Villani, EG (reprint author), STFC Rutherford Appleton Lab, Particle Phys Dept, Didcot OX11 0QX, Oxon, England.
EM giulio.villani@stfc.ac.uk
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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 2017
VL 12
AR C01076
DI 10.1088/1748-0221/12/01/C01076
PG 12
WC Instruments & Instrumentation
SC Instruments & Instrumentation
GA EN1KG
UT WOS:000395768300076
ER
PT J
AU Wallangen, V
Garcia-Sciveres, M
AF Wallangen, V.
Garcia-Sciveres, M.
TI Decision feedback equalization for radiation hard data link at 5 Gbps
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article; Proceedings Paper
CT Topical Workshop on Electronics for Particle Physics
CY SEP 26-30, 2016
CL Karlsruhe Inst Technol, Karlsruhe, GERMANY
HO Karlsruhe Inst Technol
DE Analogue electronic circuits; Digital signal processing (DSP);
Electronic detector readout concepts (solid-state); Simulation methods
and programs
AB The increased particle collision rate following the upgrade of the Large Hadron Collider (LHC) to an increased luminosity requires an increased readout data speed, especially for the ATLAS pixel detector, located closest to the particle interaction point. For this reason, during the Phase-II upgrade of the ATLAS experiment the output data speed of the pixel front-end chips will be increased from 160 Mbps to 5 Gbps. The increased radiation levels will require a radiation hard data transmission link to be designed to carry this data from the pixel front-end to the off-detector system where it will undergo optical conversion. We propose a receiver utilizing the concept of Decision Feedback Equalization (DFE) to be used in this link, where the number of filter taps can be determined from simulations using S-parameter data from measurements of various customized cable prototypes under characterization as candidates to function as transmission medium between the on-chip data driver and the receiver of the link. A dedicated framework has been set up in Matlab to analyze the S-parameter characteristics for the various cable prototypes and investigate the possibilities for signal recovery and maintained signal integrity using DFE, as well as pre-emphasis and different encoding schemes. The simulation results indicate that DFE could be an excellent choice for expanding the system bandwidth to reach required data speeds with minimal signal distortion.
C1 [Wallangen, V.; Garcia-Sciveres, M.] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Wallangen, V.] Stockholm Univ, Univ Vagen 10, S-11418 Stockholm, Sweden.
RP Wallangen, V (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.; Wallangen, V (reprint author), Stockholm Univ, Univ Vagen 10, S-11418 Stockholm, Sweden.
EM veronica.wallangen@cern.ch
FU Office of High Energy Physics of the U.S. Department of Energy
[DE-AC02-05CH11231]; Hans Werthen Fund Scholarship through the Royal
Swedish Academy of Engineering Sciences; Ingegerds and Viking Olov
Bjorks Scholarship Trust through the Sweden-America Foundation
FX This work was supported in part by the Office of High Energy Physics of
the U.S. Department of Energy under contract DE-AC02-05CH11231, the Hans
Werthen Fund Scholarship through the Royal Swedish Academy of
Engineering Sciences, and the Ingegerds and Viking Olov Bjorks
Scholarship Trust through the Sweden-America Foundation.
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SN 1748-0221
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JI J. Instrum.
PD JAN
PY 2017
VL 12
AR C01067
DI 10.1088/1748-0221/12/01/C01067
PG 8
WC Instruments & Instrumentation
SC Instruments & Instrumentation
GA EN1KG
UT WOS:000395768300067
ER
PT J
AU Yao, L
Polychronakos, V
Chen, H
Chen, K
Xu, H
Martoiu, S
Felt, N
Lazovich, T
AF Yao, L.
Polychronakos, V.
Chen, H.
Chen, K.
Xu, H.
Martoiu, S.
Felt, N.
Lazovich, T.
TI The address in real time data driver card for the MicroMegas detector of
the ATLAS muon upgrade
SO JOURNAL OF INSTRUMENTATION
LA English
DT Article; Proceedings Paper
CT Topical Workshop on Electronics for Particle Physics
CY SEP 26-30, 2016
CL Karlsruhe Inst Technol, Karlsruhe, GERMANY
HO Karlsruhe Inst Technol
DE Digital electronic circuits; Muon spectrometers; Trigger concepts and
systems (hardware and software)
AB The ART Data Driver Card (ADDC) will be used in the ATLAS muon upgrade to process and transmit the Address in Real Time (ART) signals, which are generated by the front end chip (VMM) to indicate the location of the first above-threshold event. This ART signal is encoded to represent the address of the first threshold-crossing strip for trigger processing and the magnitude information is not included. The ADDC will be installed on the detector with high radiation and magnetic field thus a custom ASIC (ART ASIC) will be used to receive the ART signals from VMM and do the hit-selection processing. Processed data from ART ASIC will be transmitted out of the detector to the trigger processor through fiber connection. To evaluate the performance of the ADDC before the ART ASIC is produced, an FPGA based prototype was built. This prototype includes most of the major components of the ADDC, while a Xilinx Artix-7 FPGA is used to emulate the ART ASIC. The bench test and integration test results of this prototype will also be described.
C1 [Yao, L.; Polychronakos, V.; Chen, H.; Chen, K.; Xu, H.] Brookhaven Natl Lab, Brookhaven Ave, Upton, NY 11973 USA.
[Martoiu, S.] IFIN HH Bucharest, Str Reactorului 30, Magurele, Romania.
[Felt, N.; Lazovich, T.] Harvard Univ, Cambridge, MA 02138 USA.
RP Yao, L (reprint author), Brookhaven Natl Lab, Brookhaven Ave, Upton, NY 11973 USA.
EM lyao@bnl.gov
NR 12
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PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
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JI J. Instrum.
PD JAN
PY 2017
VL 12
AR C01047
DI 10.1088/1748-0221/12/01/C01047
PG 9
WC Instruments & Instrumentation
SC Instruments & Instrumentation
GA EN1KG
UT WOS:000395768300047
ER
PT J
AU Xu, J
Lin, F
Doeff, MM
Tong, W
AF Xu, Jing
Lin, Feng
Doeff, Marca M.
Tong, Wei
TI A review of Ni-based layered oxides for rechargeable Li-ion batteries
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Review
ID X-RAY-ABSORPTION; POSITIVE-ELECTRODE MATERIALS; LITHIUM-NICKEL OXIDES;
SOLID-STATE CHEMISTRY; LINI0.6CO0.2MN0.2O2 CATHODE MATERIAL;
CAPACITY-FADING MECHANISMS; ENERGY-LOSS SPECTROSCOPY; TRANSITION-METAL
OXIDE; HIGH-RATE CAPABILITY; HIGH CUTOFF VOLTAGE
AB The portable electronic market, vehicle electrification (electric vehicles or EVs) and grid electricity storage impose strict performance requirements on Li-ion batteries, the energy storage device of choice, for these demanding applications. Higher energy density than currently available is needed for these batteries, but a limited choice of materials for cathodes remains a bottleneck. Layered lithium metal oxides, particularly those with high Ni content, hold the greatest promise for high energy density Li-ion batteries because of their unique performance characteristics as well as for cost and availability considerations. In this article, we review Ni-based layered oxide materials as cathodes for high-energy Li-ion batteries. The scope of the review covers an extended chemical space, including traditional stoichiometric layered compounds and those containing two lithium ions per formula unit (with potentially even higher energy density), primarily from a materials design perspective. An in-depth understanding of the composition-structure-property map for each class of materials will be highlighted as well. The ultimate goal is to enable the discovery of new battery materials by integrating known wisdom with new principles of design, and unconventional experimental approaches (e.g., combinatorial chemistry).
C1 [Xu, Jing; Lin, Feng; Doeff, Marca M.; Tong, Wei] Lawrence Berkeley Natl Lab, Energy Storage & Distributed Resources Div, Berkeley, CA 94720 USA.
RP Tong, W (reprint author), Lawrence Berkeley Natl Lab, Energy Storage & Distributed Resources Div, Berkeley, CA 94720 USA.
EM weitong@lbl.gov
OI Doeff, Marca/0000-0002-2148-8047
FU Assistant Secretary for Energy Efficiency and Renewable Energy, Office
of Vehicle Technologies of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX This work was supported by the Assistant Secretary for Energy Efficiency
and Renewable Energy, Office of Vehicle Technologies of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231. W. T. greatly
appreciates fruitful discussion with Prof. Bryan McCloskey, University
of California, Berkeley.
NR 276
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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 2017
VL 5
IS 3
BP 874
EP 901
DI 10.1039/c6ta07991a
PG 28
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EL2DR
UT WOS:000394430800001
ER
PT J
AU Dathar, GKP
Balachandran, J
Kent, PRC
Rondinone, AJ
Ganesh, P
AF Dathar, Gopi Krishna Phani
Balachandran, Janakiraman
Kent, Paul R. C.
Rondinone, Adam J.
Ganesh, P.
TI Li-ion site disorder driven superionic conductivity in solid
electrolytes: a first-principles investigation of beta-Li3PS4
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; LITHIUM; CONDUCTORS; LI3PS4;
STABILITY; DYNAMICS; INSIGHTS; DESIGN; SN
AB The attractive safety and long-term stability of all solid-state batteries has added a new impetus to the discovery and development of solid electrolytes for lithium batteries. Recently several superionic lithium conducting solid electrolytes have been discovered. All the superionic lithium containing compounds (beta-Li3PS4 and Li10GeP2S12 and oxides, predominantly in the garnet phase) have partially occupied sites. This naturally begs the question of understanding the role of partial site occupancies (or site disorder) in optimizing ionic conductivity in these family of solids. We find that for a given topology of the host lattice, maximizing the number of sites with similar Li-ion adsorption energies, which gives partial site occupancy, is a natural way to increase the configurational entropy of the system and optimize the conductivity. For a given topology and density of Li-ion adsorption sites, the ionic conductivity is maximal when the number of mobile Li-ions are equal to the number of mobile vacancies, also the very condition for achieving maximal configurational entropy. We demonstrate applicability of this principle by elucidating the role of Li-ion site disorder and the local chemical environment in the high ionic conductivity of beta-Li3PS4. In addition, for beta-Li3PS4 we find that a significant density of vacancies in the Li-ion sub-lattice (similar to 25%) leads to sub-lattice melting at (similar to 600 K) leading to a molten form for the Li-ions in an otherwise solid anionic host. This gives a lithium site occupancy that is similar to what is measured experimentally. We further show that quenching this disorder can improve conductivity at lower temperatures. As a consequence, we discover that (a) one can optimize ionic conductivity in a given topology by choosing a chemistry/composition that maximizes the number of mobile-carriers i.e. maximizing both mobile Li-ions and vacancies, and (b) when the concentration of vacancies becomes significant in the Li-ion sub-lattice, it becomes energetically as well as entropically favorable for it to remain molten well below the bulk decomposition temperature of the solid. This principle may already apply to several known superionic conducting solids.
C1 [Dathar, Gopi Krishna Phani; Balachandran, Janakiraman; Kent, Paul R. C.; Rondinone, Adam J.; Ganesh, P.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Kent, Paul R. C.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
[Dathar, Gopi Krishna Phani] Samsung Adv Inst Technol, Samsung Res Inst, Bangalore, Karnataka, India.
RP Ganesh, P (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
EM ganeshp@ornl.gov
FU Center for Nanophase Materials Sciences which is a DOE Office of Science
User Facility; Laboratory Directed Research and Development Program of
Oak Ridge National Laboratory; Office of Science of the U.S. Department
of Energy [DE-AC02-05CH11231]
FX GKPD, PRCK, AJR and PG were supported by the Center for Nanophase
Materials Sciences which is a DOE Office of Science User Facility. J. B.
was sponsored by the Laboratory Directed Research and Development
Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC,
for the US Department of Energy. Discussions with Chengdu Liang, and
Douglas Scalapino are greatly acknowledged. This research used resources
of the National Energy Research Scientific Computing Center, a DOE
Office of Science User Facility supported by the Office of Science of
the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.
NR 34
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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 2017
VL 5
IS 3
BP 1153
EP 1159
DI 10.1039/c6ta07713g
PG 7
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EL2DR
UT WOS:000394430800035
ER
PT J
AU Sun, XG
Wan, S
Guang, HY
Fang, YX
Reeves, KS
Chi, MF
Dai, S
AF Sun, Xiao-Guang
Wan, Shun
Guang, Hong Yu
Fang, Youxing
Reeves, Kimberly Shawn
Chi, Miaofang
Dai, Sheng
TI New promising lithium malonatoborate salts for high voltage lithium ion
batteries
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID BRANCHED POLYEPOXIDE ETHERS; CARBONATE-BASED SOLUTIONS; LIBOB-BASED
ELECTROLYTES; THIN-FILM ELECTRODES; PHYSICOCHEMICAL PROPERTIES;
ELECTROCHEMICAL PROPERTIES; LIQUIDS; GRAPHITE; INTERCALATION; ANIONS
AB Three new lithium salts, lithium difluoro-2-methyl-2-fluoromalonatoborate (LiDFMFMB), lithium difluoro2- ethyl-2-fluoromalonatoborate (LiDFEFMB), and lithium difluoro-2-propyl-2-fluoromalonatoborate (LiDFPFMB), have been synthesized and evaluated for application in lithium ion batteries. These new salts are soluble in a mixture of ethylene carbonate (EC) and ethyl methyl carbonate (EMC) (1 : 2 by wt) and 1.0 M salt solutions can be easily prepared. The ionic conductivities of these new salts are close to those of LiBF4 and LiPF6. Cyclic voltammograms reveal that these new salt based electrolytes can passivate both natural graphite and high voltage spinel LiNi0.5Mn1.5O4 (LNMO) to form effective solid electrolyte interphases (SEIs). In addition, these new salt-based electrolytes exhibit good cycling stability with high coulombic efficiencies in both LiNi0.5Mn1.5O4 and graphite based half-cells and full cells.
C1 [Sun, Xiao-Guang; Wan, Shun; Guang, Hong Yu; Fang, Youxing; Dai, Sheng] Oak Ridge Natl Lab, Chem Sci Div, One Bethel Valley Rd, Oak Ridge, TN 37831 USA.
[Guang, Hong Yu] Northeast Normal Univ, Dept Chem, 5268 Renmin St, Changchun 130012, Jilin, Peoples R China.
[Fang, Youxing; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Reeves, Kimberly Shawn; Chi, Miaofang] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, One Bethel Valley Rd, Oak Ridge, TN 37831 USA.
RP Sun, XG (reprint author), Oak Ridge Natl Lab, Chem Sci Div, One Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM sunx@ornl.gov
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Materials Sciences and Engineering Division; DOE Vehicle
Technologies Program (VTP) within Applied Battery Research (ABR) for
Transportation Program; ORNL's Center for Nanophase Materials Sciences,
an Office of Science User Facility
FX Research was sponsored by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, Materials Sciences and
Engineering Division. The electrodes were produced at the U.S.
Department of Energy's (DOE) CAMP (Cell Analysis, Modeling and
Prototyping) Facility, Argonne National Laboratory. The CAMP Facility is
fully supported by the DOE Vehicle Technologies Program (VTP) within the
core funding of the Applied Battery Research (ABR) for Transportation
Program. The electron microscopy work was performed through a user
project supported by the ORNL's Center for Nanophase Materials Sciences,
which is an Office of Science User Facility.
NR 60
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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 2017
VL 5
IS 3
BP 1233
EP 1241
DI 10.1039/c6ta07757a
PG 9
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EL2DR
UT WOS:000394430800044
ER
PT J
AU Barry, E
Mane, AU
Libera, JA
Elam, JW
Darling, SB
AF Barry, Edward
Mane, Anil U.
Libera, Joseph A.
Elam, Jeffrey W.
Darling, Seth B.
TI Advanced oil sorbents using sequential infiltration synthesis
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID ATOMIC LAYER DEPOSITION; OIL/WATER SEPARATION; POLYURETHANE FOAM; SPILL
CLEANUP; EFFICIENT; WATER; ABSORPTION; SPONGE; SPECTROSCOPY; POLLUTANTS
AB Disasters on the scale of the Exxon Valdez and Deepwater Horizon serve as harrowing reminders of the devastating effects uncontrolled oil spills have on the environment. Skimming, burning, and dispersing oil are only partially effective and carry their own ecological impacts. An enticing alternative strategy involves oil sorbents capable of efficient extraction of oil from water bodies, which in turn necessitates the design and implementation of novel materials Here, we extend methods of sequential infiltration synthesis (SIS) traditionally only applied to nanometer scale thin films to create oil sorbents based on macroscopic, commercially available polymeric foams. Targeting superoleophilic and superhydrophobic chemistries, we demonstrate the propensity of SIS-based modifications in oil spill remediation and demonstrate its efficacy in crude oil sorption in model seawater. We find crude oil sorption on the order of 30 and 90 times the initial foam weight for polyurethane and polyimide, respectively, both with highly favorable reusability.
C1 [Barry, Edward; Darling, Seth B.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 South Cass Ave, Lemont, IL 60439 USA.
[Mane, Anil U.; Libera, Joseph A.; Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, 9700 South Cass Ave, Lemont, IL 60439 USA.
[Darling, Seth B.] Univ Chicago, Inst Mol Engn, 5801 South Ellis Ave, Chicago, IL 60637 USA.
RP Darling, SB (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 South Cass Ave, Lemont, IL 60439 USA.; Darling, SB (reprint author), Univ Chicago, Inst Mol Engn, 5801 South Ellis Ave, Chicago, IL 60637 USA.
EM darling@anl.gov
FU United States Coast Guard (USCG) [HSCG32-15-X-R00006]; U. S. Department
of Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-06CH11357]
FX This work was funded by the United States Coast Guard (USCG), operating
under Contract No. HSCG32-15-X-R00006. 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 gratefully acknowledge Alexander Balsley
(USCG) and Kristi McKinney (Bureau of Safety and Environmental
Enforcement) for support and many useful discussions.
NR 38
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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 2017
VL 5
IS 6
BP 2929
EP 2935
DI 10.1039/c6ta09014a
PG 7
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EM1KD
UT WOS:000395075600060
ER
PT J
AU Yin, CR
Negreiros, FR
Barcaro, G
Beniya, A
Sementa, L
Tyo, EC
Bartling, S
Meiwes-Broer, KH
Seifert, S
Hirata, H
Isomura, N
Nigam, S
Majumder, C
Watanabe, Y
Fortunelli, A
Vajda, S
AF Yin, Chunrong
Negreiros, Fabio R.
Barcaro, Giovanni
Beniya, Atsushi
Sementa, Luca
Tyo, Eric C.
Bartling, Stephan
Meiwes-Broer, Karl-Heinz
Seifert, Sonke
Hirata, Hirohito
Isomura, Noritake
Nigam, Sandeep
Majumder, Chiranjib
Watanabe, Yoshihide
Fortunelli, Alessandro
Vajda, Stefan
TI Alumina-supported sub-nanometer Pt-10 clusters: amorphization and role
of the support material in a highly active CO oxidation catalyst
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID CARBON-MONOXIDE; IN-SITU; PLATINUM CLUSTERS; MODEL CATALYSTS; OXIDE
SUPPORTS; PD CLUSTERS; SIZE; SURFACES; SPECTROSCOPY; PRESSURE
AB Catalytic CO oxidation is unveiled on size-selected Pt-10 clusters deposited on two very different ultrathin (approximate to 0.5-0.7 nm thick) alumina films: (i) a highly ordered alumina obtained under ultra-high vacuum (UHV) by oxidation of the NiAl(110) surface and (ii) amorphous alumina obtained by atomic layer deposition (ALD) on a silicon chip that is a close model of real-world supports. Notably, when exposed to realistic reaction conditions, the Pt-10/UHV-alumina system undergoes a morphological transition in both the clusters and the substrate, and becomes closely akin to Pt-10/ALD-alumina, thus reconciling UHV-type surface-science and real-world experiments. The Pt-10 clusters, thoroughly characterized via combined experimental techniques and theoretical analysis, exhibit among the highest CO oxidation activity per Pt atom reported for CO oxidation catalysts, due to the interplay of ultra-small size and support effects. A coherent interdisciplinary picture then emerges for this catalytic system.
C1 [Yin, Chunrong; Tyo, Eric C.; Vajda, Stefan] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA.
[Yin, Chunrong; Tyo, Eric C.; Vajda, Stefan] Argonne Natl Lab, Nanosci & Technol Div, Lemont, IL 60439 USA.
[Negreiros, Fabio R.; Barcaro, Giovanni; Sementa, Luca; Fortunelli, Alessandro] CNR, ICCOM, Pisa, Italy.
[Negreiros, Fabio R.; Barcaro, Giovanni; Sementa, Luca; Fortunelli, Alessandro] CNR, IPCF, Pisa, Italy.
[Beniya, Atsushi; Isomura, Noritake; Watanabe, Yoshihide] Toyota Cent Res & Dev Labs Inc, Frontier Res Ctr, Nagakute, Aichi, Japan.
[Bartling, Stephan; Meiwes-Broer, Karl-Heinz] Univ Rostock, Inst Phys, Rostock, Germany.
[Seifert, Sonke] Argonne Natl Lab, Xray Sci Div, Lemont, IL USA.
[Hirata, Hirohito] Toyota Motor Co Ltd, Adv Mat Engn Div, Shizuoka, Japan.
[Nigam, Sandeep; Majumder, Chiranjib] Bhabha Atom Res Ctr, Div Chem, Bombay 400085, Maharashtra, India.
[Fortunelli, Alessandro] CALTECH, Mat & Proc Simulat Ctr, Pasadena, CA 91125 USA.
RP Vajda, S (reprint author), Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA.; Vajda, S (reprint author), Argonne Natl Lab, Nanosci & Technol Div, Lemont, IL 60439 USA.; Fortunelli, A (reprint author), CNR, ICCOM, Pisa, Italy.; Fortunelli, A (reprint author), CNR, IPCF, Pisa, Italy.; Watanabe, Y (reprint author), Toyota Cent Res & Dev Labs Inc, Frontier Res Ctr, Nagakute, Aichi, Japan.; Fortunelli, A (reprint author), CALTECH, Mat & Proc Simulat Ctr, Pasadena, CA 91125 USA.
EM e0827@mosk.tytlabs.co.jp; alessandro.fortunelli@cnr.it; vajda@anl.gov
FU U.S. Department of Energy, BESMaterials Science and Engineering
[DE-AC-02-06CH11357]; UChicago Argonne, LLC; US Department of Energy,
Scientific User Facilities [DE-AC-02-06CH11357]; ERC-AG SEPON project;
U. S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]; European Social Fund (ESF); federal state
Mecklenburg-Vorpommern within the project Nano4Hydrogen; Federal
Ministry of Education and Research (BMBF) within the project
Light2-Hydrogen; Deutsche Forschungsgemeinschaft (DFG) [SFB652]
FX The work at the Argonne National Laboratory (C. Y., E. C. T., S. V.) was
supported by the U.S. Department of Energy, BESMaterials Science and
Engineering, under Contract DE-AC-02-06CH11357, with UChicago Argonne,
LLC, the operator of Argonne National Laboratory. The work at the
Advanced Photon Source (S. S.) was supported by the US Department of
Energy, Scientific User Facilities under Contract DE-AC-02-06CH11357
with UChicago Argonne LLC, the operator of Argonne National Laboratory.
The Argonne authors thank Drs Joseph Libera and Jeffrey Elam for
performing the ALD alumina-coating of the silicon chips used for cluster
deposition and Dr Sungsik Lee for his assistance at sample preparations.
A. F. gratefully acknowledges support from the ERC-AG SEPON project and
the use of the Center for Nanoscale Materials, an Office of Science user
facility, was supported by the U. S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, under Contract No.
DE-AC02-06CH11357. CM and SN are thankful to the members of the Computer
Division, BARC, for their kind cooperation during this work. S. B.
acknowledges funding by the European Social Fund (ESF), the federal
state Mecklenburg-Vorpommern within the project Nano4Hydrogen, the
Federal Ministry of Education and Research (BMBF) within the project
Light2-Hydrogen, and the Deutsche Forschungsgemeinschaft (DFG) through
the SFB652. Fruitful discussions with Drs Ingo Barke, Akansha Singh and
Profs Prasenjit Sen and Hisato Yasumatsu are highly appreciated.
NR 66
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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 2017
VL 5
IS 10
BP 4923
EP 4931
DI 10.1039/c6ta10989f
PG 9
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EN6XO
UT WOS:000396146900021
ER
PT J
AU Khan, M
Pathak, AK
Mudryk, Y
Gschneidner, KA
Pecharsky, VK
AF Khan, M.
Pathak, A. K.
Mudryk, Y.
Gschneidner, K. A., Jr.
Pecharsky, V. K.
TI Anisotropy induced anomalies in Dy1-xTbxAl2
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID MAGNETIC-PROPERTIES
AB The Dy1-xTbxAl2 alloys have been investigated by X-ray powder diffraction, heat capacity, and magnetic measurements. All samples exhibit cubic Laves phase crystal structure at room temperature but at T-C, DyAl2 and TbAl2 show tetragonal and rhombohedral distortions, respectively. First order phase transitions are observed below T-C (at the spin-reorientation transition, T-SR) in the alloys with 0.15 <= x <= 0.35. These transitions are signified by sharp heat capacity peaks and corresponding anomalies in the magnetization and ac magnetic susceptibility data. The observations are interpreted by taking into consideration the differences in easy magnetization directions of DyAl2 and TbAl2. Due to the competing magnetic structures, the anisotropy-related instability and magnetic frustrations are prominent in the Dy1-xTbxAl2 alloys at certain concentrations resulting in the first order transitions.
C1 [Khan, M.; Pathak, A. K.; Mudryk, Y.; Gschneidner, K. A., Jr.; Pecharsky, V. K.] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA.
[Khan, M.] Miami Univ, Dept Phys, Oxford, OH 45056 USA.
[Gschneidner, K. A., Jr.; Pecharsky, V. K.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
RP Pathak, AK (reprint author), Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA.
EM pathak138@ameslab.gov
FU U.S. Department of Energy by Iowa State University of Science and
Technology [DE-AC02-07CH11358]; Department of Energy, Office of Basic
Energy Sciences, Materials Sciences Division
FX The Ames Laboratory is operated for the U.S. Department of Energy by
Iowa State University of Science and Technology under contract no.
DE-AC02-07CH11358. This work was supported by the Department of Energy,
Office of Basic Energy Sciences, Materials Sciences Division.
NR 30
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U2 2
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7526
EI 2050-7534
J9 J MATER CHEM C
JI J. Mater. Chem. C
PY 2017
VL 5
IS 4
BP 896
EP 901
DI 10.1039/c6tc05384j
PG 6
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA EM6LL
UT WOS:000395424000015
ER
PT J
AU Gerdjikov, VS
Saxena, A
AF Gerdjikov, V. S.
Saxena, A.
TI Complete integrability of nonlocal nonlinear Schrodinger equation
SO JOURNAL OF MATHEMATICAL PHYSICS
LA English
DT Article
ID INVERSE SCATTERING TRANSFORM; SYSTEMS; FORMS
AB Based on the completeness relation for the squared solutions of the Lax operator L, we show that a subset of nonlocal equations from the hierarchy of nonlocal nonlinear Schrodinger equations (NLS) is a completely integrable system. The spectral properties of the Lax operator indicate that there are two types of soliton solutions. The relevant action-angle variables are parametrized by the scattering data of the Lax operator. The notion of the symplectic basis, which directly maps the variations of the potential of L to the variations of the action-angle variables has been generalized to the nonlocal case. We also show that the inverse scattering method can be viewed as a generalized Fourier transform. Using the trace identities and the symplectic basis, we construct the hierarchy Hamiltonian structures for the nonlocal NLS equations. Published by AIP Publishing.
C1 [Gerdjikov, V. S.] Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, 72 Tsarigradsko Chausee, Sofia 1784, Bulgaria.
[Saxena, A.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Saxena, A.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
RP Gerdjikov, VS (reprint author), Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, 72 Tsarigradsko Chausee, Sofia 1784, Bulgaria.
EM gerjikov@inrne.bas.bg; avadh@lanl.gov
FU U.S. Department of Energy
FX This work was supported in part by the U.S. Department of Energy. We
thank an anonymous referee for a careful reading of the manuscript and
for useful suggestions.
NR 25
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PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0022-2488
EI 1089-7658
J9 J MATH PHYS
JI J. Math. Phys.
PD JAN
PY 2017
VL 58
IS 1
AR 013502
DI 10.1063/1.4974018
PG 33
WC Physics, Mathematical
SC Physics
GA EM4JL
UT WOS:000395279200036
ER
PT J
AU Bruck, AM
Gannett, CN
Bock, DC
Smith, PF
Marschilok, AC
Takeuchi, KJ
Takeuchi, ES
AF Bruck, Andrea M.
Gannett, Cara N.
Bock, David C.
Smith, Paul F.
Marschilok, Amy C.
Takeuchi, Kenneth J.
Takeuchi, Esther S.
TI The Electrochemistry of Fe3O4/Polypyrrole Composite Electrodes in
Lithium-Ion Cells: The Role of Polypyrrole in Capacity Retention
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article; Proceedings Paper
CT International Meeting on Lithium Batteries (IMLB)
CY JUN, 2016
CL Chicago, IL
ID CRYSTALLITE SIZE; BATTERIES; MAGNETITE; FE3O4; PERFORMANCE; MECHANISM;
STATES; POLYMERIZATION; SPECTROSCOPY; NANOSPHERES
AB Two series of magnetite (Fe3O4) composite electrodes, one group with and one group without added carbon, containing varying quantities of polypyrrole (PPy), and a non-conductive polyvinylidene difluoride (PVDF) binder were constructed and then analyzed using electrochemical and spectroscopic techniques. Galvanostatic cycling and alternating current (AC) impedance measurements were used in tandem to measure delivered capacity, capacity retention, and the related impedance at various stages of discharge and charge. Further, the reversibility of Fe3O4 to iron metal (FeO) conversion observed during discharge was quantitatively assessed ex-situ using X-ray Absorption Spectroscopy (XAS). The Fe3O4 composite containing the largest weight fraction of PPy (20 wt%) with added carbon demonstrated reduced irreversible capacity on initial cycles and improved cycling stability over 50 cycles, attributed to decreased reaction with the electrolyte in the presence of PPy. This study illustrated the beneficial role of PPy addition to Fe3O4 based electrodes was not strongly related to improved electrical conductivity, but rather to improved ion transport related to the formation of a more favorable surface electrolyte interphase (SEI). (C) The Author(s) 2016. Published by ECS. All rights reserved.
C1 [Bruck, Andrea M.; Smith, Paul F.; Marschilok, Amy C.; Takeuchi, Kenneth J.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11790 USA.
[Gannett, Cara N.] SUNY Coll Geneseo, Dept Chem, Geneseo, NY 14454 USA.
[Gannett, Cara N.] SUNY Stony Brook, Ctr Inclus Educ, Stony Brook, NY 11794 USA.
[Bock, David C.; Takeuchi, Esther S.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Marschilok, Amy C.; Takeuchi, Kenneth J.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Mat Sci & Chem Engn, Stony Brook, NY 11790 USA.
RP Marschilok, AC; Takeuchi, KJ; Takeuchi, ES (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11790 USA.; Takeuchi, ES (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.; Marschilok, AC; Takeuchi, KJ; Takeuchi, ES (reprint author), SUNY Stony Brook, Dept Mat Sci & Chem Engn, Stony Brook, NY 11790 USA.
EM amy.marschilok@stonybrook.edu; kenneth.takeuchi.1@stonybrook.edu;
esther.takeuchi@stonybrook.edu
FU Center for Mesoscale Transport Properties, an Energy Frontier Research
Center - U.S. Department of Energy, Office of Science, Basic Energy
Sciences [DE-SC0012673]; National Science Foundation Graduate Research
Fellowship [1109408]; National Science Foundation
FX This work was supported as part of the Center for Mesoscale Transport
Properties, an Energy Frontier Research Center supported by the U.S.
Department of Energy, Office of Science, Basic Energy Sciences, under
award #DE-SC0012673 for financial support. This research used resources
of the Cornell High Energy Synchrotron Source (CHESS) beamline F3. A. M.
B. acknowledges the support of the National Science Foundation Graduate
Research Fellowship under grant No. 1109408. C.N.G. acknowledges support
from the National Science Foundation funded Research Experience for
Undergraduates Site: Nanotechnology for Health, Energy and the
Environment at Stony Brook University. Any opinions, findings, and
conclusions or recommendations expressed in this material are those of
the authors and do not necessarily reflect the views of the National
Science Foundation.
NR 35
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U1 2
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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 2017
VL 164
IS 1
BP A6260
EP A6267
DI 10.1149/2.0361701jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA EL3GU
UT WOS:000394508400041
ER
PT J
AU Gilbert, JA
Bareno, J
Spila, T
Trask, SE
Miller, DJ
Polzin, BJ
Jansen, AN
Abraham, DP
AF Gilbert, James A.
Bareno, Javier
Spila, Timothy
Trask, Stephen E.
Miller, Dean J.
Polzin, Bryant J.
Jansen, Andrew N.
Abraham, Daniel P.
TI Cycling Behavior of NCM523/Graphite Lithium-Ion Cells in the 3-4.4 V
Range: Diagnostic Studies of Full Cells and Harvested Electrodes
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article; Proceedings Paper
CT International Meeting on Lithium Batteries (IMLB)
CY JUN, 2016
CL Chicago, IL
ID LINI0.5CO0.2MN0.3O2 CATHODE MATERIAL; DIFFERENTIAL VOLTAGE ANALYSES;
OXIDE POSITIVE ELECTRODE; HIGH-POWER; ELECTROCHEMICAL PERFORMANCE;
GRAPHITE-ELECTRODES; NEGATIVE ELECTRODES; BATTERIES; LI; FADE
AB Energy density of full cells containing layered-oxide positive electrodes can be increased by raising the upper cutoff voltage above the present 4.2 V limit. In this article we examine aging behavior of cells, containing LiNi0.5Co0.2Mn0.3O2 (NCM523)-based positive and graphite-based negative electrodes, which underwent up to similar to 400 cycles in the 3-4.4 Vrange. Electrochemistry results from electrodes harvested from the cycled cells were obtained to identify causes of cell performance loss; these results were complemented with data from X-ray photoelectron spectroscopy (XPS) and secondary ion mass spectroscopy (SIMS) measurements. Our experiments indicate that the full cell capacity fade increases linearly with cycle number and results from irreversible lithium loss in the negative electrode solid electrolyte interphase (SEI) layer. The accompanying electrode potential shift reduces utilization of active material in both electrodes and causes the positive electrode to cycle at higher states-of-charge. Full cell impedance rise on aging arises primarily at the positive electrode and results mainly from changes at the electrode-electrolyte interface; the small growth in negative electrode impedance reflects changes in the SEI layer. Our results indicate that cell performance loss could be mitigated by modifying the electrode-electrolyte interfaces through use of appropriate electrode coatings and/or electrolyte additives. (C) The Author(s) 2016. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution Non-Commercial No Derivatives 4.0 License (CC BY-NC-ND, http://creativecommons.org/licenses/by-nc-nd/4.0/), which permits non-commercial reuse, distribution, and reproduction in any medium, provided the original work is not changed in any way and is properly cited. For permission for commercial reuse, please email: oa@electrochem.org. All rights reserved.
C1 [Gilbert, James A.; Bareno, Javier; Trask, Stephen E.; Miller, Dean J.; Polzin, Bryant J.; Jansen, Andrew N.; Abraham, Daniel P.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Spila, Timothy] Univ Illinois, Urbana, IL 61801 USA.
RP Abraham, DP (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM abraham@anl.gov
FU U.S. Department of Energy's Vehicle Technologies Program (DOE-VTP); U.S.
Department of Energy, Office of Basic Energy Sciences; U.S. Department
of Energy Office of Science [DE-AC02-06CH11357]
FX Support from the U.S. Department of Energy's Vehicle Technologies
Program (DOE-VTP), specifically from Peter Faguy and Dave Howell, is
gratefully acknowledged. The electrodes and cells used in this article
were fabricated at Argonne's Cell Analysis, Modeling and Prototyping
(CAMP) Facility. The oxide and graphite particle size analyses were
conducted at Argonne's Materials Engineering Research Facility (MERF).
The XPS data were acquired at Argonne's Post-Test Facility. All three
facilities are supported within the core funding of the Applied Battery
Research (ABR) for Transportation Program. We are grateful to Matilda
Klett and to team members of the HE-HV program at Argonne and Oak Ridge
National Laboratories for their suggestions. The SIMS data were
collected at the Frederick Seitz Materials Research Laboratory Central
Facilities, University of Illinois at Urbana-Champaign. The SEM
examination was conducted at the Electron Microscopy Center in the
Center for Nanoscale Materials, which is supported by the U.S.
Department of Energy, Office of Basic Energy Sciences. We are grateful
to the Dahn group for use of the Dalhousie University Differential
Voltage Analysis Program used to calculate electrode potential shifts
from the dV/dQ data.; 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 paidup
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 67
TC 1
Z9 1
U1 3
U2 3
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 2017
VL 164
IS 1
BP A6054
EP A6065
DI 10.1149/2.0081701jes
PG 12
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA EL3GU
UT WOS:000394508400013
ER
PT J
AU Huie, MM
Bock, DC
Zhong, Z
Bruck, AM
Yin, JF
Takeuchi, ES
Takeuchi, KJ
Marschilok, AC
AF Huie, Matthew M.
Bock, David C.
Zhong, Zhong
Bruck, Andrea M.
Yin, Jiefu
Takeuchi, Esther S.
Takeuchi, Kenneth J.
Marschilok, Amy C.
TI Rate Dependent Multi-Mechanism Discharge of Ag0.50VOPO4 center dot
1.8H(2)O: Insights from In Situ Energy Dispersive X-ray Diffraction
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article; Proceedings Paper
CT International Meeting on Lithium Batteries (IMLB)
CY JUN, 2016
CL Chicago, IL
ID VANADIUM PHOSPHORUS OXIDE; IRON PHOSPHATE BATTERIES; ELECTROCHEMICAL
REDUCTION; ABSORPTION SPECTROSCOPY; CATHODE MATERIAL; LIFEPO4
ELECTRODES; ION BATTERIES; IMPACTS; CHARGE; VISUALIZATION
AB Ag0.50VOPO4 center dot 1.8H(2)O (silver vanadium phosphate, SVOP) demonstrates a counterintuitive higher initial loaded voltage under higher discharge current. Energy dispersive X-ray diffraction (EDXRD) from synchrotron radiation was used to create tomographic profiles of cathodes at various depths of discharge for two discharge rates. SVOP displays two reduction mechanisms, reduction of a vanadium center accompanied by lithiation of the structure, or reduction-displacement of a silver cation to form silver metal. In-situ EDXRD provides the opportunity to observe spatially resolved changes to the parent SVOP crystal and formation of Ag-0 during reduction. At a C/170 discharge rate V5+ reduction is the preferred initial reaction resulting in higher initial loaded voltage. At a discharge rate of C/400 reduction of Ag+ with formation of conductive Ag-0 occurs earlier during discharge. Discharge rate also affects the spatial location of reduction products. The faster discharge rate initiates reduction close to the current collector with non-uniform distribution of silver metal resulting in isolated cathode areas. The slower rate develops a more homogenous distribution of reduced SVOP and silver metal. This study illuminates the roles of electronic and ionic conductivity limitations within a cathode at the mesoscale and how they impact the course of reduction processes and loaded voltage. (C) The Author(s) 2016. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution Non-Commercial No Derivatives 4.0 License (CC BY-NC-ND, http://creativecommons.org/licenses/by-nc-nd/4.0/), which permits non-commercial reuse, distribution, and reproduction in any medium, provided the original work is not changed in any way and is properly cited. For permission for commercial reuse, please email: oa@electrochem.org. All rights reserved.
C1 [Huie, Matthew M.; Takeuchi, Esther S.; Takeuchi, Kenneth J.; Marschilok, Amy C.] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA.
[Bock, David C.; Zhong, Zhong; Takeuchi, Esther S.] Brookhaven Natl Lab, Energy Sci Directorate, Upton, NY 11973 USA.
[Bruck, Andrea M.; Yin, Jiefu; Takeuchi, Esther S.; Takeuchi, Kenneth J.; Marschilok, Amy C.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
RP Takeuchi, ES; Takeuchi, KJ; Marschilok, AC (reprint author), SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA.; Takeuchi, ES (reprint author), Brookhaven Natl Lab, Energy Sci Directorate, Upton, NY 11973 USA.; Takeuchi, ES; Takeuchi, KJ; Marschilok, AC (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
EM esther.takeuchi@stonybrook.edu; kenneth.takeuchi.1@stonybrook.edu;
amy.marschilok@stonybrook.edu
FU U.S. Department of Energy, Office of Science, Basic Energy Sciences
[DE-SC0012673]; DOE Office of Science [DE-AC02-06CH11357]; National
Synchrotron Light Source II, Brookhaven National Laboratory under DOE
[DE-SC0012704]; National Science Foundation [1109408]
FX The authors acknowledge the Center for Mesoscale Transport Properties,
an Energy Frontier Research Center supported by the U.S. Department of
Energy, Office of Science, Basic Energy Sciences, under award
#DE-SC0012673 for financial support. This research used resources of the
Advanced Photon Source, a U.S. Department of Energy (DOE) Office of
Science User Facility operated for the DOE Office of Science by Argonne
National Laboratory under Contract No. DE-AC02-06CH11357. Use of APS
Beamline 6-BM is partially supported by the National Synchrotron Light
Source II, Brookhaven National Laboratory, under DOE Contract No.
DE-SC0012704. MMH acknowledges that this material is based upon work
supported by the National Science Foundation Graduate Research
Fellowship Program under grant No. 1109408.
NR 50
TC 0
Z9 0
U1 3
U2 3
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 2017
VL 164
IS 1
BP A6007
EP A6016
DI 10.1149/2.0011701jes
PG 10
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA EL3GU
UT WOS:000394508400007
ER
PT J
AU Jones, RE
Gittleson, FS
Templeton, JA
Ward, DK
AF Jones, R. E.
Gittleson, F. S.
Templeton, J. A.
Ward, D. K.
TI A Simple Model for Interpreting the Reaction-Diffusion Characteristics
of Li-Air Batteries
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article; Proceedings Paper
CT International Meeting on Lithium Batteries (IMLB)
CY JUN, 2016
CL Chicago, IL
ID STATIONARY ELECTRODE POLAROGRAPHY; RING-DISC ELECTRODE; LI-O-2
BATTERIES; OXYGEN DIFFUSION; POROUS CATHODES; SUPEROXIDE ION;
PERFORMANCE; CAPACITY; OPTIMIZATION; LIMITATIONS
AB With the goal of creating a model of a Li-air battery that is consistent with voltammetry data, we develop a full battery model capable of giving insight into details of cell operation otherwise inaccessible to common experimental techniques. With this model, we investigate the dependence of the current on: the diffusion characteristics of the electrolyte, the solubility of the ambient oxygen, the structure of the cathode, and aspects of the primary surface reaction. We explore modifications to a basic reaction-diffusion model of a full cell that bring better agreement with experimental data, including gas-electrolyte surface limited diffusion and a partially active cathode. We discuss how the basic form of the model and the simulated reaction and concentration profiles affect cell dynamics. (C) The Author(s) 2017. Published by ECS. All rights reserved.
C1 [Jones, R. E.; Gittleson, F. S.; Templeton, J. A.; Ward, D. K.] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Jones, RE (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA.
EM rjones@sandia.gov
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX The authors appreciate the sustained support and guidance of Marie Kane
(Sandia). Sandia is a multiprogram laboratory managed and operated by
Sandia Corporation, a wholly owned subsidiary of Lockheed Martin
Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration under contract No. DE-AC04-94AL85000.
NR 49
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U1 1
U2 1
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 2017
VL 164
IS 1
BP A6422
EP A6430
DI 10.1149/2.0641701jes
PG 9
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA EL3GU
UT WOS:000394508400064
ER
PT J
AU Klett, M
Gilbert, JA
Pupek, KZ
Trask, SE
Abraham, DP
AF Klett, Matilda
Gilbert, James A.
Pupek, Krzysztof Z.
Trask, Stephen E.
Abraham, Daniel P.
TI Layered Oxide, Graphite and Silicon-Graphite Electrodes for Lithium-Ion
Cells: Effect of Electrolyte Composition and Cycling Windows
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article; Proceedings Paper
CT International Meeting on Lithium Batteries (IMLB)
CY JUN, 2016
CL Chicago, IL
ID FLUOROETHYLENE CARBONATE FEC; NEGATIVE ELECTRODES; BATTERY ANODES;
VINYLENE CARBONATE; POLYMER BINDERS; CAPACITY FADE; NANO-SILICON; FULL
CELLS; PERFORMANCE; INTERPHASE
AB The electrochemical performance of cells with a Li-1.03(Ni0.5Co0.2Mn0.3)(0.97)O-2 (NCM523) positive electrode and a blended silicon-graphite (Si-Gr) negative electrode are investigated using various electrolyte compositions and voltage cycling windows. Voltage profiles of the blended Si-Gr electrode show a superposition of graphite potential plateaus on a sloped Si profile with a large potential hysteresis. The effect of this hysteresis is seen in the cell impedance versus voltage data, which are distinctly different for the charge and discharge cycles. We confirm that the addition of compounds, such as vinylene carbonate (VC) and fluoroethylene carbonate (FEC) to the baseline 1.2 M LiPF6 in ethylene carbonate (EC): ethyl methyl carbonate (EMC) (3: 7 w/w) electrolyte, improves cell capacity retention with higher retention seen at higher additive contents. We show that reducing the lower cutoff voltage (LCV) of full cells to 2.5 V increases the Si-Gr electrode potential to 1.12 V vs. Li/Li+; this relatively-high delithiation potential correlates with the lower capacity retention displayed by the cell. Furthermore, we show that raising the upper cutoff voltage (UCV) can increase cell energy density without significantly altering capacity retention over 100 charge-discharge cycles. (C) The Author(s) 2016. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution 4.0 License (CC BY, http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse of the work in any medium, provided the original work is properly cited. All rights reserved.
C1 [Klett, Matilda; Gilbert, James A.; Pupek, Krzysztof Z.; Trask, Stephen E.; Abraham, Daniel P.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Abraham, DP (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM abraham@anl.gov
FU Galo Foundation; Royal Swedish Academy of Engineering Sciences; Office
of Vehicle Technologies at the U.S. Department of Energy; U.S.
Department of Energy Office of Science laboratory [DE-AC02-06CH11357]
FX M. K. acknowledges the generous grants from The Galo Foundation and The
Royal Swedish Academy of Engineering Sciences (IVA) that enabled her
research at Argonne National Laboratory. The work was also supported by
the Office of Vehicle Technologies at the U.S. Department of Energy; we
are especially grateful to Peter Faguy and Dave Howell for their
programmatic support. The electrodes and cells used in this article were
fabricated at Argonne's Cell Analysis, Modeling and Prototyping (CAMP)
Facility; we are grateful to A. Jansen and B. Polzin for their inputs to
this work. The electrolytes were prepared at Argonne's Materials
Engineering Research Facility (MERF); we are grateful to G. Krumdick and
T. Dzwiniel for their support. Both the CAMP and MERF facilities are
supported within the core funding of the Applied Battery Research (ABR)
for Transportation Program. We acknowledge our many colleagues at
Argonne and elsewhere for their assistance during the course of this
study.; This 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 40
TC 1
Z9 1
U1 10
U2 10
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 2017
VL 164
IS 1
BP A6095
EP A6102
DI 10.1149/2.0131701jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA EL3GU
UT WOS:000394508400018
ER
PT J
AU Lee, JZ
Wang, ZY
Xin, HLL
Wynn, TA
Meng, YS
AF Lee, Jungwoo Z.
Wang, Ziying
Xin, Huolin L.
Wynn, Thomas A.
Meng, Ying Shirley
TI Amorphous Lithium Lanthanum Titanate for Solid-State Microbatteries
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article; Proceedings Paper
CT International Meeting on Lithium Batteries (IMLB)
CY JUN, 2016
CL Chicago, IL
ID PULSED-LASER DEPOSITION; THIN-FILMS; IONIC-CONDUCTIVITY; BATTERIES;
OXIDES; ELECTRODES; PLD
AB Lithium lanthanum titanate (LLTO) is a promising solid state electrolyte for solid state batteries due to its demonstrated high bulk ionic conductivity. However, crystalline LLTO has a relatively low grain boundary conductivity, limiting the overall material conductivity. In this work, we investigate amorphous LLTO (a-LLTO) thin films grown by pulsed laser deposition (PLD). By controlling the background pressure and temperature we are able to optimize the ionic conductivity to 3 x 10(-4) S/cm and electronic conductivity to 5 x 10(-11) S/cm. XRD, TEM, and STEM/EELS analysis confirm that the films are amorphous and indicate that oxygen background gas is necessary during the PLD process to decrease the oxygen vacancy concentration, decreasing the electrical conductivity. Amorphous LLTO is deposited onto high voltage LiNi0.5Mn1.5O4 (LNMO) spinel cathode thin films and cycled up to 4.8 V vs. Li showing excellent capacity retention. These results demonstrate that a-LLTO has the potential to be integrated into high voltage thin film batteries. (C) The Author(s) 2016. Published by ECS. All rights reserved.
C1 [Lee, Jungwoo Z.; Wang, Ziying; Meng, Ying Shirley] Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92093 USA.
[Xin, Huolin L.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Wynn, Thomas A.; Meng, Ying Shirley] Univ Calif San Diego, Mat Sci & Engn Program, La Jolla, CA 92093 USA.
RP Meng, YS (reprint author), Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92093 USA.; Meng, YS (reprint author), Univ Calif San Diego, Mat Sci & Engn Program, La Jolla, CA 92093 USA.
EM shmeng@ucsd.edu
FU U. S. Department of Energy, Office of Basic Energy Sciences
[DE-SC0002357]; U. S. DOE Office of Science Facility, at Brookhaven
National Laboratory [DE-SC0012704]; National Science Foundation
[ECCS-1542148]; National Science Foundation Major Research
Instrumentation Program [CHE-1338173]; NIH; Eugene Cota-Robles
Fellowship Program of the University of California San Diego
FX The authors thank Cyrus S. Rustomji for fruitful discussion and use of
environmental chamber. This work is supported by the U. S. Department of
Energy, Office of Basic Energy Sciences, under Award Number
DE-SC0002357. This research used resources of the Center for Functional
Nanomaterials, which is a U. S. DOE Office of Science Facility, at
Brookhaven National Laboratory under Contract No. DE-SC0012704. This
work was performed in part at the San Diego Nanotechnology
Infrastructure (SDNI), a member of the National Nanotechnology
Coordinated Infrastructure, which is supported by the National Science
Foundation (grant ECCS-1542148). XRD and XPS were performed at the UC
Irvine Materials Research Institute (IMRI) using instrumentation funded
in part by the National Science Foundation Major Research
Instrumentation Program under grant no. CHE-1338173. We acknowledge the
use of the UCSD Cryo-Electron Microscopy Facility which is supported by
NIH grants to Dr. Timothy S. Baker and a gift from the Agouron Institute
to UCSD. J. L. acknowledges support from the Eugene Cota-Robles
Fellowship Program of the University of California San Diego.
NR 32
TC 0
Z9 0
U1 5
U2 5
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 2017
VL 164
IS 1
BP A6268
EP A6273
DI 10.1149/2.0411701jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA EL3GU
UT WOS:000394508400042
ER
PT J
AU Sazhin, SV
Dufek, EJ
Gering, KL
AF Sazhin, S. V.
Dufek, E. J.
Gering, K. L.
TI Enhancing Li-Ion Battery Safety by Early Detection of Nascent Internal
Shorts
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article; Proceedings Paper
CT International Meeting on Lithium Batteries (IMLB)
CY JUN, 2016
CL Chicago, IL
ID TRIPHENYL PHOSPHATE; SHORT-CIRCUIT; CELLS; ELECTROLYTES; COSOLVENTS;
MANAGEMENT; VEHICLES
AB Catastrophic failure concerns of Li-ion batteries create anxiety in electric vehicle and energy storage markets. Currently, no fast method to forecast catastrophic failure has existed for lithium ion or other battery types. This work presents a solution by very early detection of nascent internal shorts that are precursors of catastrophic failure. The new metric, the self-discharge current, which is determined under potentiostatic conditions at a slight discharge overvoltage, is proposed as a fast metric for detection of shorts and assessment of battery safety that can be completed in minutes. The assessment time for self-discharge analysis can be further shortened by at least two times using a sigmoidal model that displays only 5.6% variation from experimental values. The method is non-invasive and applicable to any battery chemistry or design. It can be easily adapted to any battery management system for monitoring battery state of health at any time and at any battery state of charge. The technology based on this method can be used in electric drive vehicles, stationary energy storage, military, aeronautic, as final control in battery production, for first responders in electric vehicle accidents, and many other applications. (C) The Author(s) 2016. Published by ECS. All rights reserved.
C1 [Sazhin, S. V.; Dufek, E. J.] Idaho Natl Lab, Dept Energy Storage & Adv Vehicles, Idaho Falls, ID 83415 USA.
[Gering, K. L.] Idaho Natl Lab, Dept Biol & Chem Proc, Idaho Falls, ID 83415 USA.
RP Sazhin, SV (reprint author), Idaho Natl Lab, Dept Energy Storage & Adv Vehicles, Idaho Falls, ID 83415 USA.
EM sergiy.sazhin@inl.gov
FU Laboratory Directed Research and Development program at Idaho National
Laboratory under U. S. Department of Energy Idaho Operations Office
[DE-AC07-05ID14517]; U. S. Department of Energy [DE-AC07-05ID14517]
FX Work was supported through the Laboratory Directed Research and
Development program at Idaho National Laboratory under U. S. Department
of Energy Idaho Operations Office Contract No. DE-AC07-05ID14517. This
manuscript has been authored by Battelle Energy Alliance, LLC under
Contract No. DE-AC07-05ID14517 with the U. S. Department of Energy. The
United States Government retains and the publisher, by accepting the
article for publication, acknowledges that the United States Government
retains a nonexclusive, paid-up, irrevocable, worldwide license to
publish or reproduce the published form of this manuscript, or allow
others to do so, for United States Government purposes.
NR 31
TC 0
Z9 0
U1 1
U2 1
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 2017
VL 164
IS 1
BP A6281
EP A6287
DI 10.1149/2.0431701jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA EL3GU
UT WOS:000394508400045
ER
PT J
AU Sun, K
Cama, CA
DeMayo, RA
Bock, DC
Tong, X
Su, D
Marschilok, AC
Takeuchi, KJ
Takeuchi, ES
Gan, H
AF Sun, Ke
Cama, Christina A.
DeMayo, Rachel A.
Bock, David C.
Tong, Xiao
Su, Dong
Marschilok, Amy C.
Takeuchi, Kenneth J.
Takeuchi, Esther S.
Gan, Hong
TI Interaction of FeS2 and Sulfur in Li-S Battery System
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article; Proceedings Paper
CT International Meeting on Lithium Batteries (IMLB)
CY JUN, 2016
CL Chicago, IL
ID POLYSULFIDE; CATHODES; PERFORMANCE; REDOX
AB Many transition metal sulfides are electronically conductive, electrochemically active and reversible in reactions with lithium. However, the application of transition metal sulfides as sulfur cathode additives in lithium-sulfur (Li-S) batteries has not been fully explored. In this study, Pyrite (FeS2) is studied as a capacity contributing conductive additive in sulfur cathode for Li-S batteries. Electrochemically discharging the S-FeS2 composite electrodes to 1.0 V activates the FeS2 component, contributing to the improved Li-S cell discharge energy density. However, direct activation of the FeS2 component in a fresh S-FeS2 cell results in a significant shuttling effect in the subsequent charging process, preventing further cell cycling. The slight FeS2 solubility in electrolyte and its activation alone in S-FeS2 cells are not the root causes of the severe shuttling effect. The observed severe shuttling effect is strongly correlated to the 1st charging of the activated S-FeS2 electrode that promotes iron dissolution in electrolyte and the deposition of electronically conductive FeS on the anode SEI. Pre-cycling of the S-FeS2 cell prior to the FeS2 activation or the use of LiNO3 electrolyte additive help to prevent the severe shuttling effect and allow the cell to cycle between 2.6 V to 1.0 V with an extra capacity contribution from the FeS2 components. However, a more effective method of anode pre-passivation is still needed to fully protect the lithium surface from FeS deposition and allow the S-FeS2 electrode to maintain high energy density over extended cycles. A mechanism explaining the observed phenomena based on the experimental data is proposed and discussed. (C) The Author(s) 2016. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution 4.0 License (CC BY, http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse of the work in any medium, provided the original work is properly cited. All rights reserved.
C1 [Sun, Ke; Bock, David C.; Takeuchi, Esther S.; Gan, Hong] Brookhaven Natl Lab, Energy Sci Directorate, Upton, NY 11973 USA.
[Cama, Christina A.; DeMayo, Rachel A.; Marschilok, Amy C.; Takeuchi, Kenneth J.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
[Tong, Xiao; Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Marschilok, Amy C.; Takeuchi, Kenneth J.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA.
RP Gan, H (reprint author), Brookhaven Natl Lab, Energy Sci Directorate, Upton, NY 11973 USA.
EM hgan@bnl.gov
FU U.S. Department of Energy (DOE) Office of Energy Efficiency and
Renewable Energy under the Advanced Battery Materials Research (BMR)
program [DE-SC0012704]; DOE, Office of Basic Energy Sciences
[DE-SC0012704]
FX This work is supported by the U.S. Department of Energy (DOE) Office of
Energy Efficiency and Renewable Energy under the Advanced Battery
Materials Research (BMR) program, Contract No. DE-SC0012704. Part of
this work has been carried out at the Center for Functional
Nanomaterials, Brookhaven National Laboratory, which is supported by the
DOE, Office of Basic Energy Sciences, under contract DE-SC0012704.
NR 26
TC 0
Z9 0
U1 10
U2 10
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 2017
VL 164
IS 1
BP A6039
EP A6046
DI 10.1149/2.0041701jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA EL3GU
UT WOS:000394508400011
ER
PT J
AU Tornheim, A
He, MN
Su, CC
Zhang, ZC
AF Tornheim, Adam
He, Meinan
Su, Chi-Cheung
Zhang, Zhengcheng
TI The Role of Additives in Improving Performance in High Voltage
Lithium-Ion Batteries with Potentiostatic Holds
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article; Proceedings Paper
CT International Meeting on Lithium Batteries (IMLB)
CY JUN, 2016
CL Chicago, IL
ID COBALT MANGANESE OXIDE; VINYLENE CARBONATE; FLUORINATED ELECTROLYTES;
HIGH-TEMPERATURE; TRIS(TRIMETHYLSILYL) PHOSPHITE; ELECTROCHEMICAL
PERFORMANCE; SPINEL LINI0.5MN1.5O4; ELEVATED-TEMPERATURE; BIS(OXALATO)
BORATE; ETHYLENE CARBONATE
AB In this work, various electrolyte additives designed for enhanced performance at high voltages were evaluated with elevated temperature potentiostatic holds with LiNi0.5Co0.2Mn0.3/Li4Ti5O12 full cells to determine their effect on the high voltage stability. Of the additives investigated, many showed increased oxidation current through the 60 hour potentiostatic holds test, and adversely affected both the capacity retention and interfacial impedance. Improved high voltage performance was observed with two additives, vinylene carbonate (VC) and 1,1,2,2-tetrafluoroethyl-2,2,3,3-tetrafluoropropyl ether (TTE), which was attributed to two different mechanisms of improvement. This work investigates some conclusions in the available literature of an additive molecule that decomposes on the charged cathode surface and passivates the surface against electrolyte oxidation. (C) The Author(s) 2017. Published by ECS. All rights reserved.
C1 [Tornheim, Adam; He, Meinan; Su, Chi-Cheung; Zhang, Zhengcheng] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA.
RP Zhang, ZC (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA.
EM zzhang@anl.gov
FU Vehicle Technologies Program, Hybrid and Electric Systems; DOE Office of
Vehicle Technologies [DE-AC02-06CH11357]
FX Support from the Vehicle Technologies Program, Hybrid and Electric
Systems, David Howell and Peter Faguy at the U. S. Department of Energy,
Office of Energy Efficiency and Renewable Energy, is gratefully
acknowledged. This work was performed under the auspices of the DOE
Office of Vehicle Technologies, under Contract No. DE-AC02-06CH11357.
The electrodes in this study were fabricated in the Cell Analysis,
Modeling, and Prototyping (CAMP) Facility's cell fabrication dry room
lab utilizing pilot scale semi-automated equipment.
NR 60
TC 0
Z9 0
U1 5
U2 5
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 2017
VL 164
IS 1
BP A6366
EP A6372
DI 10.1149/2.0471701jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA EL3GU
UT WOS:000394508400056
ER
PT J
AU Zhang, BJ
Smith, PF
Lee, SY
Wu, LJ
Zhu, YM
Takeuchi, ES
Marschilok, AC
Takeuchi, KJ
AF Zhang, Bingjie
Smith, Paul F.
Lee, Seung-Yong
Wu, Lijun
Zhu, Yimei
Takeuchi, Esther S.
Marschilok, Amy C.
Takeuchi, Kenneth J.
TI Tailoring the Ag+ Content within the Tunnels and on the Exposed Surfaces
of alpha-MnO2 Nanowires: Impact on Impedance and Electrochemistry
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article; Proceedings Paper
CT International Meeting on Lithium Batteries (IMLB)
CY JUN, 2016
CL Chicago, IL
ID VANADIUM PHOSPHORUS OXIDE; LITHIUM-ION BATTERIES; X-RAY-DIFFRACTION;
SILVER HOLLANDITE; CRYSTALLITE SIZE; LI-ION; SYNTHETIC CONTROL;
PERFORMANCE; COMPOSITE; AG2VO2PO4
AB Efficient conduction of both electrons and cations (e.g., Li+) has a profound effect on the current and capacity of lithium-based batteries. With this study, we focus on cathode effects, with the preparation of pure silver hollandite materials with variable silver ion content within (intra-tunnel) and on the surface of alpha-MnO2 tunneled materials, followed by the measurement and analysis of impedance and electrochemistry data. Specifically, pure AgxMn8O16-y materials with low (x = 1.13) and high (x = 1.54) intra-tunnel silver content are compared with AgxMn8O16-y center dot aAg(2)O (a = 0.25, 0.63, 1.43) composites prepared via a new Ag2O coating strategy. When the Ag2O (a = 0, 0.25) content is low, the material with higher intra-tunnel silver (x = 1.53) content delivers up to similar to 5-fold higher capacity accounted for by a similar to 10-fold lower impedance than its lower intra-tunnel silver (x = 1.13) counterpart. In the presence of high Ag2O content (a = 0.63, 1.43), both composites exhibit comparable impedance but the lower intra-tunnel silver (x = 1.13) composite delivers up to similar to 1.5-fold higher capacity than higher intra-tunnel silver composite, highlighting the key role of Li+ transport under those conditions. Our results demonstrate material design strategies which can significantly increase electronic and ionic conductivities. (C) The Author(s) 2016. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution Non-Commercial No Derivatives 4.0 License (CC BY-NC-ND, http://creativecommons.org/licenses/by-nc-nd/4.0/), which permits non-commercial reuse, distribution, and reproduction in any medium, provided the original work is not changed in any way and is properly cited. For permission for commercial reuse, please email: oa@electrochem.org. All rights reserved.
C1 [Zhang, Bingjie; Smith, Paul F.; Takeuchi, Esther S.; Marschilok, Amy C.; Takeuchi, Kenneth J.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
[Lee, Seung-Yong; Wu, Lijun; Zhu, Yimei; Takeuchi, Esther S.] Brookhaven Natl Lab, Energy Sci Directorate, Upton, NY 11973 USA.
[Takeuchi, Esther S.; Marschilok, Amy C.; Takeuchi, Kenneth J.] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA.
RP Takeuchi, ES; Marschilok, AC; Takeuchi, KJ (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.; Takeuchi, ES (reprint author), Brookhaven Natl Lab, Energy Sci Directorate, Upton, NY 11973 USA.; Takeuchi, ES; Marschilok, AC; Takeuchi, KJ (reprint author), SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA.
EM esther.takeuchi@stonybrook.edu; amy.marschilok@stonybrook.edu;
kenneth.takeuchi.1@stonybrook.edu
FU Center for Mesoscale Transport Properties, an Energy Frontier Research
Center - U.S. Department of Energy, Office of Science, Basic Energy
Sciences [DE-SC0012673]; U.S. Department of Energy, Office of Basic
Energy Science, Division of Materials Science and Engineering
[DE-SC0012704]
FX This research was supported by the Center for Mesoscale Transport
Properties, an Energy Frontier Research Center supported by the U.S.
Department of Energy, Office of Science, Basic Energy Sciences, under
award #DE-SC0012673. TEM work was supported by the U.S. Department of
Energy, Office of Basic Energy Science, Division of Materials Science
and Engineering, under Contract No. DE-SC0012704.
NR 32
TC 0
Z9 0
U1 1
U2 1
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 2017
VL 164
IS 1
BP A6163
EP A6170
DI 10.1149/2.0261701jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA EL3GU
UT WOS:000394508400028
ER
PT J
AU Khanafer, K
Aithal, SM
Assad, ME
Pop, I
AF Khanafer, Khalil
Aithal, S. M.
Assad, Mamdouh E.
Pop, Ioan
TI Flow and Heat Transfer in a Driven Cavity with Two Cylinders
SO JOURNAL OF THERMOPHYSICS AND HEAT TRANSFER
LA English
DT Article
ID SPENT-FUEL ASSEMBLIES; MIXED CONVECTION FLOW; DIFFERENT VERTICAL
LOCATIONS; SATURATED POROUS-MEDIUM; NATURAL-CONVECTION;
CIRCULAR-CYLINDER; SQUARE ENCLOSURE; BOTTOM WALL
AB Mixed convection in a lid-driven square cavity with symmetrically placed circular cylinders is studied numerically. The effect of thermal boundary conditions imposed on the two cylinders and the location of the two cylinders on the fluid-flow and heat transfer characteristics within the cavity is studied for a range of Richardson numbers at a fixed Reynolds number. Detailed analyses of velocity and temperature distributions are presented with isotherms, streamlines, and the local Nusselt number. The effect of the varying Richardson number on the local Nusselt number along the walls of the cavity and the circular cylinders is presented for the different thermal boundary conditions and cylinder locations considered in this work. It is seen that changing the boundary condition on one of the cylinders from isothermal to adiabatic has minimal effect on the distribution of the local Nusselt number on the wall and the hot cylinder. The present results show that the locations of hot and cold cylinders along the vertical direction have a significant effect on streamlines, isotherms, and the local Nusselt number.
C1 [Khanafer, Khalil; Assad, Mamdouh E.] Australian Coll Kuwait, Dept Mech Engn, Safat 13015, Kuwait.
[Aithal, S. M.] Argonne Natl Lab, Comp Environm & Life Sci, Lemont, IL 60439 USA.
[Pop, Ioan] Univ Babes Bolyai, Dept Math, Fac Math & Comp Sci, R-400084 Cluj Napoca, Romania.
[Khanafer, Khalil] Univ Michigan, Dept Biomed Engn, Ann Arbor, MI 48109 USA.
RP Khanafer, K (reprint author), Australian Coll Kuwait, Dept Mech Engn, Safat 13015, Kuwait.; Khanafer, K (reprint author), Univ Michigan, Dept Biomed Engn, Ann Arbor, MI 48109 USA.
EM k.khanafer@ack.edu.kw
NR 34
TC 0
Z9 0
U1 0
U2 0
PU AMER INST AERONAUTICS ASTRONAUTICS
PI RESTON
PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091-4344 USA
SN 0887-8722
EI 1533-6808
J9 J THERMOPHYS HEAT TR
JI J. Thermophys. Heat Transf.
PD JAN
PY 2017
VL 31
IS 1
BP 99
EP 108
DI 10.2514/1.T4744
PG 10
WC Thermodynamics; Engineering, Mechanical
SC Thermodynamics; Engineering
GA EM1UK
UT WOS:000395102400010
ER
PT J
AU Panchal, KV
Abraham, S
Roy, A
Ekkad, SV
Ng, W
Lohaus, AS
Crawford, ME
AF Panchal, Kapil V.
Abraham, Santosh
Roy, Arnab
Ekkad, Srinath V.
Ng, Wing
Lohaus, Andrew S.
Crawford, Michael E.
TI Effect of Endwall Contouring on a Transonic Turbine Blade Passage: Heat
Transfer Performance
SO JOURNAL OF TURBOMACHINERY-TRANSACTIONS OF THE ASME
LA English
DT Article
ID END WALL DESIGN
AB Effect of turbine endwall contouring on its aerodynamic performance has been widely studied, but only a few studies are available in the open literature investigating its effect on heat transfer performance; especially at transonic exit Mach number conditions. In this paper, we report a study of effect of contouring on endwall heat transfer performance of a high-turning high-pressure (HP) turbine blade passage operating under transonic exit conditions. The paper describes comparison of heat transfer performance of two contoured endwall geometries, one aerodynamically optimized (AO) and the other heat transfer optimized (HTO), with a baseline, noncontoured geometry. The endwall geometries were experimentally investigated at Virginia Tech's transient, blow down, transonic linear cascade facility at three exit Mach numbers, M-ex = 0.71, 0.88(design) and 0.95, for their heat transfer performance. Endwall surface temperatures were measured using infrared (IR) thermography and local heat transfer coefficient (HTC) values were calculated using measured temperatures. A camera matrix model-based data postprocessing technique was developed to relate the two-dimensional images captured by IR camera to three-dimensional endwall contours. The measurement technique and the methodology for postprocessing of the heat transfer coefficient data have been presented in detail. Discussion and interpretation of experimental results have been augmented using aerodynamic CFD simulations of the geometries. Both the contoured endwalls demonstrated a significant reduction in the overall average heat transfer coefficient values of the order of 10%. The surface Stanton number distributions also indicated a reduction in the level of hot spots for most of the endwall surface. However, at some locations an increase was also observed, especially in the area near the leading edge (LE). The results indicate that the endwall contouring could significantly improve heat transfer performance of turbine passages.
C1 [Panchal, Kapil V.] Elliott Grp, 901 North Fourth St,CB200, Jeannette, PA 15644 USA.
[Abraham, Santosh] Siemens Energy Inc, 5101 Westinghouse Blvd, Charlotte, NC 28273 USA.
[Roy, Arnab; Ng, Wing] Virginia Tech, Dept Mech Engn, 425 Goodwin Hall 0238,635 Prices Fork Rd, Blacksburg, VA 24061 USA.
[Ekkad, Srinath V.] Dept Mech Engn, 301 Burruss Hall,800 Drillfield Dr, Blacksburg, VA 24061 USA.
[Lohaus, Andrew S.] Siemens Energy Inc, 4400 Alafaya Trail, Orlando, FL 32789 USA.
[Crawford, Michael E.] Siemens Energy Inc, 11842 Corp Blvd, Orlando, FL 32817 USA.
[Roy, Arnab] Natl Energy Technol Lab, Morgantown, WV 26507 USA.
RP Panchal, KV (reprint author), Elliott Grp, 901 North Fourth St,CB200, Jeannette, PA 15644 USA.
EM kpanchal@elliott-turbo.com; santosh.abraham@siemens.com; arnab8@vt.edu;
sekkad@vt.edu; wng@vt.edu; andrew.lohaus@siemens.com;
michaelcrawford@siemens.com
FU U.S. Department of Energy through Siemens Energy, Inc.; U.S. Department
of Energy [DE-FC26-05NT42644]
FX The authors would like to acknowledge the funding support from the U.S.
Department of Energy through Siemens Energy, Inc.; This material is
based upon the work supported by the U.S. Department of Energy under
Award No. DE-FC26-05NT42644.
NR 29
TC 0
Z9 0
U1 0
U2 0
PU ASME
PI NEW YORK
PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA
SN 0889-504X
EI 1528-8900
J9 J TURBOMACH
JI J. Turbomach.-Trans. ASME
PD JAN
PY 2017
VL 139
IS 1
AR 011009
DI 10.1115/1.4034411
PG 11
WC Engineering, Mechanical
SC Engineering
GA EM7US
UT WOS:000395518400009
ER
PT J
AU Heinemann, J
Deng, K
Shih, SCC
Gao, J
Adams, PD
Singh, AK
Northen, TR
AF Heinemann, Joshua
Deng, Kai
Shih, Steve C. C.
Gao, Jian
Adams, Paul D.
Singh, Anup K.
Northen, Trent R.
TI On-chip integration of droplet microfluidics and nanostructure-initiator
mass spectrometry for enzyme screening
SO LAB ON A CHIP
LA English
DT Article
ID DIRECTED EVOLUTION; PLATFORM; PROTEINS; SILICON; DESIGN; DEVICE
AB Biological assays often require expensive reagents and tedious manipulations. These shortcomings can be overcome using digitally operated microfluidic devices that require reduced sample volumes to automate assays. One particular challenge is integrating bioassays with mass spectrometry based analysis. Towards this goal we have developed NIMS, a highly sensitive and high throughput technique that integrates droplet microfluidics with nanostructure-initiator mass spectrometry (NIMS). Enzyme reactions are carried out in droplets that can be arrayed on discrete NIMS elements at defined time intervals for subsequent mass spectrometry analysis, enabling time resolved enzyme activity assay. We apply the NIMS platform for kinetic characterization of a glycoside hydrolase enzyme (CelE-CMB3A), a chimeric enzyme capable of deconstructing plant hemicellulose into monosaccharides for subsequent conversion to biofuel. This study reveals NIMS nanostructures can be fabricated into arrays for microfluidic droplet deposition, NIMS is compatible with droplet and digital microfluidics, and can be used on-chip to assay glycoside hydrolase enzyme in vitro.
C1 [Heinemann, Joshua; Deng, Kai; Adams, Paul D.; Singh, Anup K.; Northen, Trent R.] Joint Bioenergy Inst, Emeryville, CA 94608 USA.
[Heinemann, Joshua; Gao, Jian; Adams, Paul D.; Northen, Trent R.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Deng, Kai; Singh, Anup K.] Sandia Natl Labs, Livermore, CA 94551 USA.
[Northen, Trent R.] Joint Genome Inst, Walnut Creek, CA 94598 USA.
[Adams, Paul D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA.
[Shih, Steve C. C.] Concordia Univ, Dept Elect & Comp Engn, Montreal, PQ, Canada.
RP Northen, TR (reprint author), Joint Bioenergy Inst, Emeryville, CA 94608 USA.; Northen, TR (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.; Northen, TR (reprint author), Joint Genome Inst, Walnut Creek, CA 94598 USA.
EM trnorthen@lbl.gov
OI Shih, Steve/0000-0003-3540-0808
FU Office of Science, Office of Biological and Environmental Research, of
the U.S. Department of Energy [DE-AC02-05CH11231]
FX This work conducted by the Joint BioEnergy Institute was supported by
the Office of Science, Office of Biological and Environmental Research,
of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.
NR 40
TC 0
Z9 0
U1 3
U2 3
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1473-0197
EI 1473-0189
J9 LAB CHIP
JI Lab Chip
PY 2017
VL 17
IS 2
BP 323
EP 331
DI 10.1039/c6lc01182a
PG 9
WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience
& Nanotechnology
SC Biochemistry & Molecular Biology; Chemistry; Science & Technology -
Other Topics
GA EK5QH
UT WOS:000393980400013
PM 27957569
ER
PT J
AU Brooks, SC
Brandt, CC
Griffiths, NA
AF Brooks, Scott C.
Brandt, Craig C.
Griffiths, Natalie A.
TI Estimating uncertainty in ambient and saturation nutrient uptake metrics
from nutrient pulse releases in stream ecosystems
SO LIMNOLOGY AND OCEANOGRAPHY-METHODS
LA English
DT Article
ID WALKER BRANCH; MANAGEMENT; PATTERNS; DENITRIFICATION; SENSITIVITY;
TENNESSEE; FISHERIES; DYNAMICS
AB Nutrient spiraling is an important ecosystem process characterizing nutrient transport and uptake in streams. Various nutrient addition methods are used to estimate uptake metrics; however, uncertainty in the metrics is not often evaluated. A method was developed to quantify uncertainty in ambient and saturation nutrient uptake metrics estimated from saturating pulse nutrient additions (Tracer Additions for Spiraling Curve Characterization; TASCC). Using a Monte Carlo (MC) approach, the 95% confidence interval (CI) was estimated for ambient uptake lengths (Sw-amb) and maximum areal uptake rates (U-max) based on 100,000 datasets generated from each of four nitrogen and five phosphorous TASCC experiments conducted seasonally in a forest stream in eastern Tennessee, U.S.A. Uncertainty estimates from the MC approach were compared to the CIs estimated from ordinary least squares (OLS) and non-linear least squares (NLS) models used to calculate Sw-amb and U-max, respectively, from the TASCC method. The CIs for Sw-amb and U-max were large, but were not consistently larger using the MC method. Despite the large CIs, significant differences (based on nonoverlapping CIs) in nutrient metrics among seasons were found with more significant differences using the OLS/NLS vs. the MC method. We suggest that the MC approach is a robust way to estimate uncertainty, as the calculation of Sw-amb and U-max violates assumptions of OLS/NLS while the MC approach is free of these assumptions. The MC approach can be applied to other ecosystem metrics that are calculated from multiple parameters, providing a more robust estimate of these metrics and their associated uncertainties.
C1 [Brooks, Scott C.; Griffiths, Natalie A.] Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA.
[Brandt, Craig C.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA.
[Griffiths, Natalie A.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN USA.
RP Brooks, SC (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA.
EM brookssc@ornl.gov
FU US Department of Energy's Office of Science, Biological and
Environmental Research; Terrestrial Ecosystem Science and Subsurface
Biogeochemical Research Programs; US Department of Energy
[DE-AC05-00OR22725]
FX We thank L. Johnson, D. Brice, and K. McCracken for help in the field
and with laboratory analyses. A. King and two anonymous reviewers
provided comments on earlier versions of this manuscript that greatly
improved the final version. We are grateful to the late Pat Mulholland
for his advice on the nutrient releases, and for his leadership on
seminal biogeochemical research in Walker Branch. This research was part
of the long-term Walker Branch Watershed project and supported by the US
Department of Energy's Office of Science, Biological and Environmental
Research including funding from the Terrestrial Ecosystem Science and
Subsurface Biogeochemical Research Programs within that office. The work
is a product of the Science Focus Area (SFA) at ORNL. Oak Ridge National
Laboratory is managed by UT-Battelle, LLC, for the US Department of
Energy under contract DE-AC05-00OR22725.
NR 32
TC 0
Z9 0
U1 0
U2 0
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1541-5856
J9 LIMNOL OCEANOGR-METH
JI Limnol. Oceanogr. Meth.
PD JAN
PY 2017
VL 15
IS 1
BP 22
EP 37
DI 10.1002/lom3.10139
PG 16
WC Limnology; Oceanography
SC Marine & Freshwater Biology; Oceanography
GA EL9TD
UT WOS:000394962100002
ER
PT J
AU Muller, A
Kondofersky, I
Folger, A
Fattakhova-Rohlfing, D
Bein, T
Scheu, C
AF Mueller, Alexander
Kondofersky, Ilina
Folger, Alena
Fattakhova-Rohlfing, Dina
Bein, Thomas
Scheu, Christina
TI Dual absorber Fe2O3/WO3 host-guest architectures for improved charge
generation and transfer in photoelectrochemical applications
SO MATERIALS RESEARCH EXPRESS
LA English
DT Article
ID SOLAR HYDROGEN-PRODUCTION; WATER OXIDATION; TUNGSTEN TRIOXIDE; HEMATITE
PHOTOANODES; METAL-OXIDES; ALPHA-FE2O3; ELECTRODES; LIGHT; FILMS; WO3
AB In this study the influence of the spatial distribution and of different nanostructures of WO3 and Fe2O3 in the dual absorber system Fe2O3/WO3 was systematically investigated for the first time. WO3 was applied as a scaffold and/or as a surface treatment to mesoporous Fe2O3 films. Both approaches strongly increased the performance compared to the individual photoabsorbers. By combining a host guest architecture with a surface treatment, current densities of about 0.7 mA cm(-2) at 1.23 V versus reversible hydrogen electrode under AM 1.5 illumination with an incident photon-to-current efficiency of 17% at 350 nm were achieved without the use of further catalysts. We could identify several beneficial interactions between Fe2O3 and WO3. WO3 strongly scatters visible light, resulting in increased absorption by Fe2O3 and higher current densities. We also determined a cathodic shift in the onset potential to 0.8 V and increased transfer rates of up to 88%. This combination of beneficial effects proves the viability of the presented device architecture.
C1 [Mueller, Alexander; Folger, Alena; Scheu, Christina] Max Planck Inst Eisenforsch GmbH MPIE, Max Planck Str 1, D-40237 Dusseldorf, Germany.
[Mueller, Alexander; Kondofersky, Ilina; Fattakhova-Rohlfing, Dina; Bein, Thomas] Univ Munich LMU, Dept Chem, Butenandtstr 5-13, D-81377 Munich, Germany.
[Mueller, Alexander; Kondofersky, Ilina; Fattakhova-Rohlfing, Dina; Bein, Thomas] Univ Munich LMU, Ctr NanoSci CeNS, Butenandtstr 5-13, D-81377 Munich, Germany.
[Mueller, Alexander] Lawrence Berkeley Natl Lab, Mol Foundry, Natl Ctr Electron Microscopy, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
RP Scheu, C (reprint author), Max Planck Inst Eisenforsch GmbH MPIE, Max Planck Str 1, D-40237 Dusseldorf, Germany.
EM scheu@mpie.de
FU German Research Foundation (DFG) via the priority program SPP 1613;
Nanosystems Initiative Munich (NIM); LMUexcellent, the Bavarian research
network 'Solar Technologies Go Hybrid'; Center for Nanoscience (CeNS)
FX The work was supported by the German Research Foundation (DFG) via the
priority program SPP 1613, the Nanosystems Initiative Munich (NIM) and
LMUexcellent, the Bavarian research network 'Solar Technologies Go
Hybrid', and the Center for Nanoscience (CeNS). We thank the students
Zachary Edelen and Marina Polo Collado for participating in the
research. Steffen Schmidt and Halina Dunn are gratefully acknowledged
for insightful discussions.
NR 43
TC 0
Z9 0
U1 3
U2 3
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 2053-1591
J9 MATER RES EXPRESS
JI Mater. Res. Express
PD JAN
PY 2017
VL 4
IS 1
DI 10.1088/2053-1591/aa570f
PG 9
WC Materials Science, Multidisciplinary
SC Materials Science
GA EM7SF
UT WOS:000395511900004
ER
PT J
AU Yu, JM
Wang, DP
Pierson, LS
Pierson, EA
AF Yu, Jun Myoung
Wang, Dongping
Pierson, Leland S., III
Pierson, Elizabeth A.
TI Disruption of MiaA provides insights into the regulation of phenazine
biosynthesis under suboptimal growth conditions in Pseudomonas
chlororaphis 30-84
SO MICROBIOLOGY-SGM
LA English
DT Article
DE MiaA; tRNA modification; gene regulation; Pseudomonas chlororaphis;
biological control
ID TRANSFER-RNA MODIFICATION; ESCHERICHIA-COLI K-12; AUREOFACIENS STRAIN
30-84; QUORUM-SENSING SYSTEM; ANTIBIOTIC BIOSYNTHESIS; BIOFILM
FORMATION; FLUORESCENT PSEUDOMONADS; SALMONELLA-TYPHIMURIUM;
MODIFICATION ENZYME; BIOLOGICAL-CONTROL
AB Many products of secondary metabolism are activated by quorum sensing (QS), yet even at cell densities sufficient for QS, their production may be repressed under suboptimal growth conditions via mechanisms that still require elucidation. For many beneficial plant-associated bacteria, secondary metabolites such as phenazines are important for their competitive survival and plant-protective activities. Previous work established that phenazine biosynthesis in Pseudomonas chlororaphis 30-84 is regulated by the PhzR/PhzI QS system, which in turn is regulated by transcriptional regulator Pip, two-component system RpeA/RpeB and stationary phase/stress sigma factor RpoS. Disruption of MiaA, a tRNA modification enzyme, altered primary metabolism and growth leading to widespread effects on secondary metabolism, including reduced phenazine production and oxidative stress tolerance. Thus, the miaA mutant provided the opportunity to examine the regulation of phenazine production in response to altered metabolism and growth or stress tolerance. Despite the importance of MiaA for translation efficiency, the most significant effect of miaA disruption on phenazine production was the reduction in the transcription of phzR, phzI and pip, whereas neither the transcription nor translation of RpeB, a transcriptional regulator of pip, was affected. Constitutive expression of rpeB or pip in the miaA mutant completely restored phenazine production, but it resulted in further growth impairment. Constitutive expression of RpoS alleviated sensitivity to oxidative stress resulting from RpoS translation inefficiency in the miaA mutant, but it did not restore phenazine production. Our results support the model that cells curtail phenazine biosynthesis under suboptimal growth conditions via RpeB/Pip-mediated regulation of QS.
C1 [Yu, Jun Myoung; Pierson, Leland S., III; Pierson, Elizabeth A.] Texas A&M Univ, Dept Plant Pathol & Microbiol, College Stn, TX 77943 USA.
[Wang, Dongping] Los Alamos Natl Lab, Earth & Environm Sci, Los Alamos, NM 87544 USA.
[Pierson, Elizabeth A.] Texas A&M Univ, Dept Hort Sci, College Stn, TX 77943 USA.
RP Pierson, EA (reprint author), Texas A&M Univ, Dept Plant Pathol & Microbiol, College Stn, TX 77943 USA.; Pierson, EA (reprint author), Texas A&M Univ, Dept Hort Sci, College Stn, TX 77943 USA.
EM eapierson@tamu.edu
FU United States Department of Agriculture National Institute of Food and
Agriculture [2008-35319-04490]
FX This project was supported in part by United States Department of
Agriculture National Institute of Food and Agriculture award no.
2008-35319-04490.
NR 57
TC 0
Z9 0
U1 2
U2 2
PU MICROBIOLOGY SOC
PI LONDON
PA CHARLES DARWIN HOUSE, 12 ROGER ST, LONDON WC1N 2JU, ERKS, ENGLAND
SN 1350-0872
EI 1465-2080
J9 MICROBIOL-SGM
JI Microbiology-(UK)
PD JAN
PY 2017
VL 163
IS 1
BP 94
EP 108
DI 10.1099/mic.0.000409
PG 15
WC Microbiology
SC Microbiology
GA EN6ED
UT WOS:000396096400011
PM 27926818
ER
PT J
AU Willett, JW
Crosson, S
AF Willett, Jonathan W.
Crosson, Sean
TI Atypical modes of bacterial histidine kinase signaling
SO MOLECULAR MICROBIOLOGY
LA English
DT Review
ID PSEUDOMONAS-AERUGINOSA VIRULENCE; 2-COMPONENT REGULATORY SYSTEM;
RHODOBACTER-CAPSULATUS; TRANSDUCTION SYSTEM; BINDING SITE; RETS;
EXPRESSION; PROTEIN; REGB; ALPHAPROTEOBACTERIA
AB The environment of a cell has a profound influence on its physiology, development and evolution. Accordingly, the capacity to sense and respond to physical and chemical signals in the environment is an important feature of cellular biology. In bacteria, environmental sensory perception is often regulated by two-component signal transduction systems (TCSTs). Canonical TCST entails signal-induced autophosphorylation of a sensor histidine kinase (HK) followed by phosphoryl transfer to a cognate response regulator (RR) protein, which may affect gene expression at multiple levels. Recent studies provide evidence for systems that do not adhere to this archetypal TCST signaling model. We present selected examples of atypical modes of signal transduction including inactivation of HK activity via homo- and hetero oligomerization, and cross-phosphorylation between HKs. These examples highlight mechanisms bacteria use to integrate environmental signals to control complex adaptive processes.
C1 [Willett, Jonathan W.; Crosson, Sean] Univ Chicago, Dept Biochem & Mol Biol, 920 E 58Th St, Chicago, IL 60637 USA.
[Willett, Jonathan W.; Crosson, Sean] Univ Chicago, Argonne Natl Lab, Howard Taylor Ricketts Lab, Argonne, IL 60637 USA.
[Crosson, Sean] Univ Chicago, Dept Microbiol, Chicago, IL 60637 USA.
RP Crosson, S (reprint author), Univ Chicago, Dept Biochem & Mol Biol, 920 E 58Th St, Chicago, IL 60637 USA.; Crosson, S (reprint author), Univ Chicago, Argonne Natl Lab, Howard Taylor Ricketts Lab, Argonne, IL 60637 USA.; Crosson, S (reprint author), Univ Chicago, Dept Microbiol, Chicago, IL 60637 USA.
EM scros-son@uchicago.edu
FU National Institutes of Health [R01GM087353, R01AI107159]; NIH Ruth
Kirschstein Postdoctoral Fellowship [F32GM109661]
FX Authors thank members of the Crosson lab, Dr. Carl Bauer and Dr. Peter
Intile for helpful discussions. This work was supported by National
Institutes of Health grants R01GM087353 and R01AI107159 (S.C.). J.W.W.
is supported by an NIH Ruth Kirschstein Postdoctoral Fellowship
F32GM109661.
NR 51
TC 0
Z9 0
U1 1
U2 1
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0950-382X
EI 1365-2958
J9 MOL MICROBIOL
JI Mol. Microbiol.
PD JAN
PY 2017
VL 103
IS 2
BP 197
EP 202
DI 10.1111/mmi.13525
PG 6
WC Biochemistry & Molecular Biology; Microbiology
SC Biochemistry & Molecular Biology; Microbiology
GA EL5WG
UT WOS:000394691500002
PM 27618209
ER
PT J
AU Oakley, CE
Ahuja, M
Sun, WW
Entwistle, R
Akashi, T
Yaegashi, J
Guo, CJ
Cerqueira, GC
Wortman, JR
Wang, CCC
Chiang, YM
Oakley, BR
AF Oakley, C. Elizabeth
Ahuja, Manmeet
Sun, Wei-Wen
Entwistle, Ruth
Akashi, Tomohiro
Yaegashi, Junko
Guo, Chun-Jun
Cerqueira, Gustavo C.
Wortman, Jennifer Russo
Wang, Clay C. C.
Chiang, Yi-Ming
Oakley, Berl R.
TI Discovery of McrA, a master regulator of Aspergillus secondary
metabolism
SO MOLECULAR MICROBIOLOGY
LA English
DT Article
ID BIOSYNTHETIC GENE CLUSTERS; NIDULANS GPDA GENE; FILAMENTOUS FUNGI;
GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE; HETEROLOGOUS EXPRESSION;
AFLATOXIN BIOSYNTHESIS; CHEMICAL DIVERSITY; NATURAL-PRODUCTS; STRUCTURAL
GENE; SYSTEM
AB Fungal secondary metabolites (SMs) are extremely important in medicine and agriculture, but regulation of their biosynthesis is incompletely understood. We have developed a genetic screen in Aspergillus nidutans for negative regulators of fungal SM gene clusters and we have used this screen to isolate mutations that upregulate transcription of the non-ribosomal peptide synthetase gene required for nidulanin A biosynthesis. Several of these mutations are allelic and we have identified the mutant gene by genome sequencing. The gene, which we designate mcrA, is conserved but uncharacterized, and it encodes a putative transcription factor. Metabolite profiles of mcrA deletant, mcrA overexpressing, and parental strains reveal that mcrA regulates at least ten SM gene clusters. Deletion of mcrA stimulates SM production even in strains carrying a deletion of the SM regulator laeA, and deletion of mcrA homologs in Aspergillus terreus and Penicillum canescens alters the secondary metabolite profile of these organisms. Deleting mcrA in a genetic dereplication strain has allowed us to discover two novel compounds as well as an antibiotic not known to be produced by A. nidulans. Deletion of mcrA upregulates transcription of hundreds of genes including many that are involved in secondary metabolism, while downregulating a smaller number of genes.
C1 [Oakley, C. Elizabeth; Ahuja, Manmeet; Entwistle, Ruth; Oakley, Berl R.] Univ Kansas, Dept Mol Biosci, 1200 Sunnyside Ave, Lawrence, KS 66045 USA.
[Sun, Wei-Wen; Yaegashi, Junko; Guo, Chun-Jun; Wang, Clay C. C.; Chiang, Yi-Ming] Univ Southern Calif, Sch Pharm, Dept Pharmacol & Pharmaceut Sci, 1985 Zonal Ave, Los Angeles, CA 90089 USA.
[Akashi, Tomohiro] Nagoya Univ, Div OMICS Anal, Grad Sch Med, 65 Tsurumai, Nagoya, Aichi 4668550, Japan.
[Cerqueira, Gustavo C.; Wortman, Jennifer Russo] Broad Inst MIT & Harvard, Genome Sequencing & Anal Program, 415 Main St, Cambridge, MA 02142 USA.
[Wang, Clay C. C.] Univ Southern Calif, Dornsife Coll Letters Arts & Sci, Dept Chem, 1985 Zonal Ave, Los Angeles, CA 90089 USA.
[Chiang, Yi-Ming] Chia Nan Univ Pharm & Sci, Dept Pharm, Tainan 71710, Taiwan.
[Ahuja, Manmeet] Reliance Ind Ltd, Reliance Technol Grp, Ind Biotechnol Div, Reliance Corp Pk,Thane Belapur Rd, Bombay 400701, Maharashtra, India.
[Yaegashi, Junko] Joint BioEnergy Inst, 5885 Hollis St, Emberyville, CA 94608 USA.
[Yaegashi, Junko] Pacific Northwest Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA.
[Guo, Chun-Jun] Univ Calif San Francisco, Dept Bioengn & Therapeut Sci, 1700 4th St, San Francisco, CA 94143 USA.
RP Oakley, BR (reprint author), Univ Kansas, Dept Mol Biosci, 1200 Sunnyside Ave, Lawrence, KS 66045 USA.
EM boakley@ku.edu
FU National Institute of General Medical Sciences (NIGMS) of the National
Institutes of Health [P01-GM084077]; H. L. Snyder Medical Foundation;
Irving S. Johnson Fund of the University of Kansas Endowment; NIGMS
[P20GM103638]; National Institute of Allergy and Infectious Diseases at
the US National Institutes of Health [R01 AI077599]; JSPS [42619003]
FX We are grateful for funding support from the National Institute of
General Medical Sciences (NIGMS) of the National Institutes of Health
(P01-GM084077), the H. L. Snyder Medical Foundation, nd the Irving S.
Johnson Fund of the University of Kansas Endowment. Research reported in
this publication was made possible in part by the services of the KU
Genome Sequencing Core Laboratory, which is supported by NIGMS under
award number P20GM103638. We would also like to acknowledge the Division
for Medical Research Engineering, Nagoya University Graduate School of
Medicine for use of the MiSeq sequencer and related equipment. JRW and
GCC were funded by the National Institute of Allergy and Infectious
Diseases at the US National Institutes of Health (R01 AI077599). TA was
funded in part by JSPS Grant-in-Aid for Scientific Research (C) Grant
number 42619003. The authors declare no conflict of interests.
NR 87
TC 0
Z9 0
U1 4
U2 4
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0950-382X
EI 1365-2958
J9 MOL MICROBIOL
JI Mol. Microbiol.
PD JAN
PY 2017
VL 103
IS 2
BP 347
EP 365
DI 10.1111/mmi.13562
PG 19
WC Biochemistry & Molecular Biology; Microbiology
SC Biochemistry & Molecular Biology; Microbiology
GA EL5WG
UT WOS:000394691500013
PM 27775185
ER
PT J
AU Zhong, JQ
Zhou, X
Yuan, K
Wright, CA
Tadich, A
Qi, DC
Li, HX
Wu, K
Xu, GQ
Chen, W
AF Zhong, Jian-Qiang
Zhou, Xiong
Yuan, Kaidi
Wright, Christopher A.
Tadich, Anton
Qi, Dongchen
Li, He Xing
Wu, Kai
Xu, Guo Qin
Chen, Wei
TI Probing the effect of the Pt-Ni-Pt(111) bimetallic surface electronic
structures on the ammonia decomposition reaction
SO NANOSCALE
LA English
DT Article
ID PHOTOELECTRON-SPECTROSCOPY; NH3 DECOMPOSITION; ALLOY SURFACES; XPS
SPECTRA; PT(111); NI; ADSORPTION; CATALYSTS; HYDROGEN; NI/PT(111)
AB We report a detailed investigation of elementary catalytic decomposition of ammonia on the Pt-Ni-Pt(111) bimetallic surface using in situ near ambient pressure X-ray photoelectron spectroscopy. Under the near ambient pressure (0.6 mbar) reaction conditions, a different dehydrogenation pathway with a reduced activation energy barrier for recombinative nitrogen desorption on the Pt-Ni-Pt(111) bimetallic surface is observed. The unique surface catalytic activity is correlated with the downward shift of the Pt 5d band states induced by the Ni subsurface atoms via charge redistribution of the topmost Pt layer. Our results provide a practical understanding of the unique chemistry of bimetallic catalysts for facile ammonia decomposition under realistic reaction conditions.
C1 [Zhong, Jian-Qiang; Zhou, Xiong; Xu, Guo Qin; Chen, Wei] Natl Univ Singapore, Dept Chem, 3 Sci Dr 3, Singapore 117543, Singapore.
[Zhong, Jian-Qiang; Yuan, Kaidi; Chen, Wei] Natl Univ Singapore, Dept Phys, 2 Sci Dr 3, Singapore 117542, Singapore.
[Zhong, Jian-Qiang; Zhou, Xiong; Yuan, Kaidi; Wu, Kai; Xu, Guo Qin; Chen, Wei] Singapore Peking Univ Res Ctr, 1 CREATE Way 15-01,CREATE Tower, Singapore 138602, Singapore.
[Wright, Christopher A.; Tadich, Anton; Qi, Dongchen] La Trobe Univ, La Trobe Inst Mol Sci, Dept Chem & Phys, Melbourne, Vic 3086, Australia.
[Tadich, Anton] Australian Synchrotron, 800 Blackburn Rd, Clayton, Vic 3168, Australia.
[Li, He Xing] Shanghai Normal Univ, Chinese Educ Minist, Key Lab Resource Chem, Shanghai 200234, Peoples R China.
[Wu, Kai] Peking Univ, Coll Chem & Mol Engn, Beijing 100871, Peoples R China.
[Xu, Guo Qin; Chen, Wei] Natl Univ Singapore Suzhou, Res Inst, 377 Lin Quan St,Suzhou Ind Pk, Suzhou 215123, Jiangsu, Peoples R China.
[Zhong, Jian-Qiang] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
RP Zhong, JQ; Chen, W (reprint author), Natl Univ Singapore, Dept Chem, 3 Sci Dr 3, Singapore 117543, Singapore.; Zhong, JQ; Chen, W (reprint author), Natl Univ Singapore, Dept Phys, 2 Sci Dr 3, Singapore 117542, Singapore.; Zhong, JQ; Chen, W (reprint author), Singapore Peking Univ Res Ctr, 1 CREATE Way 15-01,CREATE Tower, Singapore 138602, Singapore.; Chen, W (reprint author), Natl Univ Singapore Suzhou, Res Inst, 377 Lin Quan St,Suzhou Ind Pk, Suzhou 215123, Jiangsu, Peoples R China.; Zhong, JQ (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
EM jzhong@bnl.gov; phycw@nus.edu.sg
RI CHEN, Wei/F-4658-2010
OI CHEN, Wei/0000-0002-1131-3585
FU Singapore Ministry of Education [R143-000-542-112]; National Research
Foundation Singapore; Singapore-Peking University Research Centre for a
Sustainable Low-Carbon Future (SPURc) grant [R-143-001-205-592];
Academia-Industry Collaborative Innovation Foundation from Jiangsu
Science and Technology Department [20121G00421, BY2014139]
FX The authors acknowledge Prof. B. S. Mun (GIST, Korea) for fruitful
discussions and kind assistance in revising the manuscript, and the
technical support from SPECS. We thank the financial support from the
Singapore Ministry of Education, grant R143-000-542-112, the National
Research Foundation Singapore for their funding support towards the
research programme, the Singapore-Peking University Research Centre for
a Sustainable Low-Carbon Future (SPURc), grant R-143-001-205-592, and
the Academia-Industry Collaborative Innovation Foundation from Jiangsu
Science and Technology Department (20121G00421, BY2014139). Synchrotron
based photoelectron measurements were undertaken on the soft X-ray
spectroscopy beamline at the Australian Synchrotron, Victoria,
Australia.
NR 38
TC 0
Z9 0
U1 3
U2 3
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 2017
VL 9
IS 2
BP 666
EP 672
DI 10.1039/c6nr08311k
PG 7
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EL7DB
UT WOS:000394780200024
PM 27942692
ER
PT J
AU Zarick, HF
Boulesbaa, A
Puretzky, AA
Talbert, EM
DeBra, ZR
Soetan, N
Geohegan, DB
Bardhan, R
AF Zarick, Holly F.
Boulesbaa, Abdelaziz
Puretzky, Alexander A.
Talbert, Eric M.
DeBra, Zachary R.
Soetan, Naiya
Geohegan, David B.
Bardhan, Rizia
TI Ultrafast carrier dynamics in bimetallic nanostructure-enhanced
methylammonium lead bromide perovskites
SO NANOSCALE
LA English
DT Article
ID SENSITIZED SOLAR-CELLS; ORGANOMETAL HALIDE PEROVSKITES; RESONANCE
ENERGY-TRANSFER; CONVERSION EFFICIENCY; METAL NANOPARTICLES; IODIDE
PEROVSKITES; PHOTOVOLTAIC CELLS; SURFACE-PLASMONS; SILICON DIOXIDE; GOLD
NANORODS
AB In this work, we examine the impact of hybrid bimetallic Au/Ag core/shell nanostructures on the carrier dynamics of methylammonium lead tribromide (MAPbBr(3)) mesoporous perovskite solar cells (PSCs). Plasmon-enhanced PSCs incorporated with Au/Ag nanostructures demonstrated improved light harvesting and increased power conversion efficiency by 26% relative to reference devices. Two complementary spectral techniques, transient absorption spectroscopy (TAS) and time-resolved photoluminescence (trPL), were employed to gain a mechanistic understanding of plasmonic enhancement processes. TAS revealed a decrease in the photobleach formation time, which suggests that the nanostructures improve hot carrier thermalization to an equilibrium distribution, relieving hot phonon bottleneck in MAPbBr3 perovskites. TAS also showed a decrease in carrier decay lifetimes, indicating that nanostructures enhance photoinduced carrier generation and promote efficient electron injection into TiO2 prior to bulk recombination. Furthermore, nanostructure-incorporated perovskite films demonstrated quenching in steady-state PL and decreases in trPL carrier lifetimes, providing further evidence of improved carrier injection in plasmon-enhanced mesoporous PSCs.
C1 [Zarick, Holly F.; Talbert, Eric M.; DeBra, Zachary R.; Soetan, Naiya; Bardhan, Rizia] Vanderbilt Univ, Dept Chem & Biomol Engn, 221 Kirkland Hall, Nashville, TN 37235 USA.
[Zarick, Holly F.; Talbert, Eric M.; DeBra, Zachary R.; Soetan, Naiya; Bardhan, Rizia] Vanderbilt Univ, Dept Mech Engn, Nashville, TN 37235 USA.
[Boulesbaa, Abdelaziz; Puretzky, Alexander A.; Geohegan, David B.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Bardhan, R (reprint author), Vanderbilt Univ, Dept Chem & Biomol Engn, 221 Kirkland Hall, Nashville, TN 37235 USA.; Bardhan, R (reprint author), Vanderbilt Univ, Dept Mech Engn, Nashville, TN 37235 USA.
EM rizia.bardhan@vanderbilt.edu
FU Vanderbilt University Discovery grant; NSF EPSCOR [NSF EPS1004083]; NSF
BRIGE [EEC 1342185]; Department of Education for Graduate Assistance in
Areas of National Need (GAANN) Fellowship [P0200A090323]; NSF EPS
[1004083]
FX HFZ acknowledges support from Vanderbilt University Discovery grant, NSF
EPSCOR (NSF EPS1004083), NSF BRIGE (EEC 1342185), and the Department of
Education for Graduate Assistance in Areas of National Need (GAANN)
Fellowship under grant number P0200A090323. EMT acknowledges the VINSE
fellowship and Vanderbilt start-up funds. TEM images were obtained with
an instrument supported by NSF EPS 1004083. Ultrafast and
photoluminescence measurements were conducted at the Center for
Nanophase Materials Sciences, which is a DOE Office of Science User
Facility.
NR 82
TC 1
Z9 1
U1 10
U2 10
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 2017
VL 9
IS 4
BP 1475
EP 1483
DI 10.1039/c6nr08347a
PG 9
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EM6KZ
UT WOS:000395422800015
PM 28067394
ER
PT J
AU Mangeri, J
Espinal, Y
Jokisaari, A
Alpay, SP
Nakhmanson, S
Heinonen, O
AF Mangeri, John
Espinal, Yomery
Jokisaari, Andrea
Alpay, S. Pamir
Nakhmanson, Serge
Heinonen, Olle
TI Topological phase transformations and intrinsic size effects in
ferroelectric nanoparticles
SO NANOSCALE
LA English
DT Article
ID BARIUM-TITANATE; NANOCRYSTALS; CAPACITORS; NANOCOMPOSITES; FABRICATION;
SKYRMIONS; MEMORIES; VORTICES; STORAGE; BATIO3
AB Composite materials comprised of ferroelectric nanoparticles in a dielectric matrix are being actively investigated for a variety of functional properties attractive for a wide range of novel electronic and energy harvesting devices. However, the dependence of these functionalities on shapes, sizes, orientation and mutual arrangement of ferroelectric particles is currently not fully understood. In this study, we utilize a time-dependent Ginzburg-Landau approach combined with coupled-physics finite-element-method based simulations to elucidate the behavior of polarization in isolated spherical PbTiO3 or BaTiO3 nanoparticles embedded in a dielectric medium, including air. The equilibrium polarization topology is strongly affected by particle diameter, as well as the choice of inclusion and matrix materials, with monodomain, vortex-like and multidomain patterns emerging for various combinations of size and materials parameters. This leads to radically different polarization vs. electric field responses, resulting in highly tunable size-dependent dielectric properties that should be possible to observe experimentally. Our calculations show that there is a critical particle size below which ferroelectricity vanishes. For the PbTiO3 particle, this size is 2 and 3.4 nm, respectively, for high-and low-permittivity media. For the BaTiO3 particle, it is similar to 3.6 nm regardless of the medium dielectric strength.
C1 [Mangeri, John; Alpay, S. Pamir; Nakhmanson, Serge] Univ Connecticut, Dept Phys, Storrs, CT USA.
[Espinal, Yomery; Alpay, S. Pamir; Nakhmanson, Serge] Univ Connecticut, Dept Mat Sci & Engn, Storrs, CT USA.
[Jokisaari, Andrea; Heinonen, Olle] Northwestern Univ, Ctr Hierarch Mat Design, Northwestern Argonne Inst Sci & Engn, Evanston, IL USA.
[Alpay, S. Pamir; Nakhmanson, Serge] Univ Connecticut, Inst Mat Sci, Storrs, CT USA.
[Heinonen, Olle] Argonne Natl Lab, Mat Sci Div, Lemont, IL USA.
RP Mangeri, J (reprint author), Univ Connecticut, Dept Phys, Storrs, CT USA.; Heinonen, O (reprint author), Northwestern Univ, Ctr Hierarch Mat Design, Northwestern Argonne Inst Sci & Engn, Evanston, IL USA.; Heinonen, O (reprint author), Argonne Natl Lab, Mat Sci Div, Lemont, IL USA.
EM john.mangeri@uconn.edu; heinonen@anl.gov
FU U.S. Department of Energy, Office of Science, Office of Workforce
Development for Teachers and Scientists, Office of Science Graduate
Student Research (SCGSR) program; ORAU [DE-SC0014664]; US Department of
Energy, Office of Science, Basic Energy Sciences, Division of Materials
Science and Engineering; U.S. Department of Commerce, National Institute
of Standards and Technology as part of the Center for Hierarchical
Material Design (CHiMaD) [70NANB14H012]
FX The authors are indebted to Dmitry Karpeyev for significant
contributions to the FERRET repository. J. M. acknowledges funding
support from the U.S. Department of Energy, Office of Science, Office of
Workforce Development for Teachers and Scientists, Office of Science
Graduate Student Research (SCGSR) program. The SCGSR program is
administered by the Oak Ridge Institute for Science and Education
(ORISE) for the DOE. ORISE is managed by ORAU under contract number
DE-SC0014664. The work by O. H. was funded by the US Department of
Energy, Office of Science, Basic Energy Sciences, Division of Materials
Science and Engineering. The work of A. M. J. was performed under
financial assistance award 70NANB14H012 from U.S. Department of
Commerce, National Institute of Standards and Technology as part of the
Center for Hierarchical Material Design (CHiMaD). J. M. would also like
to thank Candost Akkaya for a helpful discussion.
NR 57
TC 0
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U1 8
U2 8
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 2017
VL 9
IS 4
BP 1616
EP 1624
DI 10.1039/c6nr09111c
PG 9
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EM6KZ
UT WOS:000395422800032
PM 28074199
ER
PT J
AU Li, Y
Hodak, M
Lu, WC
Bernholc, J
AF Li, Yan
Hodak, Miroslav
Lu, Wenchang
Bernholc, J.
TI Selective sensing of ethylene and glucose using carbon-nanotube-based
sensors: an ab initio investigation
SO NANOSCALE
LA English
DT Article
ID BIOSENSORS; NANOPARTICLES; PHOSPHORENE; ARRAYS; LAYER
AB Functionalized carbon nanotubes have great potential for nanoscale sensing applications, yet many aspects of their sensing mechanisms are not understood. Here, two paradigmatic sensor configurations for detection of biologically important molecules are investigated through ab initio calculations: a non-covalently functionalized nanotube for glucose detection and a covalently functionalized nanotube for ethylene detection. Glucose and ethylene control key life processes of humans and plants, respectively, despite of their structural and chemical simplicity. The sensors' electrical conductance and transmission coefficients are evaluated at the full density-functional theory level via the non-equilibrium Green's function method. We also investigate the effects of the density of the receptors, the band gaps of the nanotubes, the source-drain voltages, and the atomic modification of the receptor on detection sensitivities. A clear atomistic picture emerges about the mechanisms involved in glucose and ethylene sensing. While semiconducting nanotubes exhibit good sensitivities in both cases, the current through metallic nanotubes is only weakly affected by analyte attachment. These quantitative results could guide the design of improved sensors.
C1 [Li, Yan; Hodak, Miroslav; Lu, Wenchang; Bernholc, J.] North Carolina State Univ, Ctr High Performance Simulat, Raleigh, NC 27695 USA.
[Li, Yan; Hodak, Miroslav; Lu, Wenchang; Bernholc, J.] North Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA.
[Lu, Wenchang; Bernholc, J.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
RP Li, Y; Bernholc, J (reprint author), North Carolina State Univ, Ctr High Performance Simulat, Raleigh, NC 27695 USA.; Li, Y; Bernholc, J (reprint author), North Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA.; Bernholc, J (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
EM yli26@ncsu.edu; bernholc@ncsu.edu
FU DOE [DE-FG02-98ER45685]; NSF [OCI-1036215]
FX This work was supported by DOE DE-FG02-98ER45685. Petascale code
development was funded by NSF ACI-1339844. The supercomputer time was
provided by NSF grant OCI-1036215 at the National Center for
Supercomputing Applications (NSF OCI-0725070 and ACI-1238993) and by DOE
at the National Center for Computational Sciences at ORNL.
NR 44
TC 0
Z9 0
U1 3
U2 3
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 2017
VL 9
IS 4
BP 1687
EP 1698
DI 10.1039/c6nr07371a
PG 12
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EM6KZ
UT WOS:000395422800040
PM 28084486
ER
PT J
AU Kumar, S
Davila, N
Wang, ZW
Huang, XP
Strachan, JP
Vine, D
Kilcoyne, ALD
Nishi, Y
Williams, RS
AF Kumar, Suhas
Davila, Noraica
Wang, Ziwen
Huang, Xiaopeng
Strachan, John Paul
Vine, David
Kilcoyne, A. L. David
Nishi, Yoshio
Williams, R. Stanley
TI Spatially uniform resistance switching of low current, high endurance
titanium-niobium-oxide memristors
SO NANOSCALE
LA English
DT Article
ID CONDUCTING CHANNELS; THIN-FILMS; MODEL; SPECTROMICROSCOPY; TIO2; RRAM
AB We analyzed micrometer-scale titanium-niobium-oxide prototype memristors, which exhibited low write-power (<3 mu W) and energy (<200 fJ per bit per mu m(2)), low read-power (similar to nW), and high endurance (>millions of cycles). To understand their physico-chemical operating mechanisms, we performed in operando synchrotron X-ray transmission nanoscale spectromicroscopy using an ultrasensitive time-multiplexed technique. We observed only spatially uniform material changes during cell operation, in sharp contrast to the frequently detected formation of a localized conduction channel in transition-metal-oxide memristors. We also associated the response of assigned spectral features distinctly to non-volatile storage (resistance change) and writing of information (application of voltage and Joule heating). These results provide critical insights into high-performance memristors that will aid in device design, scaling and predictive circuit-modeling, all of which are essential for the widespread deployment of successful memristor applications.
C1 [Kumar, Suhas; Davila, Noraica; Huang, Xiaopeng; Strachan, John Paul; Williams, R. Stanley] Hewlett Packard Labs, 1501 Page Mill Rd, Palo Alto, CA 94304 USA.
[Wang, Ziwen; Nishi, Yoshio] Stanford Univ, Stanford, CA 94305 USA.
[Vine, David; Kilcoyne, A. L. David] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Kumar, S; Williams, RS (reprint author), Hewlett Packard Labs, 1501 Page Mill Rd, Palo Alto, CA 94304 USA.
EM suhas.kumar@hpe.com; stan.williams@hpe.com
RI Kilcoyne, David/I-1465-2013
FU Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy [DE-AC02-05CH11231]; National Science Foundation
through the NNIN [ECS-9731293]
FX Synchrotron measurements were performed at the Advanced Light Source
(ALS), beamlines 5.3.2.2 and 11.0.2, at Lawrence Berkeley National
Laboratory, Berkeley, CA, USA. The ALS is supported by the Director,
Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231. Work was
performed in part at the Stanford Nanofabrication Facility which is
supported by National Science Foundation through the NNIN under Grant
ECS-9731293.
NR 30
TC 0
Z9 0
U1 9
U2 9
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 2017
VL 9
IS 5
BP 1793
EP 1798
DI 10.1039/c6nr07671h
PG 6
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EM8XL
UT WOS:000395594300003
PM 27906408
ER
PT J
AU Ferdeghini, F
Berrod, Q
Zanotti, JM
Judeinstein, P
Sakai, VG
Czakkel, O
Fouquet, P
Constantin, D
AF Ferdeghini, Filippo
Berrod, Quentin
Zanotti, Jean-Marc
Judeinstein, Patrick
Sakai, Victoria Garcia
Czakkel, Orsolya
Fouquet, Peter
Constantin, Doru
TI Nanostructuration of ionic liquids: impact on the cation mobility. A
multi-scale study
SO NANOSCALE
LA English
DT Article
ID LOCALIZED TRANSLATIONAL MOTION; NEUTRON-SCATTERING; PHYSICOCHEMICAL
PROPERTIES; GAUSSIAN MODEL; DYNAMICS; DIFFUSION; WATER
AB When probed at the macroscopic scale, Ionic Liquids (ILs) behave as highly dissociated (i.e. strong) electrolytes while, at the molecular scale, they show clear characteristics of weak ionic solutions. The multi-scale analysis we report in this paper reconciles these apparently at odds behaviors. We investigate by quasi-elastic neutron scattering (QENS) and neutron spin-echo (NSE), the nanometer/nanosecond dynamics of OMIM-BF4, an imidazolium-based IL showing strong nanostructuration. We also probe the same IL on the microscopic (mu m and ms) scale by pulsed field gradient NMR. To interpret the neutron data, we introduce a new physical model to account for the dynamics of the side-chains and for the diffusion of the whole molecule. This model describes the observables over the whole and unprecedented investigated spatial ([0.15-1.65]angstrom(-1)) and time ([0.5-2000] ps) ranges. We arrive at a coherent and unified structural/dynamical description of the local cation dynamics: a localized motion within the IL nanometric domains is combined with a genuine long-range translational motion. The QENS, NSE and NMR experiments describe the same long-range translational process, but probed at different scales. The associated diffusion coefficients are more than one order of magnitude different. We show how this apparent discrepancy is a manifestation of the IL nanostructuration.
C1 [Ferdeghini, Filippo; Berrod, Quentin; Zanotti, Jean-Marc; Judeinstein, Patrick] Univ Paris Saclay, CNRS, CEA, Lab Leon Brillouin, F-91191 Gif Sur Yvette, France.
[Sakai, Victoria Garcia] Rutherford Appleton Lab, ISIS Neutron & Muon Facil, Didcot OX11 0QX, Oxon, England.
[Czakkel, Orsolya; Fouquet, Peter] Inst Laue Langevin, F-38042 Grenoble, France.
[Judeinstein, Patrick; Constantin, Doru] Univ Paris Saclay, Univ Paris Sud, Lab Phys Solides, CNRS, F-91405 Orsay, France.
[Berrod, Quentin] Lawrence Berkeley Natl Lab, Energy Storage Grp, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
RP Zanotti, JM (reprint author), Univ Paris Saclay, CNRS, CEA, Lab Leon Brillouin, F-91191 Gif Sur Yvette, France.
EM jmzanotti@cea.fr
OI Ferdeghini, Filippo/0000-0003-3292-5094; Zanotti,
Jean-Marc/0000-0001-6474-3944
FU Programme CEA transverse NTE; CEA-Enhanced Eurotalents program - FP7
Marie-Sklodowska-Curie COFUND program [600382]
FX The authors thank Priscillia Soudant and Cristina Iojoiu (LEPMI,
Grenoble) for providing access to the NMR spectrometer. FF, QB, PJ and
JMZ thank the Programme CEA transverse NTE for funding. QB was supported
by an Outgoing CEA fellowship from the CEA-Enhanced Eurotalents program,
co-funded by FP7 Marie-Sklodowska-Curie COFUND program (Grant Agreement
600382).
NR 32
TC 0
Z9 0
U1 5
U2 5
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 2017
VL 9
IS 5
BP 1901
EP 1908
DI 10.1039/c6nr07604a
PG 8
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EM8XL
UT WOS:000395594300018
PM 28094396
ER
PT J
AU Aryal, D
Grest, GS
Perahia, D
AF Aryal, Dipak
Grest, Gary S.
Perahia, Dvora
TI Soft nanoparticles: nano ionic networks of associated ionic polymers
SO NANOSCALE
LA English
DT Article
ID SULFONATED PENTABLOCK COPOLYMER; CRITICAL MICELLE TEMPERATURE; ATOM
FORCE-FIELD; X-RAY-SCATTERING; BLOCK-COPOLYMERS; POLYSTYRENE IONOMERS;
PHASE-BEHAVIOR; PHYSICAL-PROPERTIES; MORPHOLOGY; SOLVENTS
AB Directing the formation of nanostructures that serve as building blocks of membranes presents an immense step towards engineering controlled polymeric ion transport systems. Using the exquisite atomic detail captured by molecular dynamics simulations, we follow the assembly of a co-polymer that consists of polystyrene sulfonate tethered symmetrically to hydrophobic blocks, realizing a new type of long lived solvent-responsive soft nanoparticle.
C1 [Aryal, Dipak; Perahia, Dvora] Clemson Univ, Dept Chem, Clemson, SC 29634 USA.
[Grest, Gary S.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
RP Perahia, D (reprint author), Clemson Univ, Dept Chem, Clemson, SC 29634 USA.
EM dperahi@g.clemson.edu
FU DOE [DE-FG02-12ER46843]; Office of Science of the United States
Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy's
National Nuclear Security Administration [DE-AC04-94AL85000]
FX We thank Carl L. Willis and Marc Charendoff for helpful discussions. The
authors gratefully acknowledge financial support from DOE Grant No.
DE-FG02-12ER46843. This research used resources at the National Energy
Research Scientific Computing Center, which is supported by the Office
of Science of the United States Department of Energy under Contract No.
DE-AC02-05CH11231. This work was made possible by advanced computational
resources deployed and maintained by Clemson Computing and Information
Technology. This work was performed, in part, at the Center for
Integrated Nanotechnologies, a U.S. Department of Energy and 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 No. DE-AC04-94AL85000.
NR 48
TC 0
Z9 0
U1 4
U2 4
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 2017
VL 9
IS 6
BP 2117
EP 2122
DI 10.1039/c6nr09206c
PG 6
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EM9JB
UT WOS:000395626600002
PM 27976769
ER
PT J
AU Wang, L
Kruk, S
Xu, L
Rahmani, M
Smirnova, D
Solntsev, A
Kravchenko, I
Neshev, D
Kivshar, Y
AF Wang, Lei
Kruk, Sergey
Xu, Lei
Rahmani, Mohsen
Smirnova, Daria
Solntsev, Alexander
Kravchenko, Ivan
Neshev, Dragomir
Kivshar, Yuri
TI Shaping the third-harmonic radiation from silicon nanodimers
SO NANOSCALE
LA English
DT Article
ID 2ND-HARMONIC GENERATION; PLASMONIC NANOSTRUCTURES; DIELECTRIC
NANOANTENNAS; DIRECTIONAL SCATTERING; NANOPARTICLES DRIVEN;
HARMONIC-GENERATION; LIGHT-SCATTERING; ENHANCEMENT; RESONANCES; DIMERS
AB Recent progress in the study of resonant light confinement in high-index dielectric nanostructures suggests a new route for achieving efficient control of both electric and magnetic components of light. It also leads to the enhancement of nonlinear effects near electric and magnetic Mie resonances with an engineered radiation directionality. Here we study the third-harmonic generation from dimers composed of pairs of two identical silicon nanoparticles and demonstrate, both numerically and experimentally, that the multipolar harmonic modes generated by the dimers near the Mie resonances allow the shaping of the directionality of nonlinear radiation.
C1 [Wang, Lei; Kruk, Sergey; Xu, Lei; Rahmani, Mohsen; Smirnova, Daria; Solntsev, Alexander; Neshev, Dragomir; Kivshar, Yuri] Australian Natl Univ, Res Sch Phys & Engn, Nonlinear Phys Ctr, Canberra, ACT 2601, Australia.
[Xu, Lei] Nankai Univ, Sch Phys, MOE Key Lab Weak Light Nonlinear Photon, Tianjin 300457, Peoples R China.
[Xu, Lei] Nankai Univ, TEDA Appl Phys Inst, Tianjin 300457, Peoples R China.
[Smirnova, Daria] Inst Appl Phys, Nizhnii Novgorod 603950, Russia.
[Kravchenko, Ivan] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Kivshar, Y (reprint author), Australian Natl Univ, Res Sch Phys & Engn, Nonlinear Phys Ctr, Canberra, ACT 2601, Australia.
EM yuri.kivshar@anu.edu.au
RI Kravchenko, Ivan/K-3022-2015;
OI Kravchenko, Ivan/0000-0003-4999-5822; Solntsev,
Alexander/0000-0003-4981-9730
FU Australian Research Council
FX This work has been supported by the Australian Research Council.
NR 38
TC 0
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U1 1
U2 1
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 2017
VL 9
IS 6
BP 2201
EP 2206
DI 10.1039/c6nr09702b
PG 6
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EM9JB
UT WOS:000395626600013
PM 28144660
ER
PT J
AU Keiter, DA
Beasley, JC
AF Keiter, David A.
Beasley, James C.
TI Hog Heaven? Challenges of Managing Introduced Wild Pigs in Natural Areas
SO NATURAL AREAS JOURNAL
LA English
DT Article
DE adaptive management; control techniques; invasive species; population
management; Sus scrofa
ID BOAR SUS-SCROFA; HIGH HUNTING PRESSURE; WHITE-TAILED DEER; FERAL SWINE;
SOUTHERN TEXAS; CALIFORNIA GRASSLAND; POPULATION-DYNAMICS; VEHICLE
COLLISIONS; TRAPPING SUCCESS; RANGE EXPANSION
AB The geographic distribution and size of wild pig (Sus scrofa) populations has rapidly expanded in recent years globally, resulting in increased impacts on natural and anthropogenic environments. In this review, we discuss the impacts of wild pigs on native ecosystems in terms of habitat degradation, competition with and depredation of native species, and disease transmission, and highlight recent developments in population control techniques, including areas where further research is required. We also provide an overview of many of the behavioral and demographic characteristics that make it difficult to control wild pigs and additional factors affecting the success of pig management programs in natural areas. Finally, based upon our review of contemporary research and successfully conducted pig eradication campaigns, we provide recommendations for the development of effective wild pig management programs. Overall, we recommend (1) managers implement strategies to detect wild pigs prior to the establishment of stable, breeding populations, (2) management strategies be tailored to specific regional habitat and climatic characteristics, and (3) control be implemented within an adaptive management framework, when possible, to allow further refinement of management objectives and improved characterization of the effects of wild pigs on natural areas.
C1 [Keiter, David A.; Beasley, James C.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA.
[Keiter, David A.; Beasley, James C.] Univ Georgia, DB Warnell Sch Forestry & Nat Resources, Athens, GA 30605 USA.
RP Keiter, DA (reprint author), Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA.; Keiter, DA (reprint author), Univ Georgia, DB Warnell Sch Forestry & Nat Resources, Athens, GA 30605 USA.
EM david.keiter@gmail.com
FU Department of Energy Office of Environmental Management
[DE-FC09-07SR22506]
FX We would like to thank Craig R. Hicks and Joseph G. Martin for their
valuable insights into the management of wild pigs in the northern U.S.
We also thank J.J. Mayer and P. Schlichting for their feedback on
previous drafts of this work. This material is based upon work supported
by the Department of Energy Office of Environmental Management under
Award Number DE-FC09-07SR22506 to the University of Georgia Research
Foundation.
NR 107
TC 0
Z9 0
U1 3
U2 3
PU NATURAL AREAS ASSOC
PI ROCKFORD
PA 320 SOUTH THIRD ST, ROCKFORD, IL 61104 USA
SN 0885-8608
EI 2162-4399
J9 NAT AREA J
JI Nat. Areas J.
PD JAN
PY 2017
VL 37
IS 1
BP 6
EP 16
PG 11
WC Ecology; Forestry
SC Environmental Sciences & Ecology; Forestry
GA EM3IM
UT WOS:000395208300001
ER
PT S
AU Watkins, JM
DePaolo, DJ
Watson, EB
AF Watkins, James M.
DePaolo, Donald J.
Watson, E. Bruce
BE Teng, FZ
Watkins, J
Dauphas, N
TI Kinetic Fractionation of Non-Traditional Stable Isotopes by Diffusion
and Crystal Growth Reactions
SO NON-TRADITIONAL STABLE ISOTOPES
SE Reviews in Mineralogy & Geochemistry
LA English
DT Review; Book Chapter
ID X-RAY REFLECTIVITY; MOLECULAR-DYNAMICS SIMULATIONS; INORGANIC CALCITE
FORMATION; WATER GAS TRANSFER; SILICATE MELTS; SORET DIFFUSION;
TRACE-ELEMENT; LIQUID WATER; CA-44/CA-40 FRACTIONATION; ORTHOCLASE
(001)-WATER
C1 [Watkins, James M.] Univ Oregon, Dept Geol Sci, Eugene, OR 97403 USA.
[DePaolo, Donald J.] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA USA.
[DePaolo, Donald J.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.
[Watson, E. Bruce] Rensselaer Polytech Inst, Dept Geol, Troy, NY 12180 USA.
RP Watkins, JM (reprint author), Univ Oregon, Dept Geol Sci, Eugene, OR 97403 USA.
EM watkins4@uoregon.edu; DJDepaolo@lbl.gov; watsoe@rpi.edu
NR 124
TC 0
Z9 0
U1 1
U2 1
PU MINERALOGICAL SOC AMER & GEOCHEMICAL SOC
PI CHANTILLY
PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA
SN 1529-6466
BN 978-0-939950-98-0
J9 REV MINERAL GEOCHEM
JI Rev. Mineral. Geochem.
PY 2017
VL 82
BP 85
EP 125
DI 10.2138/rmg.2017.82.4
D2 10.1515/9783110545630
PG 41
WC Geochemistry & Geophysics; Mineralogy
SC Geochemistry & Geophysics; Mineralogy
GA BG9WC
UT WOS:000393934200004
ER
PT J
AU Ashton, NK
Liss, SA
Walker, RW
Brown, RS
Klassen, C
Backhouse, S
Bates, P
Townsend, RL
AF Ashton, Neil K.
Liss, Stephanie A.
Walker, Ricardo W.
Brown, Richard S.
Klassen, Cheryl
Backhouse, Stephanie
Bates, Phil
Townsend, Richard L.
TI How Low Can You Go? Determining a Size Threshold for Implantation of a
New Acoustic Transmitter in Age-0 White Sturgeon
SO NORTHWEST SCIENCE
LA English
DT Article
DE behavior; juvenile sturgeon; movement; size-dependent effects; telemetry
ID JUVENILE CHINOOK SALMON; ACIPENSER-FULVESCENS RAFINESQUE; LAKE STURGEON;
SWIMMING PERFORMANCE; SHORTNOSE STURGEON; KOOTENAI RIVER; COLUMBIA
RIVER; GROWTH; SURVIVAL; TRANSMONTANUS
AB Telemetry studies are often used to investigate sturgeon habitat use and movement patterns; however, existing acoustic transmitters are generally too large to implant into age-0 sturgeon without harming the fish. Recent development of a miniaturized acoustic transmitter (cylindrical, 0.7 g in air, 24.2 mm long, 5.0 mm diameter) with up to 365 d battery life has the potential to advance our understanding of age-0 sturgeon ecology in rivers and lakes. Prior to use in field studies, it is essential to conduct experiments evaluating potential adverse transmitter effects on fish. We tested transmitter retention, fish survival, and growth of a broad size range of age-0 white sturgeon (Acipenser transmontanus; 158-277 mm fork length; 26-126 g; 0.6-2.6% transmitter burden) in an 84 d laboratory study, with an ultimate goal of determining a minimum size threshold of sturgeon that can be implanted with this acoustic transmitter. At 84 d post-implantation, transmitter retention and fish survival were 100%. Specific growth rates were reduced at 7 and 14 d post-implantation, resulting in minimum fork length thresholds of 250 and 171 mm, respectively. Juveniles implanted with transmitters regained their growth potential by 28 d post-implantation and no size differences were detected in comparisons with unmarked control fish. This study demonstrates the ability to implant small age-0 sturgeon with high transmitter retention and fish survival, and only minor growth effects. Use of new miniaturized acoustic transmitters may give researchers a means to address questions about young-of-the-year fish recruitment, ecological patterns, and potentially advance conservation management of sturgeon populations.
C1 [Ashton, Neil K.; Liss, Stephanie A.; Walker, Ricardo W.; Brown, Richard S.] Pacific Northwest Natl Lab, 902 Battelle Blvd POB 999, Richland, WA 99354 USA.
[Klassen, Cheryl; Backhouse, Stephanie] Manitoba Hydro, 19 Henlow Bay, Winnipeg, MB R3Y 1G4, Canada.
[Bates, Phil] Idaho Power Co, 1221 W Idaho St, Boise, ID 83702 USA.
[Townsend, Richard L.] Univ Washington, 1410 NE Campus Pkwy,POB 355852, Seattle, WA 98195 USA.
[Ashton, Neil K.] Univ Idaho, 709 S Deakin St, Moscow, ID 83844 USA.
[Walker, Ricardo W.] US Army Corps Engineers, 333 SW 1st Ave 200, Portland, OR 97204 USA.
RP Liss, SA (reprint author), Pacific Northwest Natl Lab, 902 Battelle Blvd POB 999, Richland, WA 99354 USA.
EM stephanie.liss@pnnl.gov
FU Manitoba Hydro; Idaho Power Company; Laboratory Directed Research and
Development Program at the Pacific Northwest National Laboratory (PNNL)
FX We thank Manitoba Hydro, Idaho Power Company, and the Laboratory
Directed Research and Development Program at the Pacific Northwest
National Laboratory (PNNL) for funding support. We would also like to
thank the Washington Department of Fish and Wildlife Columbia Basin
Hatchery for providing us with sturgeon and PNNL staff who were
instrumental in this study: Z. Daniel Deng and Huidong Li for acoustic
transmitter development, Tim Linley for his assistance in fish husbandry
and laboratory use, and Jill Janak, Sadie Montgomery, Jose Vasquez,
Ethan Green, and Erika Cutsforth for their assistance with implantation.
NR 38
TC 0
Z9 0
U1 1
U2 1
PU NORTHWEST SCIENTIFIC ASSOC
PI SEATTLE
PA JEFFREY DUDA, USGS, WESTERN FISHERIES RES CTR, 6505 NE 65 ST, SEATTLE,
WA 98115 USA
SN 0029-344X
EI 2161-9859
J9 NORTHWEST SCI
JI Northwest Sci.
PD JAN
PY 2017
VL 91
IS 1
BP 69
EP 80
PG 12
WC Ecology
SC Environmental Sciences & Ecology
GA EM2SB
UT WOS:000395164800007
ER
PT J
AU Li, PE
Lo, CC
Anderson, JJ
Davenport, KW
Bishop-Lilly, KA
Xu, Y
Ahmed, S
Feng, SH
Mokashi, VP
Chain, PSG
AF Li, Po-E
Lo, Chien-Chi
Anderson, Joseph J.
Davenport, Karen W.
Bishop-Lilly, Kimberly A.
Xu, Yan
Ahmed, Sanaa
Feng, Shihai
Mokashi, Vishwesh P.
Chain, Patrick S. G.
TI Enabling the democratization of the genomics revolution with a fully
integrated web-based bioinformatics platform
SO NUCLEIC ACIDS RESEARCH
LA English
DT Article
ID MICROBIAL GENOMES; SEQUENCING DATA; SINGLE-CELL; ANNOTATION;
CLASSIFICATION; IDENTIFICATION; SURVEILLANCE; VALIDATION; ALIGNMENTS;
BROWSER
AB Continued advancements in sequencing technologies have fueled the development of new sequencing applications and promise to flood current databases with raw data. A number of factors prevent the seamless and easy use of these data, including the breadth of project goals, the wide array of tools that individually perform fractions of any given analysis, the large number of associated software/hardware dependencies, and the detailed expertise required to perform these analyses. To address these issues, we have developed an intuitive web-based environment with a wide assortment of integrated and cuttingedge bioinformatics tools in pre-configured workflows. These workflows, coupled with the ease of use of the environment, provide even novice next-generation sequencing users with the ability to perform many complex analyses with only a few mouse clicks and, within the context of the same environment, to visualize and further interrogate their results. This bioinformatics platform is an initial attempt at Empowering the Development of Genomics Expertise ( EDGE) in a wide range of applications for microbial research.
C1 [Li, Po-E; Lo, Chien-Chi; Davenport, Karen W.; Xu, Yan; Ahmed, Sanaa; Feng, Shihai; Chain, Patrick S. G.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA.
[Anderson, Joseph J.] Def Threat Reduct Agcy, Ft Belvoir, VA 22060 USA.
[Anderson, Joseph J.; Bishop-Lilly, Kimberly A.; Mokashi, Vishwesh P.] Naval Med Res Ctr Frederick, Ft Detrick, MD 21702 USA.
[Bishop-Lilly, Kimberly A.] Henry M Jackson Fdn, Bethesda, MD 20817 USA.
RP Chain, PSG (reprint author), Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA.
EM pchain@lanl.gov
FU Defense Threat Reduction Agency [CB4026, CB10152]
FX Defense Threat Reduction Agency [CB4026 to Naval Medical Research
Center]; Defense Threat Reduction Agency [CB10152 to Los Alamos National
Laboratory]. Funding for open access charge: Defense Threat Reduction
Agency [CB10152].
NR 55
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U1 2
U2 2
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0305-1048
EI 1362-4962
J9 NUCLEIC ACIDS RES
JI Nucleic Acids Res.
PD JAN
PY 2017
VL 45
IS 1
BP 67
EP 80
DI 10.1093/nar/gkw1027
PG 14
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EO3DM
UT WOS:000396575100011
PM 27899609
ER
PT J
AU Apel, AR
d'Espaux, L
Wehrs, M
Sachs, D
Li, RA
Tong, GJ
Garber, M
Nnadi, O
Zhuang, W
Hillson, NJ
Keasling, JD
Mukhopadhyay, A
AF Apel, Amanda Reider
d'Espaux, Leo
Wehrs, Maren
Sachs, Daniel
Li, Rachel A.
Tong, Gary J.
Garber, Megan
Nnadi, Oge
Zhuang, William
Hillson, Nathan J.
Keasling, Jay D.
Mukhopadhyay, Aindrila
TI A Cas9-based toolkit to program gene expression in Saccharomyces
cerevisiae
SO NUCLEIC ACIDS RESEARCH
LA English
DT Article
ID METABOLIC ENGINEERING APPLICATIONS; MARKER CASSETTES; BUDDING YEAST;
CRISPR-CAS; INTEGRATION; PROTEINS; PATHWAYS; BIOSYNTHESIS; LANDSCAPE;
BINDING
AB Despite the extensive use of Saccharomyces cere-visiae as a platform for synthetic biology, strain engineering remains slow and laborious. Here, we employ CRISPR/Cas9 technology to build a cloning-free toolkit that addresses commonly encountered obstacles in metabolic engineering, including chromosomal integration locus and promoter selection, as well as protein localization and solubility. The toolkit includes 23 Cas9-sgRNA plasmids, 37 promoters of various strengths and temporal expression profiles, and 10 protein-localization, degradation and solubility tags. We facilitated the use of these parts via a web-based tool, that automates the generation of DNA fragments for integration. Our system builds upon existing gene editing methods in the thoroughness with which the parts are standardized and characterized, the types and number of parts available and the ease with which our methodology can be used to perform genetic edits in yeast. We demonstrated the applicability of this toolkit by optimizing the expression of a challenging but industrially important enzyme, taxadiene synthase (TXS). This approach enabled us to diagnose an issue with TXS solubility, the resolution of which yielded a 25-fold improvement in taxadiene production.
C1 [Apel, Amanda Reider; d'Espaux, Leo; Wehrs, Maren; Sachs, Daniel; Li, Rachel A.; Tong, Gary J.; Garber, Megan; Nnadi, Oge; Hillson, Nathan J.; Keasling, Jay D.; Mukhopadhyay, Aindrila] DOE Joint BioEnergy Inst, Emeryville, CA 94608 USA.
[Apel, Amanda Reider; d'Espaux, Leo; Wehrs, Maren; Sachs, Daniel; Tong, Gary J.; Garber, Megan; Nnadi, Oge; Hillson, Nathan J.; Keasling, Jay D.; Mukhopadhyay, Aindrila] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA.
[Li, Rachel A.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.
[Zhuang, William; Keasling, Jay D.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Hillson, Nathan J.] DOE Joint Genome Inst, Walnut Creek, CA 94598 USA.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94709 USA.
[Keasling, Jay D.] Tech Univ Denmark, Novo Nordisk Fdn Ctr Sustainabil, DK-2800 Lyngby, Denmark.
RP Mukhopadhyay, A (reprint author), DOE Joint BioEnergy Inst, Emeryville, CA 94608 USA.; Mukhopadhyay, A (reprint author), Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA.
EM amukhopadhyay@lbl.gov
FU U.S. Department of Energy, Office of Science, Office of Biological and
Environmental Research [DE-AC02-05CH11231]; Lawrence Berkeley National
Laboratory [DE-AC02-05CH11231]
FX U.S. Department of Energy, Office of Science, Office of Biological and
Environmental Research [contract DE-AC02-05CH11231 between Lawrence
Berkeley National Laboratory and the U.S. Department of Energy]. Funding
for open access charge: Lawrence Berkeley National Laboratory
[DE-AC02-05CH11231].
NR 52
TC 0
Z9 0
U1 3
U2 3
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0305-1048
EI 1362-4962
J9 NUCLEIC ACIDS RES
JI Nucleic Acids Res.
PD JAN
PY 2017
VL 45
IS 1
BP 496
EP 508
DI 10.1093/nar/gkw1023
PG 13
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EO3DM
UT WOS:000396575100043
ER
PT J
AU Naimark, OB
Bayandin, YV
Zocher, MA
AF Naimark, O. B.
Bayandin, Yu. V.
Zocher, M. A.
TI Collective Properties of Defects, Multiscale Plasticity, and Shock
Induced Phenomena in Solids
SO PHYSICAL MESOMECHANICS
LA English
DT Article
DE structural relaxation; collective modes of defects; multiscale
plasticity; shock waves
ID DEFORMATION; INSTABILITIES; TEMPERATURES; TRANSITIONS; COPPER; MODEL;
FLOW
AB A statistically based approach is developed for the construction of constitutive equations that provides linkages between defect-induced mechanisms of structural relaxation, thermally activated plastic flow, and material response to extreme loading conditions. The collective properties of defects have been studied to establish the interaction of multiscale defect dynamics and plastic flow, and to explain the mechanisms leading to the universal self-similar structure of shock wave fronts. Pn explanation for structural universality of the steady-state plastic shock front (the four power law) and the self-similarity of shock wave profiles under reloading (unloading) is proposed. Structural characterization under transition from thermally activated dislocation glide to nonlinear dislocation drag effects is developed in terms of scaling invariants (effective temperatures) related to mesodefect induced morphology formed during the different stages of plastic deformation.
C1 [Naimark, O. B.; Bayandin, Yu. V.] Russian Acad Sci, Inst Continous Media Mech, Ural Branch, Perm 614013, Russia.
[Zocher, M. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Naimark, OB (reprint author), Russian Acad Sci, Inst Continous Media Mech, Ural Branch, Perm 614013, Russia.
EM naimark@icmm.ru
FU Program of the Fundamental Research of UrB RAS [15-10-1-18]
FX Research was supported by the Program of the Fundamental Research of UrB
RAS (project 15-10-1-18).
NR 43
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1029-9599
EI 1990-5424
J9 PHYS MESOMECH
JI Phys. Mesomech.
PD JAN
PY 2017
VL 20
IS 1
BP 10
EP 30
DI 10.1134/S1029959917010027
PG 21
WC Mechanics; Materials Science, Characterization & Testing
SC Mechanics; Materials Science
GA EM1CV
UT WOS:000395056600002
ER
PT J
AU Vasilyev, S
Abgrall, N
Arnquist, IJ
Avignone, FT
Balderrot-Barrera, CX
Barabash, AS
Bertrand, FE
Bradley, AW
Brudanin, V
Busch, M
Buuck, M
Byram, D
Caldwell, AS
Chan, YD
Christofferson, CD
Cuesta, C
Detwiler, JA
Efremenko, Y
Ejiri, H
Elliott, SR
Galindo-Uribarri, A
Gilliss, T
Giovanetti, GK
Goett, J
Green, MP
Gruszko, J
Guinn, I
Guiseppe, VE
Henning, R
Hoppe, EW
Howard, S
Howe, MA
Jasinski, BR
Keeter, KE
Kidd, MF
Konovalov, SI
Kouzes, RT
LaFerriere, BD
Leon, J
MacMullin, J
Martin, RD
Meijer, SJ
Mertens, S
Orrell, JL
O'Shaughnessy, C
Poon, AWP
Radford, DC
Rager, J
Rielage, K
Robertson, RGH
Romero-Romero, E
Shanks, B
Shirchenko, M
Snyder, N
Suriano, AM
Tedeschi, D
Trimble, JE
Varner, RL
Vetter, K
Vorren, K
White, BR
Wilkerson, JF
Wiseman, C
Xu, W
Yakushev, E
Yu, CH
Yumatov, V
Zhitnikov, I
AF Vasilyev, S.
Abgrall, N.
Arnquist, I. J.
Avignone, F. T., III
Balderrot-Barrera, C. X.
Barabash, A. S.
Bertrand, F. E.
Bradley, A. W.
Brudanin, V.
Busch, M.
Buuck, M.
Byram, D.
Caldwell, A. S.
Chan, Y-D.
Christofferson, C. D.
Cuesta, C.
Detwiler, J. A.
Efremenko, Yu.
Ejiri, H.
Elliott, S. R.
Galindo-Uribarri, A.
Gilliss, T.
Giovanetti, G. K.
Goett, J.
Green, M. P.
Gruszko, J.
Guinn, I.
Guiseppe, V. E.
Henning, R.
Hoppe, E. W.
Howard, S.
Howe, M. A.
Jasinski, B. R.
Keeter, K. E.
Kidd, M. F.
Konovalov, S. I.
Kouzes, R. T.
LaFerriere, B. D.
Leon, J.
MacMullin, J.
Martin, R. D.
Meijer, S. J.
Mertens, S.
Orrell, J. L.
O'Shaughnessy, C.
Poon, A. W. P.
Radford, D. C.
Rager, J.
Rielage, K.
Robertson, R. G. H.
Romero-Romero, E.
Shanks, B.
Shirchenko, M.
Snyder, N.
Suriano, A. M.
Tedeschi, D.
Trimble, J. E.
Varner, R. L.
Vetter, K.
Vorren, K.
White, B. R.
Wilkerson, J. F.
Wiseman, C.
Xu, W.
Yakushev, E.
Yu, C. -H.
Yumatov, V.
Zhitnikov, I.
CA MAJORANA Collaboration
TI Status of the MAJORANA DEMONSTRATOR
SO PHYSICS OF PARTICLES AND NUCLEI
LA English
DT Article; Proceedings Paper
CT International Workshop on Prospects of Particle Physics - Neutrino
Physics and Astrophysics
CY FEB 01-08, 2015
CL Valday, RUSSIA
ID NEUTRINO MASS; DECAY
AB The MAJORANA Collaboration is constructing the MAJORANA DEMONSTRATOR, an ultralow background, 40-kg modular high purity Ge (HPGe) detector array to search for neutrinoless double-beta decay (0 nu beta beta-decay) in Ge-76. The goal of the experiment is to demonstrate a background rate at or below 3 counts/(t-y) in the 4 keV region of interest (ROI) around the 2039 keV Q-value for Ge-76 0 nu beta beta-decay. In this paper, the status of the MAJORANA DEMONSTRATOR, including its design and measurements of properties of the HPGe crystals is presented.
C1 [Vasilyev, S.; Brudanin, V.; Shirchenko, M.; Yakushev, E.; Zhitnikov, I.] Joint Inst Nucl Res, Dubna, Russia.
[Abgrall, N.; Bradley, A. W.; Chan, Y-D.; Mertens, S.; Poon, A. W. P.; Vetter, K.] Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA USA.
[Arnquist, I. J.; Hoppe, E. W.; Kouzes, R. T.; LaFerriere, B. D.; Orrell, J. L.] Pacific Northwest Natl Lab, Richland, WA USA.
[Avignone, F. T., III; Guiseppe, V. E.; Tedeschi, D.; Wiseman, C.] Univ South Carolina, Dept Phys & Astron, Columbia, SC USA.
[Avignone, F. T., III; Balderrot-Barrera, C. X.; Bertrand, F. E.; Galindo-Uribarri, A.; Green, M. P.; Radford, D. C.; Romero-Romero, E.; Varner, R. L.; White, B. R.; Wilkerson, J. F.; Yu, C. -H.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Barabash, A. S.; Konovalov, S. I.; Yumatov, V.] Inst Theoret & Expt Phys, Moscow, Russia.
[Efremenko, Yu.; Romero-Romero, E.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA.
[Busch, M.] Duke Univ, Dept Phys, Durham, NC 27706 USA.
[Busch, M.; Gilliss, T.; Giovanetti, G. K.; Henning, R.; Howe, M. A.; MacMullin, J.; Meijer, S. J.; O'Shaughnessy, C.; Rager, J.; Shanks, B.; Trimble, J. E.; Vorren, K.; Wilkerson, J. F.] Triangle Univ Nucl Lab, Durham, NC 27706 USA.
[Buuck, M.; Cuesta, C.; Detwiler, J. A.; Gruszko, J.; Guinn, I.; Leon, J.; Robertson, R. G. H.] Univ Washington, Ctr Expt Nucl Phys & Astrophys, Seattle, WA 98195 USA.
[Buuck, M.; Cuesta, C.; Detwiler, J. A.; Gruszko, J.; Guinn, I.; Leon, J.; Robertson, R. G. H.] Univ Washington, Dept Phys, Seattle, WA 98195 USA.
[Byram, D.; Jasinski, B. R.; Martin, R. D.; Snyder, N.] Univ South Dakota, Dept Phys, Vermillion, SD USA.
[Caldwell, A. S.; Christofferson, C. D.; Howard, S.; Suriano, A. M.] South Dakota Sch Mines & Technol, Rapid City, SD USA.
[Ejiri, H.] Osaka Univ, Res Ctr Nucl Phys, Osaka, Japan.
[Ejiri, H.] Osaka Univ, Dept Phys, Osaka, Japan.
[Elliott, S. R.; Goett, J.; Rielage, K.; Xu, W.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Gilliss, T.; Giovanetti, G. K.; Henning, R.; Howe, M. A.; MacMullin, J.; Meijer, S. J.; O'Shaughnessy, C.; Rager, J.; Shanks, B.; Trimble, J. E.; Vorren, K.; Wilkerson, J. F.] Univ N Carolina, Dept Phys & Astron, Chapel Hill, NC USA.
[Keeter, K. E.] Black Hills State Univ, Dept Phys, Spearfish, SD 57799 USA.
[Kidd, M. F.] Tennessee Technol Univ, Cookeville, TN USA.
RP Vasilyev, S (reprint author), Joint Inst Nucl Res, Dubna, Russia.
EM svasilyev@jinr.ru
FU U.S. Department of Energy, Office of Science, Office of Nuclear Physics;
Particle Astrophysics Program of the National Science Foundation;
Russian Foundation for Basic Research
FX This material is based upon work supported by the U.S. Department of
Energy, Office of Science, Office of Nuclear Physics. We acknowledge
support from the Particle Astrophysics Program of the National Science
Foundation. This research uses these US DOE Office of Science User
Facilities: the National Energy Research Scientific Computing Center and
the Oak Ridge Leadership Computing Facility. We acknowledge support from
the Russian Foundation for Basic Research. We thank our hosts and
colleagues at the Sanford Underground Research Facility for their
support.
NR 19
TC 0
Z9 0
U1 0
U2 0
PU MAIK NAUKA/INTERPERIODICA/SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA
SN 1063-7796
EI 1531-8559
J9 PHYS PART NUCLEI+
JI Phys. Part. Nuclei
PD JAN
PY 2017
VL 48
IS 1
BP 27
EP 33
DI 10.1134/S1063779616060253
PG 7
WC Physics, Particles & Fields
SC Physics
GA EL3RJ
UT WOS:000394536300005
ER
PT J
AU Ashourvan, A
Diamond, PH
AF Ashourvan, Arash
Diamond, P. H.
TI On the emergence of macroscopic transport barriers from staircase
structures
SO PHYSICS OF PLASMAS
LA English
DT Article
ID DRIFT-WAVE TURBULENCE; ZONAL FLOWS; CYLINDRICAL PLASMA; MODES; FLUID;
SHEAR; SIMULATIONS; DYNAMICS; GRADIENT; LAYERS
AB This paper presents a theory for the formation and evolution of coupled density staircases and zonal shear profiles in a simple model of drift-wave turbulence. Density, vorticity, and fluctuation potential enstrophy are the fields evolved in this system. Formation of staircase structures is due to inhomogeneous mixing of generalized potential vorticity (PV), resulting in the sharpening of density and vorticity gradients in some regions, and weakening them in others. When the PV gradients steepen, the density staircase structure develops into a lattice of mesoscale "jumps," and "steps," which are, respectively, the regions of local gradient steepening and flattening. The jumps merge and migrate in radius, leading to the development of macroscale profile structures from mesoscale elements. The positive feedback process, which drives the staircase formation occurs via a Rhines scale dependent mixing length. We present extensive studies of bifurcation physics of the global state, including results on the global flux-gradient relations (flux landscapes) predicted by the model. Furthermore, we demonstrate that, depending on the sources and boundary conditions, either a region of enhanced confinement, or a region with strong turbulence can form at the edge. This suggests that the profile self-organization is a global process, though one which can be described by a local, but nonlinear model. This model is the first to demonstrate how the mesoscale condensation of staircases leads to global states of enhanced confinement. Published by AIP Publishing.
C1 [Ashourvan, Arash] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
[Diamond, P. H.] Univ Calif San Diego, Ctr Momentum Transport & Flow Org, La Jolla, CA 92093 USA.
[Diamond, P. H.] Univ Calif San Diego, Energy Res Ctr, La Jolla, CA 92093 USA.
[Diamond, P. H.] Univ Calif San Diego, CASS, La Jolla, CA 92093 USA.
[Diamond, P. H.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA.
RP Ashourvan, A (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
FU U.S. Department of Energy [DE-FG02-04ER54738, DE-SC0008378]; CMTFO
FX This research was supported by the U.S. Department of Energy Grant Nos.
DE-FG02-04ER54738, and DE-SC0008378 and CMTFO. We thank G.
Dif-Pradalier, Y. Kosuga, O. D. Gurcan, M. Malkov, D. W. Hughes, and G.
R. Tynan for useful discussions. The authors thank the participants in
the 2015 Festival de Theorie, (Aix-en-Provence, France) for many
stimulating discussions.
NR 36
TC 0
Z9 0
U1 2
U2 2
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 1070-664X
EI 1089-7674
J9 PHYS PLASMAS
JI Phys. Plasmas
PD JAN
PY 2017
VL 24
IS 1
AR 012305
DI 10.1063/1.4973660
PG 18
WC Physics, Fluids & Plasmas
SC Physics
GA EM6AL
UT WOS:000395395100022
ER
PT J
AU Bennett, N
Blasco, M
Breeding, K
Constantino, D
DeYoung, A
DiPuccio, V
Friedman, J
Gall, B
Gardner, S
Gatling, J
Hagen, EC
Luttman, A
Meehan, BT
Misch, M
Molnar, S
Morgan, G
O'Brien, R
Robbins, L
Rundberg, R
Sipe, N
Welch, DR
Yuan, V
AF Bennett, N.
Blasco, M.
Breeding, K.
Constantino, D.
DeYoung, A.
DiPuccio, V.
Friedman, J.
Gall, B.
Gardner, S.
Gatling, J.
Hagen, E. C.
Luttman, A.
Meehan, B. T.
Misch, M.
Molnar, S.
Morgan, G.
O'Brien, R.
Robbins, L.
Rundberg, R.
Sipe, N.
Welch, D. R.
Yuan, V.
TI Development of the dense plasma focus for short-pulse applications
SO PHYSICS OF PLASMAS
LA English
DT Article
ID PARTICLE-IN-CELL; NEUTRON EMISSION; ACTIVATION; DEVICE; ELECTRON;
OPTIMIZATION; PERSPECTIVES; SIMULATION; RADIATION; TRANSPORT
AB The dense plasma focus (DPF) has long been considered a compact source for pulsed neutrons and has traditionally been optimized for the total neutron yield. In this paper, we describe the efforts to optimize the DPF for short-pulse applications by introducing a reentrant cathode at the end of the coaxial plasma gun. The resulting neutron pulse widths are reduced by an average of 2169% from the traditional long-drift DPF design. Pulse widths and yields achieved from deuterium-tritium fusion at 2 MA are 61.8 +/- 30.7 ns FWHM and 1.84 +/- 0.49 x 10(12) neutrons per shot. Simulations were conducted concurrently to elucidate the DPF operation and confirm the role of the reentrant cathode. A hybrid fluid-kinetic particle-in-cell modeling capability demonstrates correct sheath velocities, plasma instabilities, and fusion yield rates. Consistent with previous findings that the DPF is dominated by beam-target fusion from superthermal ions, we estimate that the thermonuclear contribution is at the 1% level. Published by AIP Publishing.
C1 [Bennett, N.; Blasco, M.; Breeding, K.; Constantino, D.; DiPuccio, V.; Friedman, J.; Gall, B.; Gardner, S.; Gatling, J.; Hagen, E. C.; Luttman, A.; Meehan, B. T.; Misch, M.; Molnar, S.; O'Brien, R.; Robbins, L.; Sipe, N.] Natl Secur Technol LLC, Las Vegas, NV 89193 USA.
[DeYoung, A.; Morgan, G.; Rundberg, R.; Yuan, V.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Welch, D. R.] Voss Sci LLC, Albuquerque, NM 87108 USA.
RP Bennett, N (reprint author), Natl Secur Technol LLC, Las Vegas, NV 89193 USA.
FU U.S. Department of Energy, National Nuclear Security Administration,
Office of Defense Nuclear Nonproliferation Research and Development
[DE-AC52-06NA25946]; U.S. Department of Energy
FX This manuscript has been authored by the National Security Technologies,
LLC, under Contract No. DE-AC52-06NA25946 with the U.S. Department of
Energy, National Nuclear Security Administration, Office of Defense
Nuclear Nonproliferation Research and Development. The United States
Government retains and the publisher, by accepting the article for
publication, acknowledges that the United States Government retains a
non-exclusive, paid-up, irrevocable, worldwide license to publish or
reproduce the published form of this manuscript, or allow others to do
so, for United States Government purposes. The U.S. Department of Energy
will provide public access to these results of federally sponsored
research in accordance with the DOE Public Access Plan
(http://energy.gov/downloads/doe-public-access-plan) DOE/NV/25946-3065.
NR 55
TC 0
Z9 0
U1 1
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 1070-664X
EI 1089-7674
J9 PHYS PLASMAS
JI Phys. Plasmas
PD JAN
PY 2017
VL 24
IS 1
AR 012702
DI 10.1063/1.4973227
PG 10
WC Physics, Fluids & Plasmas
SC Physics
GA EM6AL
UT WOS:000395395100037
ER
PT J
AU Hess, MH
Hutsel, BT
Jennings, CA
VanDevender, JP
Sefkow, AB
Gomez, MR
Knapp, PF
Laity, GR
Dolan, DH
Lamppa, DC
Peterson, KJ
Stygar, WA
Sinars, DB
AF Hess, M. H.
Hutsel, B. T.
Jennings, C. A.
VanDevender, J. P.
Sefkow, A. B.
Gomez, M. R.
Knapp, P. F.
Laity, G. R.
Dolan, D. H.
Lamppa, D. C.
Peterson, K. J.
Stygar, W. A.
Sinars, D. B.
TI Detection of an anomalous pressure on a magneto-inertial-fusion load
current diagnostic
SO PHYSICS OF PLASMAS
LA English
DT Article
ID CONSTITUTIVE MODEL; FLOW
AB Recent Magnetized Liner Inertial Fusion experiments at the Sandia National Laboratories Z pulsed power facility have featured a PDV (Photonic Doppler Velocimetry) diagnostic in the final power feed section for measuring load current. In this paper, we report on an anomalous pressure that is detected on this PDV diagnostic very early in time during the current ramp. Early time load currents that are greater than both B-dot upstream current measurements and existing Z machine circuit models by at least 1 MA would be necessary to describe the measured early time velocity of the PDV flyer. This leads us to infer that the pressure producing the early time PDV flyer motion cannot be attributed to the magnetic pressure of the load current but rather to an anomalous pressure. Using the MHD code ALEGRA, we are able to compute a time-dependent anomalous pressure function, which when added to the magnetic pressure of the load current, yields simulated flyer velocities that are in excellent agreement with the PDV measurement. We also provide plausible explanations for what could be the origin of the anomalous pressure. Published by AIP Publishing.
C1 [Hess, M. H.; Hutsel, B. T.; Jennings, C. A.; VanDevender, J. P.; Sefkow, A. B.; Gomez, M. R.; Knapp, P. F.; Laity, G. R.; Dolan, D. H.; Lamppa, D. C.; Peterson, K. J.; Stygar, W. A.; Sinars, D. B.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Sefkow, A. B.] Univ Rochester, Laser Energet Lab, 250 East River Rd, Rochester, NY 14623 USA.
RP Hess, MH (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM mhess@sandia.gov
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX M. Hess would like to thank M. Cuneo, R. Lemke, G. Robertson, E.
Hamilton, J. Reneker, A. Maurer, J. Gluth, E. Scoglietti, and S. Payne
for their helpful input into this paper. Sandia National Laboratories is
a multiprogram laboratory managed and operated by Sandia Corporation, a
wholly owned subsidiary of Lockheed Martin Corporation, for the U.S.
Department of Energy's National Nuclear Security Administration under
Contract No. DE-AC04-94AL85000.
NR 24
TC 0
Z9 0
U1 1
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 1070-664X
EI 1089-7674
J9 PHYS PLASMAS
JI Phys. Plasmas
PD JAN
PY 2017
VL 24
IS 1
AR 013119
DI 10.1063/1.4975021
PG 6
WC Physics, Fluids & Plasmas
SC Physics
GA EM6AL
UT WOS:000395395100068
ER
PT J
AU Kim, K
Chang, CS
Seo, J
Ku, S
Choe, W
AF Kim, Kyuho
Chang, C. S.
Seo, Janghoon
Ku, S.
Choe, W.
TI What happens to full-f gyrokinetic transport and turbulence in a
toroidal wedge simulation?
SO PHYSICS OF PLASMAS
LA English
DT Article
ID PLASMA
AB In order to save the computing time or to fit the simulation size into a limited computing hardware in a gyrokinetic turbulence simulation of a tokamak plasma, a toroidal wedge simulation may be utilized in which only a partial toroidal section is modeled with a periodic boundary condition in the toroidal direction. The most severe restriction in the wedge simulation is expected to be in the longest wavelength turbulence, i.e., ion temperature gradient (ITG) driven turbulence. The global full-f gyrokinetic code XGC1 is used to compare the transport and turbulence properties from a toroidal wedge simulation against the full torus simulation in an ITG unstable plasma in a model toroidal geometry. It is found that (1) the convergence study in the wedge number needs to be conducted all the way down to the full torus in order to avoid a false convergence, (2) a reasonably accurate simulation can be performed if the correct wedge number N can be identified, (3) the validity of a wedge simulation may be checked by performing a wave-number spectral analysis of the turbulence amplitude vertical bar delta Phi vertical bar and assuring that the variation of delta Phi between the discrete k(theta) values is less than 25% compared to the peak vertical bar delta Phi vertical bar, and (4) a frequency spectrum may not be used for the validity check of a wedge simulation. Published by AIP Publishing.
C1 [Kim, Kyuho; Chang, C. S.; Seo, Janghoon; Choe, W.] Korea Adv Inst Sci & Technol, Dept Phys, Daejeon 34141, South Korea.
[Chang, C. S.; Ku, S.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Seo, Janghoon] Korea Inst Nucl Nonproliferat & Control, Daejeon 34054, South Korea.
RP Chang, CS (reprint author), Korea Adv Inst Sci & Technol, Dept Phys, Daejeon 34141, South Korea.
EM cschang@pppl.gov
FU National Research Foundation of Korea (NRF) [NRF-2014M1A7A1A03045191];
U.S. Department of Energy [DE-AC02-09CH11466]; [DE-AC02-05CH11231]
FX This work has been funded by the National Research Foundation of Korea
(NRF) under Contract No. NRF-2014M1A7A1A03045191 and by the U.S.
Department of Energy under Contract No. DE-AC02-09CH11466. This research
used resources of the National Energy Research Scientific Computing
Center, a DOE Office of Science User Facility supported under Contract
No. DE-AC02-05CH11231. The corresponding author wishes to thank Dr. Y.
Idomura for helpful discussions.
NR 17
TC 0
Z9 0
U1 2
U2 2
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 1070-664X
EI 1089-7674
J9 PHYS PLASMAS
JI Phys. Plasmas
PD JAN
PY 2017
VL 24
IS 1
AR 012306
DI 10.1063/1.4974777
PG 8
WC Physics, Fluids & Plasmas
SC Physics
GA EM6AL
UT WOS:000395395100023
ER
PT J
AU Park, YS
Sabbagh, SA
Ko, WH
Bak, JG
Berkery, JW
Bialek, JM
Choi, MJ
Hahn, SH
In, YK
Jardin, SC
Jeon, YM
Kim, J
Kwak, JG
Lee, SG
Oh, YK
Park, HK
Yoon, SW
Yun, GS
AF Park, Y. S.
Sabbagh, S. A.
Ko, W. H.
Bak, J. G.
Berkery, J. W.
Bialek, J. M.
Choi, M. J.
Hahn, S. H.
In, Y. K.
Jardin, S. C.
Jeon, Y. M.
Kim, J.
Kwak, J. G.
Lee, S. G.
Oh, Y. K.
Park, H. K.
Yoon, S. W.
Yun, G. S.
TI Investigation of instabilities and rotation alteration in high beta
KSTAR plasmas
SO PHYSICS OF PLASMAS
LA English
DT Article
ID TOROIDAL-MOMENTUM DISSIPATION; RESISTIVE MHD MODES; VISCOSITY;
STABILITY; TOKAMAKS
AB H-mode plasma operation of the Korea Superconducting Tokamak Advanced Research (KSTAR) device has been expanded to significantly surpass the ideal MHD no-wall beta limit. Plasmas with high normalized beta, beta(N), up to 4.3 have been achieved with reduced plasma internal inductance, l(i), to near 0.7, exceeding the computed n = 1 ideal no-wall limit by a factor of 1.6. Pulse lengths at maximum beta(N) were extended to longer pulses by new, more rapid control. The stability of the observed m/n = 2/1 tearing mode that limited the achieved high beta(N) is computed by the M3D-C-1 code, and the effect of sheared toroidal rotation to tearing stability is examined. As a method to affect the mode stability in high beta(N) plasmas, the non-resonant alteration of the rotation profile by non-axisymmetric magnetic fields has been used, enabling a study of the underlying neoclassical toroidal viscosity (NTV) physics and stability dependence on rotation. Non-axisymmetric field spectra were applied using in-vessel control coils (IVCCs) with varied n = 2 field configurations to alter the plasma toroidal rotation profile in high beta H-mode plasmas and to analyze their effects on the rotation. The rotation profile was significantly altered with rotation reduced by more than 60% without tearing activity or mode locking. To investigate the physical characteristics and scaling of the measured rotation braking by NTV, changes in the rotation profile are analytically examined in steady state. The expected NTV scaling with the square of the normalized applied field perturbation agrees with the measured profile change delta B2.1-2.3. The NTV is also found to scale as T-i (2.1-2.4), in general agreement with the low collisionality "1/v" regime scaling of the NTV theory (TNTV-(1/v) proportional to T-i (2.5)). Published by AIP Publishing.
C1 [Park, Y. S.; Sabbagh, S. A.; Berkery, J. W.; Bialek, J. M.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
[Ko, W. H.; Bak, J. G.; Choi, M. J.; Hahn, S. H.; In, Y. K.; Jeon, Y. M.; Kim, J.; Kwak, J. G.; Lee, S. G.; Oh, Y. K.; Park, H. K.; Yoon, S. W.] Natl Fus Res Inst, Daejeon 34133, South Korea.
[Jardin, S. C.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
[Park, H. K.] Ulsan Natl Inst Sci & Technol, Ulsan 44919, South Korea.
[Yun, G. S.] Pohang Univ Sci & Technol, Pohang 37673, South Korea.
RP Park, YS (reprint author), Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
EM ypark@pppl.gov
OI jardin, stephen/0000-0001-6390-6908
FU U.S. Department of Energy [DE-FG02-99ER54524]
FX This research was supported by the U.S. Department of Energy under
Contract No. DE-FG02-99ER54524.
NR 34
TC 0
Z9 0
U1 3
U2 3
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 1070-664X
EI 1089-7674
J9 PHYS PLASMAS
JI Phys. Plasmas
PD JAN
PY 2017
VL 24
IS 1
AR 012512
DI 10.1063/1.4974170
PG 11
WC Physics, Fluids & Plasmas
SC Physics
GA EM6AL
UT WOS:000395395100035
ER
PT J
AU Slutz, SA
Jennings, CA
Awe, TJ
Shipley, GA
Hutsel, BT
Lamppa, DC
AF Slutz, S. A.
Jennings, C. A.
Awe, T. J.
Shipley, G. A.
Hutsel, B. T.
Lamppa, D. C.
TI Auto-magnetizing liners for magnetized inertial fusion
SO PHYSICS OF PLASMAS
LA English
DT Article
ID CONFINEMENT FUSION; TARGET; FUEL
AB The MagLIF (Magnetized Liner Inertial Fusion) concept [Slutz et al., Phys. Plasmas 17, 056303 (2010)] has demonstrated fusion-relevant plasma conditions [Gomez et al., Phys. Rev. Lett. 113, 155003 (2014)] on the Z accelerator using external field coils to magnetize the fuel before compression. We present a novel concept (AutoMag), which uses a composite liner with helical conduction paths separated by insulating material to provide fuel magnetization from the early part of the drive current, which by design rises slowly enough to avoid electrical breakdown of the insulators. Once the magnetization field is established, the drive current rises more quickly, which causes the insulators to break down allowing the drive current to follow an axial path and implode the liner in the conventional z-pinch manner. There are two important advantages to AutoMag over external field coils for the operation of MagLIF. Low inductance magnetically insulated power feeds can be used to increase the drive current, and AutoMag does not interfere with diagnostic access. Also, AutoMag enables a pathway to energy applications for MagLIF, since expensive field coils will not be damaged each shot. Finally, it should be possible to generate Field Reversed Configurations (FRC) by using both external field coils and AutoMag in opposite polarities. This would provide a means to studying FRC liner implosions on the 100 ns time scale. Published by AIP Publishing.
C1 [Slutz, S. A.; Jennings, C. A.; Awe, T. J.; Shipley, G. A.; Hutsel, B. T.; Lamppa, D. C.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
RP Slutz, SA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
FU United States Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]
FX We acknowledge useful discussions with R. D. McBride, D. C. Rovang, and
M. R. Gomez. Sandia is a multi-program laboratory operated by Sandia
Corporation, a Lockheed Martin Company, for the United States Department
of Energy's National Nuclear Security Administration under Contract No.
DE-AC04-94AL85000.
NR 26
TC 0
Z9 0
U1 2
U2 2
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 1070-664X
EI 1089-7674
J9 PHYS PLASMAS
JI Phys. Plasmas
PD JAN
PY 2017
VL 24
IS 1
AR 012704
DI 10.1063/1.4973551
PG 8
WC Physics, Fluids & Plasmas
SC Physics
GA EM6AL
UT WOS:000395395100039
ER
PT J
AU Saez-Aguayo, S
Rautengarten, C
Temple, H
Sanhueza, D
Ejsmentewicz, T
Sandoval-Ibanez, O
Donas, D
Parra-Rojas, JP
Ebert, B
Lehner, A
Mollet, JC
Dupree, P
Scheller, HV
Heazlewood, JL
Reyes, FC
Orellana, A
AF Saez-Aguayo, Susana
Rautengarten, Carsten
Temple, Henry
Sanhueza, Dayan
Ejsmentewicz, Troy
Sandoval-Ibanez, Omar
Donas, Daniela
Pablo Parra-Rojas, Juan
Ebert, Berit
Lehner, Arnaud
Mollet, Jean-Claude
Dupree, Paul
Scheller, Henrik V.
Heazlewood, Joshua L.
Reyes, Francisca C.
Orellana, Ariel
TI UUAT1 Is a Golgi-Localized UDP-Uronic Acid Transporter That Modulates
the Polysaccharide Composition of Arabidopsis Seed Mucilage
SO PLANT CELL
LA English
DT Article
ID NUCLEOTIDE-SUGAR TRANSPORTERS; CELL-WALL BIOSYNTHESIS;
GLUCOSE/UDP-GALACTOSE TRANSPORTER; GDP-L-FUCOSE; ENDOPLASMIC-RETICULUM;
FUNCTIONAL CLONING; COAT MUCILAGE; GENE FAMILY; PECTIC POLYSACCHARIDES;
MOLECULAR-CLONING
AB UDP-glucuronic acid (UDP-GlcA) is the precursor of many plant cell wall polysaccharides and is required for production of seed mucilage. Following synthesis in the cytosol, it is transported into the lumen of the Golgi apparatus, where it is converted to UDP-galacturonic acid (UDP-GalA), UDP-arabinose, and UDP-xylose. To identify the Golgi-localized UDP-GlcA transporter, we screened Arabidopsis thaliana mutants in genes coding for putative nucleotide sugar transporters for altered seed mucilage, a structure rich in the GalA-containing polysaccharide rhamnogalacturonan I. As a result, we identified UUAT1, which encodes a Golgi-localized protein that transports UDP-GlcA and UDP-GalA in vitro. The seed coat of uuat1 mutants had less GalA, rhamnose, and xylose in the soluble mucilage, and the distal cell walls had decreased arabinan content. Cell walls of other organs and cells had lower arabinose levels in roots and pollen tubes, but no differences were observed in GalA or xylose contents. Furthermore, the GlcA content of glucuronoxylan in the stem was not affected in the mutant. Interestingly, the degree of homogalacturonan methylation increased in uuat1. These results suggest that this UDP-GlcA transporter plays a key role defining the seed mucilage sugar composition and that its absence produces pleiotropic effects in this component of the plant extracellular matrix.
C1 [Saez-Aguayo, Susana; Temple, Henry; Sanhueza, Dayan; Ejsmentewicz, Troy; Sandoval-Ibanez, Omar; Donas, Daniela; Pablo Parra-Rojas, Juan; Reyes, Francisca C.; Orellana, Ariel] Univ Andres Bello, FONDAP Ctr Genome Regulat, Fac Ciencias Biol, Ctr Biotecnol Vegetal, Santiago, Chile.
[Rautengarten, Carsten; Ebert, Berit; Heazlewood, Joshua L.] Univ Melbourne, Sch BioSci, ARC Ctr Excellence Plant Cell Walls, Melbourne, Vic 3010, Australia.
[Lehner, Arnaud; Mollet, Jean-Claude] Normandy Univ, UniRouen, IRIB,EA4358, Lab Glycobiol & Matrice Extracellulaire Vegetale, Vasi, France.
[Dupree, Paul] Univ Cambridge, Dept Biochem, Cambridge CB2 1QW, England.
[Scheller, Henrik V.; Heazlewood, Joshua L.] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94702 USA.
[Scheller, Henrik V.; Heazlewood, Joshua L.] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94702 USA.
[Scheller, Henrik V.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.
RP Reyes, FC; Orellana, A (reprint author), Univ Andres Bello, FONDAP Ctr Genome Regulat, Fac Ciencias Biol, Ctr Biotecnol Vegetal, Santiago, Chile.
EM francisca.reyes.marquez@gmail.com; aorellana@unab.cl
OI Sandoval Ibanez, Omar/0000-0002-4513-1704
FU FONDECYT [11130498, 3140415, 1151335]; Fondo de Areas
Prioritarias-Centro de Regulacion del Genoma [15090007]; ECOS-CONICYT
[C14B02, PFB-16]; CONICYT; U.S. Department of Energy, Office of Science,
Office of Biological and Environmental Research [DE-AC02-05CH11231];
Australian Research Council [FT130101165]; VASI research network from
the Upper Normandy region; French ministry of research
FX This work was supported by FONDECYT 11130498 (to F.C.R.), FONDECYT
3140415 (to S.S.-A.), FONDECYT 1151335, Fondo de Areas
Prioritarias-Centro de Regulacion del Genoma-15090007, ECOS-CONICYT
C14B02 and PFB-16 (to A.O.), and a CONICYT fellowship to H.T. Work
conducted by the Joint BioEnergy Institute was supported by the U.S.
Department of Energy, Office of Science, Office of Biological and
Environmental Research, through contract DE-AC02-05CH11231 between
Lawrence Berkeley National Laboratory and the U.S. Department of Energy.
J.L.H. is supported by an Australian Research Council Future Fellowship
(FT130101165). Work conducted by Glyco-MEV (J.-C.M. and A.L.)was in part
supported by the VASI research network from the Upper Normandy region
and the French ministry of research. We thank Miriam Barros for her
advice and expertise in confocal microscopy. We also thank Hernan
Salinas and Alvaro Miquel for technical assistance with HPAE Canalysis,
and Flavien Dardelle and Francois Le Mauff for technical assistance with
gas chromatography analyses of pollen tube cell walls.
NR 79
TC 0
Z9 0
U1 2
U2 2
PU AMER SOC PLANT BIOLOGISTS
PI ROCKVILLE
PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA
SN 1040-4651
EI 1532-298X
J9 PLANT CELL
JI Plant Cell
PD JAN
PY 2017
VL 29
IS 1
BP 129
EP 143
DI 10.1105/tpc.16.00465
PG 15
WC Biochemistry & Molecular Biology; Plant Sciences; Cell Biology
SC Biochemistry & Molecular Biology; Plant Sciences; Cell Biology
GA EK7UC
UT WOS:000394129700011
PM 28062750
ER
PT J
AU Miller, ND
Haase, NJ
Lee, J
Kaeppler, SM
de Leon, N
Spalding, EP
AF Miller, Nathan D.
Haase, Nicholas J.
Lee, Jonghyun
Kaeppler, Shawn M.
de Leon, Natalia
Spalding, Edgar P.
TI A robust, high-throughput method for computing maize ear, cob, and
kernel attributes automatically from images
SO PLANT JOURNAL
LA English
DT Article
DE Zea mays; image analysis; kernel shape; kernel spacing; Fourier
transform; kernel counting; ear size; high-throughput phenotyping;
technical advance
ID GENETIC-ANALYSIS; SEED SIZE; TRAITS; ARABIDOPSIS; MORPHOLOGY; LENGTH;
LOCUS; SET
AB Grain yield of the maize plant depends on the sizes, shapes, and numbers of ears and the kernels they bear. An automated pipeline that can measure these components of yield from easily-obtained digital images is needed to advance our understanding of this globally important crop. Here we present three custom algorithms designed to compute such yield components automatically from digital images acquired by a lowcost platform. One algorithm determines the average space each kernel occupies along the cob axis using a sliding-window Fourier transform analysis of image intensity features. A second counts individual kernels removed from ears, including those in clusters. A third measures each kernel's major and minor axis after a Bayesian analysis of contour points identifies the kernel tip. Dimensionless ear and kernel shape traits that may interrelate yield components are measured by principal components analysis of contour point sets. Increased objectivity and speed compared to typical manual methods are achieved without loss of accuracy as evidenced by high correlations with ground truth measurements and simulated data. Millimeter-scale differences among ear, cob, and kernel traits that ranged more than 2.5-fold across a diverse group of inbred maize lines were resolved. This system for measuring maize ear, cob, and kernel attributes is being used by multiple research groups as an automated Web service running on community high-throughput computing and distributed data storage infrastructure. Users may create their own workflow using the source code that is staged for download on a public repository.
C1 [Miller, Nathan D.; Lee, Jonghyun; Spalding, Edgar P.] Univ Wisconsin, Dept Bot, 430 Lincoln Dr, Madison, WI 53706 USA.
[Haase, Nicholas J.; Kaeppler, Shawn M.; de Leon, Natalia] Univ Wisconsin, Dept Agron, 1575 Linden Dr, Madison, WI 53706 USA.
[Kaeppler, Shawn M.; de Leon, Natalia] DOE Great Lakes Bioenergy Res Ctr, 445 Henry Mall, Madison, WI 53706 USA.
RP Spalding, EP (reprint author), Univ Wisconsin, Dept Bot, 430 Lincoln Dr, Madison, WI 53706 USA.
EM spalding@wisc.edu
FU National Science Foundation grant [IOS-1444456]; United States
Department of Agriculture (USDA) Hatch grant [WIS01639]
FX This work was supported by National Science Foundation grant IOS-1444456
to Edgar P. Spalding and United States Department of Agriculture (USDA)
Hatch grant WIS01639 to Natalia de Leon. The authors thank Professors
Miron Livny Joe Lauer for helpful discussions. The authors declare no
conflicts of interest.
NR 37
TC 2
Z9 2
U1 1
U2 1
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0960-7412
EI 1365-313X
J9 PLANT J
JI Plant J.
PD JAN
PY 2017
VL 89
IS 1
BP 169
EP 178
DI 10.1111/tpj.13320
PG 10
WC Plant Sciences
SC Plant Sciences
GA EN2AA
UT WOS:000395810500013
PM 27585732
ER
PT J
AU Bouche, F
Woods, DP
Amasino, RM
AF Bouche, Frederic
Woods, Daniel P.
Amasino, Richard M.
TI Winter Memory throughout the Plant Kingdom: Different Paths to Flowering
SO PLANT PHYSIOLOGY
LA English
DT Article
ID PSEUDO-RESPONSE-REGULATOR; AGE-DEPENDENT RESPONSE; ARABIDOPSIS-THALIANA;
LOCUS-C; TRANSCRIPTION FACTOR; VERNALIZATION RESPONSE; MOLECULAR-BASIS;
ARABIS-ALPINA; SUGAR-BEET; EVOLUTIONARY CONSERVATION
C1 [Bouche, Frederic; Woods, Daniel P.; Amasino, Richard M.] Univ Wisconsin, Dept Biochem, Madison, WI 53706 USA.
[Woods, Daniel P.; Amasino, Richard M.] US DOE, Great Lakes Bioenergy Res Ctr, Madison, WI 53726 USA.
RP Amasino, RM (reprint author), Univ Wisconsin, Dept Biochem, Madison, WI 53706 USA.; Amasino, RM (reprint author), US DOE, Great Lakes Bioenergy Res Ctr, Madison, WI 53726 USA.
EM amasino@biochem.wisc.edu
OI Bouche, Frederic/0000-0002-8017-0071
FU National Science Foundation [IOS-1258126]; Great Lakes Bioenergy
Research Center (Department of Energy Biological and Environmental
Research Office of Science) [DE-FCO2-07ER64494]; University of
Wisconsin-Madison; Belgian American Educational Foundation
FX This work was supported by the National Science Foundation (grant no.
IOS-1258126), the Great Lakes Bioenergy Research Center (Department of
Energy Biological and Environmental Research Office of Science grant no.
DE-FCO2-07ER64494), and the University of Wisconsin-Madison to R.M.A.
F.B. is supported by a postdoctoral fellowship from the Belgian American
Educational Foundation.
NR 122
TC 1
Z9 1
U1 3
U2 3
PU AMER SOC PLANT BIOLOGISTS
PI ROCKVILLE
PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA
SN 0032-0889
EI 1532-2548
J9 PLANT PHYSIOL
JI Plant Physiol.
PD JAN
PY 2017
VL 173
IS 1
BP 27
EP 35
DI 10.1104/pp.16.01322
PG 9
WC Plant Sciences
SC Plant Sciences
GA EK7WL
UT WOS:000394135800004
PM 27756819
ER
PT J
AU Xu, DW
Shi, JX
Rautengarten, C
Yang, L
Qian, XL
Uzair, M
Zhu, L
Luo, Q
An, GH
Wassmann, F
Schreiber, L
Heazlewood, JL
Scheller, HV
Hu, JP
Zhang, DB
Liang, WQ
AF Xu, Dawei
Shi, Jianxin
Rautengarten, Carsten
Yang, Li
Qian, Xiaoling
Uzair, Muhammad
Zhu, Lu
Luo, Qian
An, Gynheung
Wassmann, Fritz
Schreiber, Lukas
Heazlewood, Joshua L.
Scheller, Henrik Vibe
Hu, Jianping
Zhang, Dabing
Liang, Wanqi
TI Defective Pollen Wall 2 (DPW2) Encodes an Acyl Transferase Required for
Rice Pollen Development
SO PLANT PHYSIOLOGY
LA English
DT Article
ID CHROMATOGRAPHY-MASS-SPECTROMETRY; FLUORESCENT FUSION PROTEINS; ANTHER
DEVELOPMENT; CUTIN POLYESTER; TRANSIENT EXPRESSION; BAHD
ACYLTRANSFERASE; EXINE DEVELOPMENT; PLANT DEVELOPMENT; GENE-EXPRESSION;
FATTY-ACIDS
AB Aliphatic and aromatic lipids are both essential structural components of the plant cuticle, an important interface between the plant and environment. Although cross links between aromatic and aliphatic or other moieties are known to be associated with the formation of leaf cutin and root and seed suberin, the contribution of aromatic lipids to the biosynthesis of anther cuticles and pollen walls remains elusive. In this study, we characterized the rice (Oryza sativa) male sterile mutant, defective pollen wall 2 (dpw2), which showed an abnormal anther cuticle, a defective pollen wall, and complete male sterility. Compared with the wild type, dpw2 anthers have increased amounts of cutin and waxes and decreased levels of lipidic and phenolic compounds. DPW2 encodes a cytoplasmically localized BAHD acyltransferase. In vitro assays demonstrated that recombinant DPW2 specifically transfers hydroxycinnamic acid moieties, using v-hydroxy fatty acids as acyl acceptors and hydroxycinnamoyl-CoAs as acyl donors. Thus, The cytoplasmic hydroxycinnamoyl-CoA: v-hydroxy fatty acid transferase DPW2 plays a fundamental role in male reproduction via the biosynthesis of key components of the anther cuticle and pollen wall.
C1 [Xu, Dawei; Shi, Jianxin; Yang, Li; Qian, Xiaoling; Uzair, Muhammad; Zhu, Lu; Luo, Qian; Zhang, Dabing; Liang, Wanqi] Shanghai Jiao Tong Univ, Shanghai Jiao Tong Univ Univ Adelaide Joint Ctr A, Sch Life Sci Biotechnol, Joint Int Res Lab Metab & Dev Sci, Shanghai 200240, Peoples R China.
[Rautengarten, Carsten; Heazlewood, Joshua L.] Univ Melbourne, Sch BioSci, ARC Ctr Excellence Plant Cell Walls, Melbourne, Vic 3010, Australia.
[Rautengarten, Carsten; Heazlewood, Joshua L.; Scheller, Henrik Vibe] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA.
[Rautengarten, Carsten; Heazlewood, Joshua L.; Scheller, Henrik Vibe] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA.
[An, Gynheung] Kyung Hee Univ, Crop Biotech Inst, Yongin 446701, South Korea.
[An, Gynheung] Kyung Hee Univ, Grad Sch Biotechnol, Yongin 446701, South Korea.
[Wassmann, Fritz; Schreiber, Lukas] Univ Bonn, Inst Cellular & Mol Bot, D-53115 Bonn, Germany.
[Scheller, Henrik Vibe] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.
[Hu, Jianping] Michigan State Univ, Dept Energy Plant Res Lab, E Lansing, MI 48824 USA.
[Zhang, Dabing] Univ Adelaide, Sch Agr Food & Wine, Urrbrae, SA 5064, Australia.
RP Liang, WQ (reprint author), Shanghai Jiao Tong Univ, Shanghai Jiao Tong Univ Univ Adelaide Joint Ctr A, Sch Life Sci Biotechnol, Joint Int Res Lab Metab & Dev Sci, Shanghai 200240, Peoples R China.
EM wqliang@sjtu.edu.cn
OI Xu, Dawei/0000-0002-8906-7070
FU National Key Basic Research Developments Program, Ministry of Science
and Technology, China [2013CB126902]; National Transgenic Major Program
[2016ZX08009003-003-007]; National Natural Science Foundation of China
[31430009, 31322040, 31271698]; China Innovative Research Team, Ministry
of Education, and the Programme of Introducing Talents of Discipline to
Universities (111 Project) [B14016]; Science and Technology Commission
of Shanghai Municipality [13JC1408200]; Leading Scientist in Agriculture
of Shanghai Municipality; German Research Foundation (DFG); U.S.
Department of Energy, Office of Science, Office of Biological and
Environmental Research [DE-AC02-05CH11231]
FX This work was supported by funds from the National Key Basic Research
Developments Program, Ministry of Science and Technology, China
(2013CB126902); National Transgenic Major Program
(2016ZX08009003-003-007); the National Natural Science Foundation of
China (31430009, 31322040, 31271698); China Innovative Research Team,
Ministry of Education, and the Programme of Introducing Talents of
Discipline to Universities (111 Project, B14016); the Science and
Technology Commission of Shanghai Municipality (grant no. 13JC1408200);
Leading Scientist in Agriculture of Shanghai Municipality; and the
German Research Foundation (DFG; to L.S.). The work was part of the DOE
Joint BioEnergy Institute (http://www.jbei.org) supported by the U.S.
Department of Energy, Office of Science, Office of Biological and
Environmental Research, through contract DE-AC02-05CH11231 between
Lawrence Berkeley National Laboratory and the U.S. Department of Energy.
NR 98
TC 3
Z9 3
U1 4
U2 4
PU AMER SOC PLANT BIOLOGISTS
PI ROCKVILLE
PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA
SN 0032-0889
EI 1532-2548
J9 PLANT PHYSIOL
JI Plant Physiol.
PD JAN
PY 2017
VL 173
IS 1
BP 240
EP 255
DI 10.1104/pp.16.00095
PG 16
WC Plant Sciences
SC Plant Sciences
GA EK7WL
UT WOS:000394135800020
PM 27246096
ER
PT J
AU Woods, DP
Bednarek, R
Bouche, F
Gordon, SP
Vogel, JP
Garvin, DF
Amasino, RM
AF Woods, Daniel P.
Bednarek, Ryland
Bouche, Frederic
Gordon, Sean P.
Vogel, John P.
Garvin, David F.
Amasino, Richard M.
TI Genetic Architecture of Flowering-Time Variation in Brachypodium
distachyon
SO PLANT PHYSIOLOGY
LA English
DT Article
ID QUANTITATIVE TRAIT LOCI; BARLEY HORDEUM-VULGARE; PHYTOCHROME-C; INBRED
LINES; VERNALIZATION GENES; GROWTH HABIT; SHOOT APEX; WHEAT; ADAPTATION;
MODEL
AB The transition to reproductive development is a crucial step in the plant life cycle, and the timing of this transition is an important factor in crop yields. Here, we report new insights into the genetic control of natural variation in flowering time in Brachypodium distachyon, a nondomesticated pooid grass closely related to cereals such as wheat (Triticum spp.) and barley (Hordeum vulgare L.). A recombinant inbred line population derived from a cross between the rapid-flowering accession Bd21 and the delayed-flowering accession Bd1-1 were grown in a variety of environmental conditions to enable exploration of the genetic architecture of flowering time. A genotyping-by-sequencing approach was used to develop SNP markers for genetic map construction, and quantitative trait loci (QTLs) that control differences in flowering time were identified. Many of the flowering-time QTLs are detected across a range of photoperiod and vernalization conditions, suggesting that the genetic control of flowering within this population is robust. The two major QTLs identified in undomesticated B. distachyon colocalize with VERNALIZATION1/PHYTOCHROME C and VERNALIZATION2, loci identified as flowering regulators in the domesticated crops wheat and barley. This suggests that variation in flowering time is controlled in part by a set of genes broadly conserved within pooid grasses.
C1 [Woods, Daniel P.; Amasino, Richard M.] Univ Wisconsin, Genet Lab, Madison, WI 53706 USA.
[Woods, Daniel P.; Amasino, Richard M.] Univ Wisconsin, Dept Energy, Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA.
[Woods, Daniel P.; Bednarek, Ryland; Bouche, Frederic; Amasino, Richard M.] Univ Wisconsin, Dept Biochem, Madison, WI 53706 USA.
[Gordon, Sean P.; Vogel, John P.] US Dept Energy Joint Genome Inst, Walnut Creek, CA 94598 USA.
[Garvin, David F.] Univ Minnesota, USDA ARS, Plant Sci Res Unit, Dept Agron & Plant Genet, St Paul, MN 55108 USA.
RP Amasino, RM (reprint author), Univ Wisconsin, Genet Lab, Madison, WI 53706 USA.; Amasino, RM (reprint author), Univ Wisconsin, Dept Energy, Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA.; Amasino, RM (reprint author), Univ Wisconsin, Dept Biochem, Madison, WI 53706 USA.
EM amasino@biochem.wisc.edu
OI Woods, Daniel/0000-0002-1498-5707; Bouche, Frederic/0000-0002-8017-0071
FU National Science Foundation [IOS-1258126]; Great Lakes Bioenergy
Research Center (Department of Energy Biological and Environmental
Research Office of Science) [DE-FCO2-07ER64494]; National Institutes of
Health; Belgian American Educational Foundation (BAEF); U.S. Department
of Energy Joint Genome Institute (Department of Energy Office of Science
User Facility) [DE-AC02-05CH11231]; Office of Biological and
Environmental Research, Office of Science, U.S. Department of Energy
[DE-SC0006999]; USDA-ARS CRIS project [5062-21000-030-00D]
FX R.M.A.'s laboratory was funded by the National Science Foundation under
grant no. IOS-1258126, and the Great Lakes Bioenergy Research Center
(Department of Energy Biological and Environmental Research Office of
Science grant no. DE-FCO2-07ER64494); D.P.W. was funded in part by a
National Institutes of Health-sponsored pre-doctoral training fellowship
to the University of Wisconsin Genetics Training Program; F.B. thanks
the Belgian American Educational Foundation (BAEF) for their
post-doctoral fellowship; J.P.V. and S.P.G. were funded by the U.S.
Department of Energy Joint Genome Institute (a Department of Energy
Office of Science User Facility), which is supported under contract no.
DE-AC02-05CH11231, with additional funding provided by Office of
Biological and Environmental Research, Office of Science, U.S.
Department of Energy, under interagency agreement no. DE-SC0006999; and
D.F.G. was supported by USDA-ARS CRIS project no. 5062-21000-030-00D.
NR 65
TC 2
Z9 2
U1 1
U2 1
PU AMER SOC PLANT BIOLOGISTS
PI ROCKVILLE
PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA
SN 0032-0889
EI 1532-2548
J9 PLANT PHYSIOL
JI Plant Physiol.
PD JAN
PY 2017
VL 173
IS 1
BP 269
EP 279
DI 10.1104/pp.16.01178
PG 11
WC Plant Sciences
SC Plant Sciences
GA EK7WL
UT WOS:000394135800022
PM 27742753
ER
PT J
AU Hiremath, N
Mays, J
Bhat, G
AF Hiremath, Nitilaksha
Mays, Jimmy
Bhat, Gajanan
TI Recent Developments in Carbon Fibers and Carbon Nanotube-Based Fibers: A
Review
SO POLYMER REVIEWS
LA English
DT Review
DE Carbon Fibers; polyacrylonitrile (PAN); pitch; graphene oxide; lignin;
stabilization; carbon nanotubes; new precursors; CNT applications;
composite fibers; current trends and future prospects of carbon fibers
ID FIELD-EFFECT TRANSISTORS; LABEL-FREE DETECTION; COMPOSITE FIBERS;
POLYACRYLONITRILE FIBERS; MECHANICAL-PROPERTIES; MESOPHASE PITCH;
OXIDATIVE STABILIZATION; POLYMER NANOCOMPOSITES; THERMAL STABILIZATION;
GRAPHENE NANORIBBONS
AB Carbon fibers are a very vast topic to discuss in a limited space such as this review paper. Nevertheless, we herein attempt to provide a succinct summary of current research in carbon fibers (CF), especially carbon nanotube (CNT) based CFs. A brief introduction to CFs with respect to precursors, characterization techniques, and applications is presented. Following discussion on different commercially used CF precursors, is a description of the latest new precursors being researched. While finding new low-cost precursors has been a focus of recent research, large scale production of CFs from these new materials is not being realized at the present time. CNTs have received a great deal of attention due to their unique structure and properties. So CNTs and CNT-based CFs or carbon yarns (CYs) are discussed. In addition to providing a brief overview of different methods of providing CNTs, physical and electronic properties of CNTs are discussed. The major focus of this review is CNT based composite fibers. Efforts by several researchers have shown that incorporation of CNTs in carbon fibers is a challenging task, and only a small percent could be introduced successfully. Applications of CFs in various sectors such as the airline industry, sporting industries, and automotive industries are discussed. Applications of CNTs, focusing on composite materials, coatings and films, microelectronics, energy applications, and biotechnology are briefly reviewed. Some statistics of world market of CFs as well as future prospects are discussed.
C1 [Hiremath, Nitilaksha; Bhat, Gajanan] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Mays, Jimmy] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Mays, Jimmy] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA.
RP Bhat, G (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
EM gbhat@utk.edu
NR 113
TC 0
Z9 0
U1 18
U2 18
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 1558-3724
EI 1558-3716
J9 POLYM REV
JI Polym. Rev.
PY 2017
VL 57
IS 2
BP 339
EP 368
DI 10.1080/15583724.2016.1169546
PG 30
WC Polymer Science
SC Polymer Science
GA EM2AV
UT WOS:000395119700005
ER
PT B
AU Hoffman, WM
Riley, ME
Spencer, BW
AF Hoffman, William M.
Riley, Matthew E.
Spencer, Benjamin W.
BE Ren, W
Zhu, XK
Duncan, A
TI SURROGATE MODEL DEVELOPMENT AND VALIDATION FOR RELIABILITY ANALYSIS OF
REACTOR PRESSURE VESSELS
SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE, 2016,
VOL 6A
LA English
DT Proceedings Paper
CT ASME Pressure Vessels and Piping Conference
CY JUL 17-21, 2016
CL Vancouver, CANADA
SP ASME, Pressure Vessels & Pip Div
DE reactor pressure vessel; fracture; surrogate model
AB In nuclear light water reactors, the reactor core is contained within a thick walled steel reactor pressure vessel (RPV). Over time, material embrittlement caused by exposure to neutron flux makes the RPV increasingly susceptible to fracture under transient conditions. Because of parameter uncertainties, probabilistic methods are widely used in assessing RPV integrity.
For efficient probabilistic analysis, techniques to rapidly evaluate the stress intensity factor for given flaw geometry and stress conditions are essential. The stress intensity factor influence coefficient (SIFIC) technique is widely used for this purpose, but is limited to axis-aligned flaw geometries. To consider a wider range of flaw geometries, surrogate models to compute stress intensity factors are explored.
Four surrogate modeling techniques are applied here to compute SIFICs from a set of training data, including two different response surface polynomials, a model utilizing ordinary kriging and another using interpolation. Errors in the SIFICs are assessed for all of these techniques. These techniques are benchmarked against a benchmark solution by computing the time history of the stress intensity factor for an axis-aligned, semi-elliptical surface breaking flaw in an RPV subjected to a transient loading history. All of these techniques compare well with the benchmark solution.
C1 [Hoffman, William M.; Riley, Matthew E.] Univ Idaho, Moscow, ID 83843 USA.
[Spencer, Benjamin W.] Idaho Natl Lab, Idaho Falls, ID USA.
RP Hoffman, WM (reprint author), Univ Idaho, Moscow, ID 83843 USA.
FU US Department of Energy under the Light Water Reactor Sustainability
(LWRS) program; U.S. Government [DE-AC07-05ID14517]
FX This work was funded by the US Department of Energy under the Light
Water Reactor Sustainability (LWRS) program. The submitted manuscript
has been authored by a contractor of the U.S. Government under Contract
DE-AC07-05ID14517. Accordingly, the U.S. Government retains a
non-exclusive, royalty free license to publish or reproduce the
published form of this contribution, or allow others to do so, for U.S.
Government purposes.
NR 11
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5042-8
PY 2017
AR UNSP V06AT06A004
PG 9
WC Engineering, Mechanical
SC Engineering
GA BH0PI
UT WOS:000395838400004
ER
PT B
AU Sung, SJ
Pan, J
Lam, PS
Scarth, DA
AF Sung, Shin-Jang
Pan, Jwo
Lam, Poh-Sang
Scarth, Douglas A.
BE Ren, W
Zhu, XK
Duncan, A
TI THREE-DIMENSIONAL FINITE ELEMENT ANALYSES OF THIN-SLICED COMPACT TENSION
SPECIMENS OF IRRADIATED Zr-2.5Nb MATERIALS WITH CONSIDERATION OF SPLIT
CIRCUMFERENTIAL HYDRIDES
SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE, 2016,
VOL 6A
LA English
DT Proceedings Paper
CT ASME Pressure Vessels and Piping Conference
CY JUL 17-21, 2016
CL Vancouver, CANADA
SP ASME, Pressure Vessels & Pip Div
ID PRESSURE-TUBE MATERIAL; CRACK-GROWTH; MODE
AB In this paper, the low energy mode associated with split circumferential hydrides is examined by conducting three-dimensional finite element analyses of thin-sliced compact tension (CT) specimens of irradiated Zr-2.5Nb materials with split circumferential hydrides. Finite element models of thin sliced CT specimens with split circumferential hydrides and various slice thicknesses are developed with the assumption of the plane strain condition in the thickness direction except in the split circumferential hydride regions. The computational results indicate that with split circumferential hydrides, the crack tip opening displacement (CTOD) can increase 50% for thinner thin-sliced specimens under the same load per unit thickness. With the use of a strain-based failure criterion with split circumferential hydrides, the load per unit thickness for thinner thin-sliced specimens can reduce by at most 70% to meet the failure criterion.
C1 [Sung, Shin-Jang; Pan, Jwo] Univ Michigan, Mech Engn, Ann Arbor, MI 48109 USA.
[Lam, Poh-Sang] Savannah River Natl Lab, Aiken, SC USA.
[Scarth, Douglas A.] Kinectrics Inc, Toronto, ON, Canada.
RP Sung, SJ (reprint author), Univ Michigan, Mech Engn, Ann Arbor, MI 48109 USA.
FU CANDU Owner's Group
FX The support of this work from CANDU Owner's Group is greatly
appreciated.
NR 6
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5042-8
PY 2017
AR UNSP V06AT06A032
PG 5
WC Engineering, Mechanical
SC Engineering
GA BH0PI
UT WOS:000395838400032
ER
PT B
AU Sung, SJ
Pan, J
Lam, PS
Scarth, DA
AF Sung, Shin-Jang
Pan, Jwo
Lam, Poh-Sang
Scarth, Douglas A.
BE Ren, W
Zhu, XK
Duncan, A
TI THREE-DIMENSIONAL FINITE ELEMENT ANALYSES OF COMPACT TENSION SPECIMENS
OF IRRADIATED Zr-2.5Nb MATERIALS USING SUBMODELING
SO PROCEEDINGS OF THE ASME PRESSURE VESSELS AND PIPING CONFERENCE, 2016,
VOL 6A
LA English
DT Proceedings Paper
CT ASME Pressure Vessels and Piping Conference
CY JUL 17-21, 2016
CL Vancouver, CANADA
SP ASME, Pressure Vessels & Pip Div
AB In this paper, the crack tip stresses along the front of a crack in a compact tension (CT) specimen of irradiated Zr-2.5Nb material are investigated by three-dimensional finite element analyses. using the submodeling technique. A parametric study on two-dimensional submodeling of a CT specimen was first conducted to determine the appropriate mesh near the crack tip of a global model and the appropriate size of a submodel. The results show that the collapsed elements should be used near the crack tip in a global model and the region of a submodel should at least enclose the plastic zone to achieve acceptable results. With the submodeling strategy, a three-dimensional finite element analysis of the CT specimen is conducted. The distributions of the opening stress and out-of-plane normal stress ahead of the front of a crack in the CT specimen are obtained. Based on the computational results with the hydride fracture stress of 750 MPa for both radial and circumferential hydrides, all radial hydrides ahead of the crack front and the circumferential hydrides in the middle portion of the specimen should fracture at the specimen load of 3,000 N. Circumferential hydrides near the free surfaces do not fracture and the size of the zone without fractured circumferential hydrides increases with the increasing radial distance to the crack front. The computational results also show the three-dimensional effects on the variation of the plastic zone size and shape along the crack front, that is different from the conventional understanding of a dog-bone shape where the plastic zone on the free surface follows that under plane stress conditions and the plastic zone near the middle portion of the crack front follows that under plane strain conditions.
C1 [Sung, Shin-Jang; Pan, Jwo] Univ Michigan, Mech Engn, Ann Arbor, MI 48109 USA.
[Lam, Poh-Sang] Savannah River Natl Lab, Aiken, SC USA.
[Scarth, Douglas A.] Kinectrics Inc, Toronto, ON, Canada.
RP Sung, SJ (reprint author), Univ Michigan, Mech Engn, Ann Arbor, MI 48109 USA.
NR 6
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5042-8
PY 2017
AR UNSP V06AT06A031
PG 9
WC Engineering, Mechanical
SC Engineering
GA BH0PI
UT WOS:000395838400031
ER
PT J
AU Kelly, EJ
Hamada, MS
Vander Wiel, SA
Ryne, RD
AF Kelly, E. J.
Hamada, M. S.
Vander Wiel, S. A.
Ryne, R. D.
TI Optimal inspection of a finite population
SO QUALITY ENGINEERING
LA English
DT Article
DE cost optimality; finite population; optimal inspection frequency;
quality control
ID POLICIES
AB This article presents a method for determining an optimal quality control (QC) inspection frequency for a manufacturing process where a specified number of items will be produced and where, if the process goes out of control and generates a defective item, it stays out of control. In addition, there is a QC inspection procedure than can detect a defective item. The frequency of inspection is based on minimizing the total cost. The total cost includes the cost of QC inspections plus the cost of manufacturing defective items. In this application the cost of manufacturing defective items is, after identifying a defective item, the cost of checking previously manufactured items until it is determined when the process went out of control, i.e., until a good item is found.
C1 [Kelly, E. J.; Hamada, M. S.; Vander Wiel, S. A.] Los Alamos Natl Lab, Stat Sci Grp, Mail Stop F600, Los Alamos, NM 87545 USA.
[Ryne, R. D.] Lawrence Berkeley Natl Lab, Berkeley, CA USA.
RP Hamada, MS (reprint author), Los Alamos Natl Lab, Stat Sci Grp, Mail Stop F600, Los Alamos, NM 87545 USA.
EM hamada@lanl.gov
NR 6
TC 0
Z9 0
U1 0
U2 0
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0898-2112
EI 1532-4222
J9 QUAL ENG
JI Qual. Eng.
PY 2017
VL 29
IS 2
BP 254
EP 261
DI 10.1080/08982112.2016.1218025
PG 8
WC Engineering, Industrial; Statistics & Probability
SC Engineering; Mathematics
GA EM6FI
UT WOS:000395407800008
ER
PT J
AU Foster, KR
Moulder, JE
Budinger, TF
AF Foster, Kenneth R.
Moulder, John E.
Budinger, Thomas F.
TI Will an MRI Examination Damage Your Genes?
SO RADIATION RESEARCH
LA English
DT Editorial Material
ID DOUBLE-STRAND BREAKS; HUMAN BLOOD-LYMPHOCYTES; T MAGNETIC-RESONANCE; DNA
INTEGRITY; IN-VITRO; BODY; GAMMA-H2AX; IMPACT
C1 [Foster, Kenneth R.] Univ Penn, Dept Bioengn, 220 S 33rd St, Philadelphia, PA 19104 USA.
[Moulder, John E.] Med Coll Wisconsin, Dept Radiat Oncol, Milwaukee, WI 53226 USA.
[Budinger, Thomas F.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA.
[Budinger, Thomas F.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Foster, KR (reprint author), Univ Penn, Dept Bioengn, 220 S 33rd St, Philadelphia, PA 19104 USA.
EM kfoster@seas.upenn.edu
NR 39
TC 0
Z9 0
U1 0
U2 0
PU RADIATION RESEARCH SOC
PI LAWRENCE
PA 810 E TENTH STREET, LAWRENCE, KS 66044 USA
SN 0033-7587
EI 1938-5404
J9 RADIAT RES
JI Radiat. Res.
PD JAN
PY 2017
VL 187
IS 1
BP 1
EP 6
DI 10.1667/RR14529.1
PG 6
WC Biology; Biophysics; Radiology, Nuclear Medicine & Medical Imaging
SC Life Sciences & Biomedicine - Other Topics; Biophysics; Radiology,
Nuclear Medicine & Medical Imaging
GA EM1XR
UT WOS:000395111100001
PM 28054836
ER
PT J
AU Britten, RA
Jewell, JS
Duncan, VD
Davis, LK
Hadley, MM
Wyrobek, AJ
AF Britten, Richard A.
Jewell, Jessica S.
Duncan, Vania D.
Davis, Leslie K.
Hadley, Melissa M.
Wyrobek, Andrew J.
TI Spatial Memory Performance of Socially Mature Wistar Rats is Impaired
after Exposure to Low (5 cGy) Doses of 1 GeV/n Ti-48 Particles
SO RADIATION RESEARCH
LA English
DT Article
ID SET-SHIFTING PERFORMANCE; FE-56 PARTICLES; COGNITIVE PERFORMANCE;
RADIATION; IRRADIATION; HIPPOCAMPUS; MICE; RAYS
AB Prolonged deep space missions to planets and asteroids will expose astronauts to galactic cosmic radiation (GCR), a mixture of low-LET ionizing radiations, high-energy protons and high-Z and energy (HZE) particles. Ground-based experiments are used to determine whether this radiation environment will have an effect on the long-term health of astronauts and their ability to complete various tasks during their mission. Emerging data suggest that mission-relevant HZE doses impair several hippocampus-dependent neurocognitive processes in rodents, but that there is substantial interindividual variation in the severity of neurocognitive impairment, ranging from no observable effects to severe impairment. While the majority of studies have established the effect that the most abundant HZE species (Fe-56) has on neurocognition, some studies suggest that the lighter Ti-48 HZE particles may be equally, if not more, potent at impairing neurocognition. In this study, we assessed the effect that exposure to 5-20 cGy 1 GeV/n Ti-48 had on the spatial memory performance of socially mature male Wistar rats. Acute exposures to mission-relevant doses (<= 5 cGy) of 1 GeV/n Ti-48 significantly (P < 0.05) reduced the mean spatial memory performance of the rats at three months after exposure, and significantly (P < 0.015) increased the percentage of rats that have severe (Z score >= 2) impairment, i.e., poor performers. Collectively, these data further support the notion that the LET dependency of neurocognitive impairment may differ from that of cell killing. (C) 2017 by Radiation Research Society
C1 [Britten, Richard A.; Jewell, Jessica S.; Duncan, Vania D.; Davis, Leslie K.; Hadley, Melissa M.] Eastern Virginia Med Sch, Dept Radiat Oncol, 700 W Olney Rd,Lewis Hall, Norfolk, VA 23507 USA.
[Britten, Richard A.] Eastern Virginia Med Sch, Dept Microbiol, Norfolk, VA 23507 USA.
[Britten, Richard A.] Eastern Virginia Med Sch, Leroy T Canoles Jr Canc Ctr, Norfolk, VA 23507 USA.
[Wyrobek, Andrew J.] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA.
RP Britten, RA (reprint author), Eastern Virginia Med Sch, Dept Radiat Oncol, 700 W Olney Rd,Lewis Hall, Norfolk, VA 23507 USA.
EM brittera@evms.edu
FU NASA [NNX11AC56G, NNX14AE73G, NNJ14HP06I]
FX This work was funded by NASA (grant nos. NNX11AC56G and NNX14AE73G), AJW
was supported by NASA grant NNJ14HP06I). The authors are indebted to Dr.
Adam Rusek for assistance with animal irradiations at Brookhaven
National Laboratories. This study would not have been possible without
his help.
NR 24
TC 0
Z9 0
U1 0
U2 0
PU RADIATION RESEARCH SOC
PI LAWRENCE
PA 810 E TENTH STREET, LAWRENCE, KS 66044 USA
SN 0033-7587
EI 1938-5404
J9 RADIAT RES
JI Radiat. Res.
PD JAN
PY 2017
VL 187
IS 1
BP 60
EP 65
DI 10.1667/RR14550.1
PG 6
WC Biology; Biophysics; Radiology, Nuclear Medicine & Medical Imaging
SC Life Sciences & Biomedicine - Other Topics; Biophysics; Radiology,
Nuclear Medicine & Medical Imaging
GA EM1XR
UT WOS:000395111100007
PM 28085638
ER
PT J
AU Wang, CZ
Wu, QY
Lan, JH
Chai, ZF
Gibson, JK
Shi, WQ
AF Wang, Cong-Zhi
Wu, Qun-Yan
Lan, Jian-Hui
Chai, Zhi-Fang
Gibson, John K.
Shi, Wei-Qun
TI Binuclear trivalent and tetravalent uranium halides and cyanides
supported by cyclooctatetraene ligands
SO RADIOCHIMICA ACTA
LA English
DT Article
DE Density functional calculations; binuclear uranium complexes; halides;
cyanides; cyclooctatetraene
ID TRANSITION-METAL-COMPLEXES; SEGMENTED CONTRACTION SCHEME; EXCHANGE
COUPLING-CONSTANTS; PSEUDOPOTENTIAL BASIS-SETS; DENSITY-FUNCTIONAL
THEORY; ELECTRONIC-STRUCTURES; M(CO)(6) M=CR; MAGNETIC-PROPERTIES;
CORRELATION-ENERGY; APPROXIMATION
AB Although the first organoactinide chloride Cp3UCl (Cp = eta(5)-C H-5(5)) was synthesized more than 50 years ago, binuclear uranium halides remain very rare in organoactinide chemistry. Herein, a series of binuclear trivalent and tetravalent uranium halides and cyanides with cyclooctatetraene ligands, (COT)(2)U2Xn (COT = eta(8)-C8H8; X = F, Cl, CN; n = 2, 4), have been systematically studied using scalar-relativistic density functional theory (DFT). The structures with bridging halide or cyanide ligands were predicted to be the most stable complexes of (COT)(2)U2X (n), and all the complexes show weak antiferromagnetic interactions between the uranium centers. However, for each species, there is no significant uranium-uranium bonding interaction. The bonding between the metal and the ligands shows some degree of covalent character, especially between the metal and terminal halide or cyanide ligands. The U-5f and 6d orbitals are predominantly involved in the metal-ligand bonding. All the (COT)(2)U2Xn species were predicted to be more stable compared to the mononuclear half-sandwich complexes at room temperature in the gas phase such that (COT)(2)U2X4 might be accessible through the known (COT)(2)U complex. The tetravalent derivatives (COT)(2)U2X4 are more energetically favorable than the trivalent (COT)(2)U2X2 analogs, which may be attributed to the greater number of strong metal-ligand bonds in the former complexes.
C1 [Wang, Cong-Zhi; Wu, Qun-Yan; Lan, Jian-Hui; Chai, Zhi-Fang; Shi, Wei-Qun] Chinese Acad Sci, Inst High Energy Phys, Lab Nucl Energy Chem, Beijing 100049, Peoples R China.
[Wang, Cong-Zhi; Wu, Qun-Yan; Lan, Jian-Hui; Chai, Zhi-Fang; Shi, Wei-Qun] Chinese Acad Sci, Inst High Energy Phys, Key Lab Biomed Effects Nanomat & Nanosafety, Beijing 100049, Peoples R China.
[Chai, Zhi-Fang] Soochow Univ, Sch Radiol & Interdisciplinary Sci RAD X, Suzhou 215123, Peoples R China.
[Chai, Zhi-Fang] Soochow Univ, Collaborat Innovat Ctr Radiat Med Jiangsu Higher, Suzhou 215123, Peoples R China.
[Gibson, John K.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Shi, WQ (reprint author), Chinese Acad Sci, Inst High Energy Phys, Lab Nucl Energy Chem, Beijing 100049, Peoples R China.; Shi, WQ (reprint author), Chinese Acad Sci, Inst High Energy Phys, Key Lab Biomed Effects Nanomat & Nanosafety, Beijing 100049, Peoples R China.
EM shiwq@ihep.ac.cn
FU National Natural Science Foundation of China [21201166]; Major Research
Plan "Breeding and Transmutation of Nuclear Fuel in Advanced Nuclear
Fission Energy System" of Natural Science Foundation of China [91426302,
91326202]; "Strategic Priority Research Program" of the Chinese Academy
of Sciences [XDA030104]; China Postdoctoral Science Foundation
[2013T60173, 2013M541042]; U.S. Department of Energy, Office of Basic
Energy Sciences, Heavy Element Chemistry, at LBNL [DE-AC02-05CH11231]
FX This work was supported by the National Natural Science Foundation of
China (Grant no. 21201166), the Major Research Plan "Breeding and
Transmutation of Nuclear Fuel in Advanced Nuclear Fission Energy System"
of Natural Science Foundation of China (Grant nos. 91426302, 91326202),
the "Strategic Priority Research Program" of the Chinese Academy of
Sciences (Grant no. XDA030104), and China Postdoctoral Science
Foundation funded project (Grant nos. 2013T60173 and 2013M541042). The
results described in this work were obtained on the ScGrid of
Supercomputing Center, Computer Network Information Center of Chinese
Academy of Sciences. The work of JKG 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.
NR 61
TC 0
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U1 1
U2 1
PU WALTER DE GRUYTER GMBH
PI BERLIN
PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY
SN 0033-8230
J9 RADIOCHIM ACTA
JI Radiochim. Acta
PD JAN
PY 2017
VL 105
IS 1
BP 21
EP 32
DI 10.1515/ract-2016-2615
PG 12
WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology
SC Chemistry; Nuclear Science & Technology
GA EK9LK
UT WOS:000394245800002
ER
PT J
AU Baranov, D
Hill, RJ
Ryu, J
Park, SD
Huerta-Viga, A
Carollo, AR
Jonas, DM
AF Baranov, Dmitry
Hill, Robert J.
Ryu, Jisu
Park, Samuel D.
Huerta-Viga, Adriana
Carollo, Alexa R.
Jonas, David M.
TI Interferometrically stable, enclosed, spinning sample cell for
spectroscopic experiments on air-sensitive samples
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Review
ID PUMP-PROBE SPECTROSCOPY; QUANTUM DOTS; RESONANCE RAMAN;
ULTRACENTRIFUGATION; PHOTOISOMERIZATION; DIFFRACTION; DYNAMICS
AB In experiments with high photon flux, it is necessary to rapidly remove the sample from the beam and to delay re-excitation until the sample has returned to equilibrium. Rapid and complete sample exchange has been a challenge for air-sensitive samples and for vibration-sensitive experiments. Here, a compact spinning sample cell for air and moisture sensitive liquid and thin film samples is described. The principal parts of the cell are a copper gasket sealed enclosure, a 2.5 in. hard disk drive motor, and a reusable, chemically inert glass sandwich cell. The enclosure provides an oxygen and water free environment at the 1 ppm level, as demonstrated by multi-day tests with sodium benzophenone ketyl radical. Inside the enclosure, the glass sandwich cell spins at approximate to 70 Hz to generate tangential speeds of 7-12 m/s that enable complete sample exchange at 100 kHz repetition rates. The spinning cell is acoustically silent and compatible with a +/-1 nm rms displacement stability interferometer. In order to enable the use of the spinning cell, we discuss centrifugation and how to prevent it, introduce the cycle-averaged resampling rate to characterize repetitive excitation, and develop a figure of merit for a long-lived photoproduct buildup. Published by AIP Publishing.
C1 [Baranov, Dmitry; Ryu, Jisu; Park, Samuel D.; Huerta-Viga, Adriana; Carollo, Alexa R.; Jonas, David M.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
[Hill, Robert J.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA.
[Hill, Robert J.] Intel Corp, 2501 NW 229th Ave,RA3-353, Hillsboro, OR 97124 USA.
[Park, Samuel D.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87123 USA.
RP Jonas, DM (reprint author), Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
EM david.jonas@colorado.edu
OI Baranov, Dmitry/0000-0001-6439-8132
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences
[DE-FG02-07ER15912]; Center for Advanced Solar Photophysics (CASP), an
Energy Frontier Research Center by the U.S. Department of Energy, Office
of Science, Office of Basic Energy Sciences; Colorado Energy Research
Collaboratory through the Center for Revolutionary Solar
Photoconversion; CONACYT; National Science Foundation Graduate Research
Fellowship Program [DGE-1144083]
FX This material is based upon work of D.B., J.R., S.D.P., and D.M.J.
supported by the U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and
Biosciences under Award Number DE-FG02-07ER15912. Materials and work of
R.J.H. on a preliminary HDD spinning cell with an oring sealed enclosure
were supported by the Center for Advanced Solar Photophysics (CASP), an
Energy Frontier Research Center funded by the U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences, and by the Colorado
Energy Research Collaboratory through the Center for Revolutionary Solar
Photoconversion. A.H.V. acknowledges support from CONACYT through a
postdoctoral fellowship. A.R.C. is supported by the National Science
Foundation Graduate Research Fellowship Program under Grant No.
DGE-1144083. Any opinions, findings, and conclusions or recommendations
expressed in this material are those of the authors and do not
necessarily reflect the views of the National Science Foundation.
Machining, welding, and electrical connection of parts for the airtight
enclosure were accomplished by personnel at the CIRES Integrated
Instrument Development Facility (IIDF). D.B. and R.J.H. wish to thank
Don David, Yehor Novikov, Jim Kastengren (all CIRES IIDF), Craig Joy
(Department of Physics Trades Teaching Lab), and William Peters for
technical advice and assistance. D.B. would like to thank Dr. Avi
Mukherjee of AGC GS (Glass Substrate Division) for generously providing
the samples of HDD glass substrates for the experiments.
NR 41
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2017
VL 88
IS 1
AR 014101
DI 10.1063/1.4973666
PG 9
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA EM6BD
UT WOS:000395396900036
PM 28147656
ER
PT J
AU Chuang, YD
Shao, YC
Cruz, A
Hanzel, K
Brown, A
Frano, A
Qiao, RM
Smith, B
Domning, E
Huang, SW
Wray, LA
Lee, WS
Shen, ZX
Devereaux, TP
Chiou, JW
Pong, WF
Yashchuk, VV
Gullikson, E
Reininger, R
Yang, WL
Guo, JH
Duarte, R
Hussain, Z
AF Chuang, Yi-De
Shao, Yu-Cheng
Cruz, Alejandro
Hanzel, Kelly
Brown, Adam
Frano, Alex
Qiao, Ruimin
Smith, Brian
Domning, Edward
Huang, Shih-Wen
Wray, L. Andrew
Lee, Wei-Sheng
Shen, Zhi-Xun
Devereaux, Thomas P.
Chiou, Jaw-Wern
Pong, Way-Faung
Yashchuk, Valeriy V.
Gullikson, Eric
Reininger, Ruben
Yang, Wanli
Guo, Jinghua
Duarte, Robert
Hussain, Zahid
TI Modular soft x-ray spectrometer for applications in energy sciences and
quantum materials
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Review
ID SILICON DRIFT DETECTORS; HIGH-RESOLUTION; EMISSION-SPECTROSCOPY; LITHIUM
BATTERIES; IN-SITU; SCATTERING; MONOCHROMATOR; DESIGN; EXCITATIONS;
BEAMLINE
AB Over the past decade, the advances in grating-based soft X-ray spectrometers have revolutionized the soft X-ray spectroscopies in materials research. However, these novel spectrometers are mostly dedicated designs, which cannot be easily adopted for applications with diverging demands. Here we present a versatile spectrometer design concept based on the Hettrick-Underwood optical scheme that uses modular mechanical components. The spectrometer's optics chamber can be used with gratings operated in either inside or outside orders, and the detector assembly can be reconfigured accordingly. The spectrometer can be designed to have high spectral resolution, exceeding 10 000 resolving power when using small source (similar to 1 mu m) and detector pixels (similar to 5 mu m) with high line density gratings (similar to 3000 lines/mm), or high throughput at moderate resolution. We report two such spectrometers with slightly different design goals and optical parameters in this paper. We show that the spectrometer with high throughput and large energy window is particularly useful for studying the sustainable energy materials. We demonstrate that the extensive resonant inelastic X-ray scattering (RIXS) map of battery cathode material LiNi1/3Co1/3Mn1/3O2 can be produced in few hours using such a spectrometer. Unlike analyzing only a handful of RIXS spectra taken at selected excitation photon energies across the elemental absorption edges to determine various spectral features like the localized dd excitations and non-resonant fluorescence emissions, these features can be easily identified in the RIXS maps. Studying such RIXS maps could reveal novel transition metal redox in battery compounds that are sometimes hard to be unambiguously identified in X-ray absorption and emission spectra. We propose that this modular spectrometer design can serve as the platform for further customization to meet specific scientific demands. (C) 2017 Author(s).
C1 [Chuang, Yi-De; Cruz, Alejandro; Frano, Alex; Qiao, Ruimin; Yashchuk, Valeriy V.; Yang, Wanli; Guo, Jinghua; Hussain, Zahid] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Shao, Yu-Cheng; Pong, Way-Faung] Tamkang Univ, Dept Phys, New Taipei 25137, Taiwan.
[Hanzel, Kelly; Brown, Adam; Smith, Brian; Domning, Edward; Duarte, Robert] Lawrence Berkeley Natl Lab, Div Engn, Berkeley, CA 94720 USA.
[Frano, Alex] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Huang, Shih-Wen] Lund Univ, MAX Lab 4, SE-22100 Lund, Sweden.
[Wray, L. Andrew] NYU, Dept Phys, 4 Washington Pl, New York, NY 10003 USA.
[Lee, Wei-Sheng; Shen, Zhi-Xun; Devereaux, Thomas P.] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA.
[Shen, Zhi-Xun] Stanford Univ, Dept Phys, Stanford, CA 94305 USA.
[Chiou, Jaw-Wern] Natl Univ Kaohsiung, Dept Appl Phys, Kaohsiung 811, Taiwan.
[Gullikson, Eric] Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA.
[Reininger, Ruben] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Chuang, YD (reprint author), Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
EM ychuang@lbl.gov
RI Yang, Wanli/D-7183-2011; Qiao, Ruimin/E-9023-2013
OI Yang, Wanli/0000-0003-0666-8063;
FU Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy [DE-AC02-05CH11231, DE-AC02-06CH11357]; U.S.
Department of Energy, Office of Science, Basic Energy Sciences,
Materials Sciences and Engineering Division [DE-AC02-06CH11357,
DE-AC02-76SF00515]; Department of Energy, Office of Science, Basic
Energy Sciences, Materials Sciences and Engineering Division
[DE-AC02-76SF00515]
FX 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. W.-S.L, Z.-X.S. and T.P.S.
are supported by the U.S. Department of Energy, Office of Science, Basic
Energy Sciences, Materials Sciences and Engineering Division, under
Contract DE-AC02-76SF00515. The Advanced Photon 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-AC02-06CH11357. qRIXS
endstation and MXS are partially funded by Department of Energy, Office
of Science, Basic Energy Sciences, Materials Sciences and Engineering
Division, under Contract DE-AC02-76SF00515.
NR 51
TC 1
Z9 1
U1 3
U2 3
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2017
VL 88
IS 1
AR 013110
DI 10.1063/1.4974356
PG 11
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA EM6BD
UT WOS:000395396900011
ER
PT J
AU Doran, A
Schlicker, L
Beavers, CM
Bhat, S
Bekheet, MF
Gurlo, A
AF Doran, A.
Schlicker, L.
Beavers, C. M.
Bhat, S.
Bekheet, M. F.
Gurlo, A.
TI Compact low power infrared tube furnace for in situ X-ray powder
diffraction
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Review
ID THERMAL-EXPANSION; CORUNDUM; IN2O3
AB We describe the development and implementation of a compact, low power, infrared heated tube furnace for in situ powder X-ray diffraction experiments. Our silicon carbide (SiC) based furnace design exhibits outstanding thermal performance in terms of accuracy control and temperature ramping rates while simultaneously being easy to use, robust to abuse and, due to its small size and low power, producing minimal impact on surrounding equipment. Temperatures in air in excess of 1100 degrees C can be controlled at an accuracy of better than 1%, with temperature ramping rates up to 100 degrees C/s. The complete "add-in" device, minus power supply, fits in a cylindrical volume approximately 15 cm long and 6 cm in diameter and resides as close as 1 cm from other sensitive components of our experimental synchrotron endstation without adverse effects. Published by AIP Publishing.
C1 [Doran, A.; Beavers, C. M.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Schlicker, L.; Bhat, S.] Tech Univ Darmstadt, Inst Geo & Mat Wissensch, Fachgebiet Disperse Feststoffe, Jovanka Bontschits St 2, D-64285 Darmstadt, Germany.
[Schlicker, L.; Bekheet, M. F.; Gurlo, A.] Tech Univ Berlin, Inst Werkstoffwissensch & Technol, Fachgebiet Keram Werkstoffe, Chair Adv Ceram Mat, Hardenbergstr 40, D-10623 Berlin, Germany.
[Beavers, C. M.] UC Santa Cruz, Earth & Planetary Sci, 1156 High St, Santa Cruz, CA 95064 USA.
RP Doran, A (reprint author), Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
EM adoran@lbl.gov
OI Doran, Andrew/0000-0001-5158-4569; Bekheet, Maged/0000-0003-1778-0288
FU Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy [DE-AC02-05CH11231]; COMPRES, the Consortium for
Materials Properties Research in Earth Sciences under NSF [EAR
11-57758]; German Research Foundation (DFG) [SPP 1415, GU 992/12-1];
Advanced Light Source BL12.2.2 for beam time [DD00087]
FX A.D. would like to thank Dr. Musa Ahmed and Dr. Tyler Troy of the
Chemical Sciences Division of Lawrence Berkeley Laboratory for the
connection to a supplier of small diameter SiC tubes. 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. This research was partially supported by COMPRES, the
Consortium for Materials Properties Research in Earth Sciences under NSF
Cooperative Agreement No. EAR 11-57758.; L.S. and A.G. would like to
thank the German Research Foundation (DFG) for financial support within
the priority program SPP 1415 (Grant No. GU 992/12-1) and the Advanced
Light Source BL12.2.2 for beam time within Proposal No. DD00087.
NR 22
TC 1
Z9 1
U1 1
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2017
VL 88
IS 1
AR 013903
DI 10.1063/1.4973561
PG 6
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA EM6BD
UT WOS:000395396900034
PM 28147689
ER
PT J
AU Freeman, MS
Allison, J
Andrews, M
Ferm, E
Goett, JJ
Kwiatkowski, K
Lopez, J
Mariam, F
Marr-Lyon, M
Martinez, M
Medina, J
Medina, P
Merrill, FE
Morris, CL
Murray, MM
Nedrow, P
Neukirch, LP
Prestridge, K
Rigg, P
Saunders, A
Schurman, T
Tainter, A
Trouw, F
Tupa, D
Tybo, J
Vogan-McNeil, W
Wilde, C
AF Freeman, Matthew S.
Allison, Jason
Andrews, Malcolm
Ferm, Eric
Goett, John J., III
Kwiatkowski, Kris
Lopez, Julian
Mariam, Fesseha
Marr-Lyon, Mark
Martinez, Michael
Medina, Jason
Medina, Patrick
Merrill, Frank E.
Morris, Chris L.
Murray, Matthew M.
Nedrow, Paul
Neukirch, Levi P.
Prestridge, Katherine
Rigg, Paolo
Saunders, Alexander
Schurman, Tamsen
Tainter, Amy
Trouw, Frans
Tupa, Dale
Tybo, Josh
Vogan-McNeil, Wendy
Wilde, Carl
TI Inverse-collimated proton radiography for imaging thin materials
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Review
ID MCNP5
AB Relativistic, magnetically focused proton radiography was invented at Los Alamos National Laboratory using the 800 MeV LANSCE beam and is inherently well-suited to imaging dense objects, at areal densities >20 g cm(-2). However, if the unscattered portion of the transmitted beam is removed at the Fourier plane through inverse-collimation, this system becomes highly sensitive to very thin media, of areal densities <100 mg cm(-2). Here, this inverse-collimation scheme is described in detail and demonstrated by imaging Xe gas with a shockwave generated by an aluminum plate compressing the gas at Mach 8.8. With a 5-mrad inverse collimator, an areal density change of just 49 mg cm(-2) across the shock front is discernible with a contrast-to-noise ratio of 3. Geant4 modeling of idealized and realistic proton transports can guide the design of inverse-collimators optimized for specific experimental conditions and show that this technique performs better for thin targets with reduced incident proton beam emittance. This work increases the range of areal densities to which the system is sensitive to span from similar to 25 mg cm(-2) to 100 g cm(-2), exceeding three orders of magnitude. This enables the simultaneous imaging of a dense system as well as thin jets and ejecta material that are otherwise difficult to characterize with high-energy proton radiography. Published by AIP Publishing.
C1 [Freeman, Matthew S.; Allison, Jason; Andrews, Malcolm; Ferm, Eric; Goett, John J., III; Kwiatkowski, Kris; Lopez, Julian; Mariam, Fesseha; Marr-Lyon, Mark; Martinez, Michael; Medina, Jason; Medina, Patrick; Merrill, Frank E.; Morris, Chris L.; Murray, Matthew M.; Nedrow, Paul; Neukirch, Levi P.; Prestridge, Katherine; Rigg, Paolo; Saunders, Alexander; Schurman, Tamsen; Tainter, Amy; Trouw, Frans; Tupa, Dale; Tybo, Josh; Vogan-McNeil, Wendy; Wilde, Carl] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Freeman, MS (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
NR 29
TC 0
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U1 2
U2 2
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2017
VL 88
IS 1
AR 013709
DI 10.1063/1.4973767
PG 10
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA EM6BD
UT WOS:000395396900031
PM 28147693
ER
PT J
AU Hirvonen, LM
Fisher-Levine, M
Suhling, K
Nomerotski, A
AF Hirvonen, Liisa M.
Fisher-Levine, Merlin
Suhling, Klaus
Nomerotski, Andrei
TI Photon counting phosphorescence lifetime imaging with TimepixCam
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Review
ID ACQUISITION SPEED; TIME-DOMAIN; RESOLUTION; MICROSCOPY; DETECTORS;
COMPLEXES; ECONOMY
AB TimepixCam is a novel fast optical imager based on an optimized silicon pixel sensor with a thin entrance window and read out by a Timepix Application Specific Integrated Circuit. The 256 x 256 pixel sensor has a time resolution of 15 ns at a sustained frame rate of 10 Hz. We used this sensor in combination with an image intensifier for wide-field time-correlated single photon counting imaging. We have characterised the photon detection capabilities of this detector system and employed it on a wide-field epifluorescence microscope to map phosphorescence decays of various iridium complexes with lifetimes of about 1 mu s in 200 mu m diameter polystyrene beads. (C) 2017 Author(s).
C1 [Hirvonen, Liisa M.; Suhling, Klaus] Kings Coll London, Dept Phys, London WC2R 2LS, England.
[Fisher-Levine, Merlin; Nomerotski, Andrei] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Fisher-Levine, Merlin] Dept Astrophys Sci, Peyton Hall, Princeton, NJ 08544 USA.
[Hirvonen, Liisa M.] Kings Coll London, Randall Div Cell & Mol Biophys, New Hunts House,Guys Campus, London SE1 1UL, England.
RP Hirvonen, LM (reprint author), Kings Coll London, Dept Phys, London WC2R 2LS, England.; Hirvonen, LM (reprint author), Kings Coll London, Randall Div Cell & Mol Biophys, New Hunts House,Guys Campus, London SE1 1UL, England.
OI Hirvonen, Liisa/0000-0002-8616-8415
FU MRC Grant [K015664]; BNL LDRD Grant [13-006]
FX We thank Gil Bub from University of Oxford for the loan of the image
intensifier and Andrew Beeby from Durham University for the Ir beads.
K.S. gratefully acknowledges funding from MRC Grant No. K015664. A.N.
gratefully acknowledges funding from BNL LDRD Grant No. 13-006.
NR 44
TC 0
Z9 0
U1 1
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2017
VL 88
IS 1
AR 013104
DI 10.1063/1.4973717
PG 6
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA EM6BD
UT WOS:000395396900005
PM 28147700
ER
PT J
AU Knapp, PF
Ball, C
Austin, K
Hansen, SB
Kernaghan, MD
Lake, PW
Ampleford, DJ
McPherson, LA
Sandoval, D
Gard, P
Wu, M
Bourdon, C
Rochau, GA
McBride, RD
Sinars, DB
AF Knapp, P. F.
Ball, C.
Austin, K.
Hansen, S. B.
Kernaghan, M. D.
Lake, P. W.
Ampleford, D. J.
McPherson, L. A.
Sandoval, D.
Gard, P.
Wu, M.
Bourdon, C.
Rochau, G. A.
McBride, R. D.
Sinars, D. B.
TI A new time and space resolved transmission spectrometer for research in
inertial confinement fusion and radiation source development
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Review
ID SPECTROSCOPY
AB We describe the design and function of a new time and space resolved x-ray spectrometer for use in Z-pinch inertial confinement fusion and radiation source development experiments. The spectrometer is designed to measure x-rays in the range of 0.5-1.5 angstrom (8-25 keV) with a spectral resolution lambda/Delta lambda similar to 400. The purpose of this spectrometer is to measure the time-and one-dimensional space-dependent electron temperature and density during stagnation. These relatively high photon energies are required to escape the dense plasma created at stagnation and to obtain sensitivity to electron temperatures greater than or similar to 3 keV. The spectrometer is of the Cauchois type, employing a large 30 x 36 mm(2), transmissive quartz optic for which a novel solid beryllium holder was designed. The performance of the crystal was verified using offline tests, and the integrated system was tested using experiments on the Z pulsed power accelerator. Published by AIP Publishing.
C1 [Knapp, P. F.; Ball, C.; Austin, K.; Hansen, S. B.; Kernaghan, M. D.; Lake, P. W.; Ampleford, D. J.; McPherson, L. A.; Sandoval, D.; Gard, P.; Wu, M.; Bourdon, C.; Rochau, G. A.; McBride, R. D.; Sinars, D. B.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[McBride, R. D.] Univ Michigan, Ann Arbor, MI 48109 USA.
RP Knapp, PF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
FU Lockheed Martin Corporation; U.S. Department of Energy's National
Nuclear Security Administration [DE-AC04-94AL85000]
FX Sandia National Laboratories is a multi-mission laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration under Contract No. DE-AC04-94AL85000.
NR 19
TC 0
Z9 0
U1 2
U2 2
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2017
VL 88
IS 1
AR 013504
DI 10.1063/1.4973914
PG 6
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA EM6BD
UT WOS:000395396900018
PM 28147637
ER
PT J
AU Sio, H
Hua, R
Ping, Y
McGuffey, C
Beg, F
Heeter, R
Li, CK
Petrasso, RD
Collins, GW
AF Sio, H.
Hua, R.
Ping, Y.
McGuffey, C.
Beg, F.
Heeter, R.
Li, C. K.
Petrasso, R. D.
Collins, G. W.
TI A broadband proton backlighting platform to probe shock propagation in
low-density systems
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Review
ID INERTIAL-CONFINEMENT FUSION; ELECTROMAGNETIC-FIELD; OMEGA LASER; PLASMA;
IMPLOSIONS; WAVE; SIMULATIONS; DIAGNOSTICS; RADIOGRAPHY; IGNITION
AB A proton backlighting platform has been developed for the study of strong shock propagation in low-density systems in planar geometry. Electric fields at the converging shock front in inertial confinement fusion implosions have been previously observed, demonstrating the presence of-and the need to understand-strong electric fields not modeled in standard radiation-hydrodynamic simulations. In this planar configuration, long-pulse ultraviolet lasers are used to drive a strong shock into a gas-cell target, while a short-pulse proton backlighter side-on radiographs the shock propagation. The capabilities of the platform are presented here. Future experiments will vary shock strength and gas fill, to probe shock conditions at different Z and T-e. Published by AIP Publishing.
C1 [Sio, H.; Li, C. K.; Petrasso, R. D.] MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
[Hua, R.; McGuffey, C.; Beg, F.] Univ Calif San Diego, Ctr Energy Res, La Jolla, CA 92093 USA.
[Ping, Y.; Heeter, R.; Collins, G. W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Sio, H (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
EM hsio@mit.edu
OI McGuffey, Christopher/0000-0002-8162-192X
FU DOE [DE-AC52-07NA27344]; OFES Early Career program; LLNL LDRD program;
Air Force Office of Scientific Research Young Investigator Program
[FA9550-14-1-0346]; DOE NNSA Stewardship Science Graduate Fellowship
[DE-FC52-08NA28752]
FX We thank Russel Wallace and the team at General Atomics for excellent
work on target fabrication, Nickolas Whiting and the OMEGA-EP team for
outstanding experimental support, and Christine Krauland and Shubo Yin
for helpful discussions. This work was performed under DOE Contract No.
DE-AC52-07NA27344 with support from OFES Early Career program and LLNL
LDRD program. C.M. acknowledges support through the Air Force Office of
Scientific Research Young Investigator Program Grant No.
FA9550-14-1-0346. H. Sio is supported by the DOE NNSA Stewardship
Science Graduate Fellowship (Grant No. DE-FC52-08NA28752).
NR 37
TC 0
Z9 0
U1 2
U2 2
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2017
VL 88
IS 1
AR 013503
DI 10.1063/1.4973893
PG 6
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA EM6BD
UT WOS:000395396900017
PM 28147638
ER
PT J
AU Zhang, X
Xu, C
Wang, LY
Chen, YR
Li, MM
Almer, JD
Benda, E
Kenesei, P
Mashayekhi, A
Park, JS
Westferro, FJ
AF Zhang, Xuan
Xu, Chi
Wang, Leyun
Chen, Yiren
Li, Meimei
Almer, Jonathan D.
Benda, Erika
Kenesei, Peter
Mashayekhi, Ali
Park, Jun-Sang
Westferro, Frank J.
TI iRadMat: A thermo-mechanical testing system for in situ high-energy
X-ray characterization of radioactive specimens
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Review
ID DIFFRACTION MICROSCOPY; MATERIALS CHALLENGES; NUCLEAR-ENERGY; EVOLUTION;
STEEL; DEFORMATION; RADIATION
AB We present an in situ Radiated Materials (iRadMat) experimental module designed to interface with a servo-hydraulic load frame for X-ray measurements at beamline 1-ID at the Advanced Photon Source. This new capability allows in situ studies of radioactive specimens subject to thermo-mechanical loading using a suite of high-energy X-ray scattering and imaging techniques. The iRadMat is a radiation-shielded vacuum heating system with the sample rotation-under-load capability. We describe the design features and performances of the iRadMat and present a dataset from a 300 degrees C uniaxial tensile test of a neutron-irradiated pure Fe specimen to demonstrate its capabilities. Published by AIP Publishing.
C1 [Zhang, Xuan; Xu, Chi; Wang, Leyun; Chen, Yiren; Li, Meimei] Argonne Natl Lab, Nucl Engn Div, Lemont, IL 60439 USA.
[Almer, Jonathan D.; Benda, Erika; Kenesei, Peter; Mashayekhi, Ali; Park, Jun-Sang; Westferro, Frank J.] Argonne Natl Lab, Adv Photon Source, Lemont, IL 60439 USA.
[Xu, Chi] Univ Florida, Nucl Engn Program, Mat Sci & Engn Dept, Gainesville, FL 32611 USA.
[Wang, Leyun] Shanghai Jiao Tong Univ, Shanghai, Peoples R China.
RP Li, MM (reprint author), Argonne Natl Lab, Nucl Engn Div, Lemont, IL 60439 USA.
EM mli@anl.gov
OI Li, Meimei/0000-0002-0320-4477
FU U.S. Department of Energy, Office of Nuclear Energy [DE-AC02-06CH11357];
DOE Office of Science by Argonne National Laboratory
[DE-AC02-06CH11357]; Nuclear Science User Facilities (NSUF)
FX Work was supported by the U.S. Department of Energy, Office of Nuclear
Energy, for the Nuclear Energy Enabling Technology (NEET) Program under
Contract No. DE-AC02-06CH11357. This research used resources of the
Advanced Photon Source, a U.S. Department of Energy (DOE) Office of
Science User Facility operated for the DOE Office of Science by Argonne
National Laboratory under Contract No. DE-AC02-06CH11357.
Neutron-irradiated specimens were prepared by the University of Illinois
at Urbana-Champaign and irradiated at the Advanced Test Reactor (ATR) at
the Idaho National Laboratory through the university neutron irradiation
program awarded by the Nuclear Science User Facilities (NSUF). The
authors would like to thank Roger Ranay at the Advanced Photon Source
and Loren A. Knoblich at the Irradiated Materials Laboratory at Argonne
National Laboratory for their technical assistance.
NR 27
TC 0
Z9 0
U1 2
U2 2
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2017
VL 88
IS 1
AR 015111
DI 10.1063/1.4974246
PG 11
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA EM6BD
UT WOS:000395396900064
ER
PT J
AU David, SA
Miller, RG
Feng, Z
AF David, S. A.
Miller, R. G.
Feng, Z.
TI Welding of unique and advanced alloys for space and high-temperature
applications: welding and weldability of iridium and platinum alloys
SO SCIENCE AND TECHNOLOGY OF WELDING AND JOINING
LA English
DT Article
ID ELECTRON-BEAM WELDS; STAINLESS-STEEL; HOT CRACKING; SOLIDIFICATION
STRUCTURE; HEAT-TRANSFER; GTA WELDS; LASER; ARC
AB In the last five decades, significant advances have been made in developing alloys for space power systems for spacecraft that travel long distances to various planets. The spacecraft are powered by radioisotope thermoelectric generators (RTGs). The fuel element in RTGs is plutonia. For safety and containment of the radioactive fuel element, the heat source is encapsulated in iridium or platinum alloys. Ir and Pt alloys are the alloys of choice for encapsulating radioisotope fuel pellets. Ir and Pt alloys were chosen because of their high-temperature properties and compatibility with the oxide fuel element and the graphite impact shells. This review addresses the alloy design and welding and weldability of Ir and Pt alloys for use in RTGs.
C1 [David, S. A.; Miller, R. G.; Feng, Z.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Bldg 4508, Oak Ridge, TN 37831 USA.
RP David, SA (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Bldg 4508, Oak Ridge, TN 37831 USA.
EM standavid@charter.net
FU U.S. Department of Energy [DE-AC05-00OR22725]; United States Government;
Department of Energy
FX This manuscript has been authored by UT-Battelle, LLC under Contract No.
DE-AC05-00OR22725 with the U.S. Department of Energy. The United States
Government retains and the publisher, by accepting the article for
publication, acknowledges that the United States Government retains a
non-exclusive, paid-up, irrevocable, world-wide license to publish or
reproduce the published form of this manuscript, or allow others to do
so, for United States Government purposes. The Department of Energy will
provide public access to these results of federally sponsored research
in accordance with the DOE Public Access Plan
(http://energy.gov/downloads/doe-public-access-plan).
NR 62
TC 0
Z9 0
U1 1
U2 1
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 1362-1718
EI 1743-2936
J9 SCI TECHNOL WELD JOI
JI Sci. Technol. Weld. Join.
PY 2017
VL 22
IS 3
BP 244
EP 256
DI 10.1080/13621718.2016.1222255
PG 13
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA EK6MD
UT WOS:000394037800009
ER
PT J
AU Hu, MZ
Engtrakul, C
Bischoff, BL
Jang, GG
Theiss, TJ
Davis, MF
AF Hu, Michael Z.
Engtrakul, Chaiwat
Bischoff, Brian L.
Jang, Gyoung G.
Theiss, Timothy J.
Davis, Mark F.
TI Superhydrophobic and superhydrophilic surface-enhanced separation
performance of porous inorganic membranes for biomass-to-biofuel
conversion applications
SO SEPARATION SCIENCE AND TECHNOLOGY
LA English
DT Article
DE Biofuel separations; inorganic membranes; porous membranes;
superhydrophilic; superhydrophobic
ID REVERSE-OSMOSIS MEMBRANES; FAST PYROLYSIS; AQUEOUS FRACTION; BIO-OIL;
WATER; PHENOLS; VAPORS; PHASE
AB A new class of porous membranes is introduced to provide unique separation mechanisms by surface interactions and capillary condensation. High-performance architectural surface selective (HiPAS) membranes were designed for high perm-selective flux and high-temperature tolerance for hot vapor processing and liquid processing. Due to surface-enhanced selectivity, larger-fluxes were achieved by utilizing larger pore sizes (similar to 8 nm for vapor phase and micron-sized pores for liquid phase separations). This article describes a membrane-based separation concept for biomass conversion pathways and demonstrates the initial data for selective permeation of toluene-water and toluene-phenol-water relevant to biofuel processing.
C1 [Hu, Michael Z.; Jang, Gyoung G.; Theiss, Timothy J.] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA.
[Engtrakul, Chaiwat] Natl Renewable Energy Lab, Chem & Nanosci Ctr, Golden, CO 80401 USA.
[Bischoff, Brian L.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN USA.
[Davis, Mark F.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO USA.
RP Hu, MZ (reprint author), Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA.; Engtrakul, C (reprint author), Natl Renewable Energy Lab, Chem & Nanosci Ctr, Golden, CO 80401 USA.
EM hum1@ornl.gov; chaiwat.engtrakul@nrel.gov
OI Bischoff, Brian/0000-0002-3021-7898
FU ORNL LDRD/SEED program from the Bioenergy Technology Office (BETO) of
the Department of Energy (DOE) [DE-AC05-00OR22725]; Oak Ridge National
Laboratory [DE-AC36-08-GO28308]; National Renewable Energy Laboratory
FX This work was initially supported by ORNL LDRD/SEED program with
follow-on funding from the Bioenergy Technology Office (BETO) of the
Department of Energy (DOE) under Contract No. DE-AC05-00OR22725 with Oak
Ridge National Laboratory and Contract No. DE-AC36-08-GO28308 with the
National Renewable Energy Laboratory.
NR 37
TC 0
Z9 0
U1 0
U2 0
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0149-6395
EI 1520-5754
J9 SEP SCI TECHNOL
JI Sep. Sci. Technol.
PY 2017
VL 52
IS 3
BP 528
EP 543
DI 10.1080/01496395.2016.1260144
PG 16
WC Chemistry, Multidisciplinary; Engineering, Chemical
SC Chemistry; Engineering
GA EM2SH
UT WOS:000395165400014
ER
PT J
AU Travesset, A
AF Travesset, A.
TI Topological structure prediction in binary nanoparticle superlattices
SO SOFT MATTER
LA English
DT Article
ID NANOCRYSTAL SUPERLATTICES; CRYSTAL-STRUCTURES; COATED COLLOIDS; DNA;
CRYSTALLIZATION; SIMULATIONS; EXCHANGE; MODEL; ACID
AB Systems of spherical nanoparticles with capping ligands have been shown to self-assemble into beautiful superlattices of fascinating structure and complexity. In this paper, I show that the spherical geometry of the nanoparticle imposes constraints on the nature of the topological defects associated with the capping ligand and that such topological defects control the structure and stability of the superlattices that can be assembled. All these considerations form the basis for the orbifold topological model (OTM) described in this paper. The model quantitatively predicts the structure of super-lattices where capping ligands are hydrocarbon chains in excellent agreement with experimental results, explains the appearance of low packing fraction lattices as equilibrium, why certain similar structures are more stable (bccAB(6) vs. CaB6,AuCu vs. CsCl, etc.) and many other experimental observations.
C1 [Travesset, A.] Iowa State Univ, Ames, IA 50011 USA.
[Travesset, A.] Ames Lab, Dept Phys & Astron, Ames, IA 50011 USA.
RP Travesset, A (reprint author), Iowa State Univ, Ames, IA 50011 USA.; Travesset, A (reprint author), Ames Lab, Dept Phys & Astron, Ames, IA 50011 USA.
EM trvsst@ameslab.gov
FU U.S. Department of Energy (DOE), Office of Science, Basic Energy
Sciences, Materials, Materials Science and Engineering Division; Iowa
State University [DE-AC02-07CH11358]
FX I am indebted to M. Boles for many clarifications of the experimental
results and existing literature of BNSLs. I also acknowledge interest
and discussions with C. Calero, N. Horst, O. Gang, S. Mallapragada, D.
Talapin and D. Vaknin. I want to thank T. Kennedy for many discussions
and encouragement during the course of this work. This work is supported
by the U.S. Department of Energy (DOE), Office of Science, Basic Energy
Sciences, Materials, Materials Science and Engineering Division. The
research was performed at the Ames Laboratory, which is operated for the
US DOE by Iowa State University under contract number DE-AC02-07CH11358.
NR 38
TC 2
Z9 2
U1 1
U2 1
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 2017
VL 13
IS 1
BP 147
EP 157
DI 10.1039/c6sm00713a
PG 11
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA EM5SV
UT WOS:000395374100015
ER
PT J
AU Johnson, A
Alvarez, J
Nash, KL
AF Johnson, Aaron
Alvarez, Joel
Nash, Kenneth L.
TI Interactions between Extractant Molecules: Organic-Phase Thermodynamics
of TALSPEAK-MME
SO SOLVENT EXTRACTION AND ION EXCHANGE
LA English
DT Article
DE TALSPEAK-MME; TALSPEAK; solvent extraction; thermodynamics; Cyanex-923;
HEH[EHP]
ID SEPARATING TRIVALENT LANTHANIDES; TRANSURANIC ELEMENTS; PROTONATION
CONSTANTS; SOLVENT-EXTRACTION; ACID EXTRACTANTS; NUCLEAR-FUEL;
F-ELEMENTS; EQUILIBRIA; OXIDE; PURIFICATION
AB To reduce the cost and complexity of separations for closed nuclear fuel cycles, solvent extraction processes based on combined solvating and cation exchange extractants are being considered. One such process, Trivalent Actinide Lanthanide Separations using Phosphorus Extractants and Aqueous Komplexes-Mixed Monofunctional Extractants (TALSPEAK-MME), that combines the neutral extractant Cyanex-923 and cation exchanging extractant 2-ethyl(hexyl)phosphonic acid mono-2-ethyl(hexyl) ester (HEH[EHP]) has shown considerable promise. However, little knowledge of the underlying chemistry of this process has been reported. In this report, P-31 NMR and FT-IR spectroscopies have been used to investigate organic-phase extractant interactions. A 1:1 adduct between Cyanex-923 and HEH[EHP] has been identified. The equilibrium constant describing the formation of this adduct (log K) has been determined to be between 2.04 and 2.21, signifying relatively weak interactions between the extractants. In parallel, it has been determined that the presence of this adduct does not change the nitric acid extraction mechanism observed by Cyanex-923; its presence merely reduces the free concentration of Cyanex-923 available to extract nitric acid thus slightly reducing the total acid partitioned to the organic phase. These findings were used to calculate an extractant speciation diagram for TALSPEAK-MME, the results of which were used to improve understanding of the metal ion extraction behavior observed in this system.
C1 [Johnson, Aaron; Alvarez, Joel; Nash, Kenneth L.] Washington State Univ, Dept Chem, POB 644630, Pullman, WA 99164 USA.
[Johnson, Aaron] Idaho Natl Lab, Global Secur & Int Safeguards, Idaho Falls, ID USA.
RP Nash, KL (reprint author), Washington State Univ, Dept Chem, POB 644630, Pullman, WA 99164 USA.
EM knash@wsu.edu
FU U.S. Department of Energy, Office of Nuclear Energy, through the Fuel
Cycle Research and Development Program, Sigma Team for Minor Actinide
Separations
FX This work was funded by the U.S. Department of Energy, Office of Nuclear
Energy, through the Fuel Cycle Research and Development Program, Sigma
Team for Minor Actinide Separations.
NR 32
TC 0
Z9 0
U1 2
U2 2
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0736-6299
EI 1532-2262
J9 SOLVENT EXTR ION EXC
JI Solvent Extr. Ion Exch.
PY 2017
VL 35
IS 1
BP 35
EP 48
DI 10.1080/07366299.2017.1279919
PG 14
WC Chemistry, Multidisciplinary
SC Chemistry
GA EM2QC
UT WOS:000395159700003
ER
PT J
AU Richards, JM
Mincher, BJ
AF Richards, Jason M.
Mincher, Bruce J.
TI Selective Partitioning of Ruthenium from Nitric Acid Media
SO SOLVENT EXTRACTION AND ION EXCHANGE
LA English
DT Article
DE Americium; fuel cycle; oxidation; partitioning; ruthenium; solvent
extraction
ID SOLVENT-EXTRACTION; TETROXIDE; CHEMISTRY; BEHAVIOR; AM(VI)
AB Ruthenium removal from PUREX raffinate solutions is imperative for the application of some advanced actinide partitioning technologies, particularly partitioning of hexavalent americium. Ruthenium interferes with the oxidation of americium and suppresses its extraction. Selective extraction of ruthenium from these solutions is complicated by the existence of multiple ruthenium species in nitric acid. In this work, ruthenium was selectively extracted from nitric acid media through oxidation to ruthenium tetroxide and absorption into polymer beads. Extraction of ruthenium tetroxide into a variety of organic solvents was also explored. The use of UV-Visible spectroscopy to quantify extraction of ruthenium tetroxide was demonstrated. This method for extraction of ruthenium from nitric acid was applied to PUREX raffinate simulant solution and was found to simultaneously remove ruthenium (through oxidation and absorption) and zirconium (through precipitation). This method not only removes ruthenium and zirconium from solution, but also separates ruthenium and zirconium from each other.
C1 [Richards, Jason M.] Univ Nevada, Radiochem Program, Las Vegas, NV 89154 USA.
[Mincher, Bruce J.] Idaho Natl Lab, Aqueous Separat & Radiochem Dept, POB 1625, Idaho Falls, ID 83415 USA.
RP Mincher, BJ (reprint author), Idaho Natl Lab, Aqueous Separat & Radiochem Dept, POB 1625, Idaho Falls, ID 83415 USA.
EM bruce.mincher@inl.gov
FU U.S. Department of Energy; DOE Idaho Operations Office
[DE-AC07-05ID14517]
FX BJM acknowledges support from the U.S. Department of Energy, Assistant
Secretary for Nuclear Energy under the Fuel Cycle Research and
Development Sigma Team for Advanced Actinide Recycle (STAAR) program;
DOE Idaho Operations Office Contract DE-AC07-05ID14517.
NR 18
TC 0
Z9 0
U1 1
U2 1
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0736-6299
EI 1532-2262
J9 SOLVENT EXTR ION EXC
JI Solvent Extr. Ion Exch.
PY 2017
VL 35
IS 1
BP 49
EP 60
DI 10.1080/07366299.2017.1279923
PG 12
WC Chemistry, Multidisciplinary
SC Chemistry
GA EM2QC
UT WOS:000395159700004
ER
PT J
AU Drozdov, AY
Shprits, YY
Aseev, NA
Kellerman, AC
Reeves, GD
AF Drozdov, A. Y.
Shprits, Y. Y.
Aseev, N. A.
Kellerman, A. C.
Reeves, G. D.
TI Dependence of radiation belt simulations to assumed radial diffusion
rates tested for two empirical models of radial transport
SO SPACE WEATHER-THE INTERNATIONAL JOURNAL OF RESEARCH AND APPLICATIONS
LA English
DT Article
ID RELATIVISTIC ELECTRONS; MAGNETIC STORM; GEOMAGNETIC STORMS; DYNAMICS;
LOSSES; ACCELERATION; ORBIT
AB Radial diffusion is one of the dominant physical mechanisms that drives acceleration and loss of the radiation belt electrons, which makes it very important for nowcasting and forecasting space weather models. We investigate the sensitivity of the two parameterizations of the radial diffusion of Brautigam and Albert (2000) and Ozeke et al. (2014) on long-term radiation belt modeling using the Versatile Electron Radiation Belt (VERB). Following Brautigam and Albert (2000) and Ozeke et al. (2014), we first perform 1-D radial diffusion simulations. Comparison of the simulation results with observations shows that the difference between simulations with either radial diffusion parameterization is small. To take into account effects of local acceleration and loss, we perform 3-D simulations, including pitch angle, energy, and mixed diffusion. We found that the results of 3-D simulations are even less sensitive to the choice of parameterization of radial diffusion rates than the results of 1-D simulations at various energies (from 0.59 to 1.80MeV). This result demonstrates that the inclusion of local acceleration and pitch angle diffusion can provide a negative feedback effect, such that the result is largely indistinguishable simulations conducted with different radial diffusion parameterizations. We also perform a number of sensitivity tests by multiplying radial diffusion rates by constant factors and show that such an approach leads to unrealistic predictions of radiation belt dynamics.
C1 [Drozdov, A. Y.; Shprits, Y. Y.; Aseev, N. A.; Kellerman, A. C.] Univ Calif Los Angeles, Dept Earth Planetary & Space Sci, Los Angeles, CA 90024 USA.
[Shprits, Y. Y.; Aseev, N. A.] GFZ German Res Ctr Geosci, Potsdam, Germany.
[Shprits, Y. Y.; Aseev, N. A.] Univ Potsdam, Inst Phys & Astron, Potsdam, Germany.
[Reeves, G. D.] Los Alamos Natl Lab, Space Sci & Applicat Grp, Los Alamos, NM USA.
RP Drozdov, AY (reprint author), Univ Calif Los Angeles, Dept Earth Planetary & Space Sci, Los Angeles, CA 90024 USA.
EM adrozdov@ucla.edu
OI Kellerman, Adam/0000-0002-2315-936X; Reeves,
Geoffrey/0000-0002-7985-8098
FU National Science Foundation; NASA award [NNX13E34G]; NSF [GEM
AGS-1203747]; UC Office of the President, UC Lab Fees Research Program
[12-LR-235337]; Horizon award [637302]
FX The authors used geomagnetic indices provided by OMNIWeb
(http://omniweb.gsfc.nasa.gov/form/dx1.html) and are grateful to the
RBSP-ECT team for the provision of Van Allen Probes observations
(http://rbsp-ect.lanl.gov/). We would like to thank Dmitry Subbotin,
Ksenia Orlova, and Hui Zhu for the useful discussion of the simulation
details. We would like to acknowledge high-performance computing support
from Yellowstone (ark:/85065/d7wd3xhc) provided by UCAR's Computational
and Information System Laboratory, sponsored by the National Science
Foundation and other agencies. This research was supported by NASA award
NNX13E34G and NSF GEM AGS-1203747 and received funding support from the
UC Office of the President, UC Lab Fees Research Program grant
12-LR-235337, and Horizon 2020 award 637302.
NR 52
TC 1
Z9 1
U1 0
U2 0
PU AMER GEOPHYSICAL UNION
PI WASHINGTON
PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA
SN 1542-7390
J9 SPACE WEATHER
JI Space Weather
PD JAN
PY 2017
VL 15
IS 1
BP 150
EP 162
DI 10.1002/2016SW001426
PG 13
WC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology &
Atmospheric Sciences
SC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology &
Atmospheric Sciences
GA EL4GT
UT WOS:000394580400013
ER
PT J
AU Del Moral, P
Jasra, A
Law, KJH
AF Del Moral, Pierre
Jasra, Ajay
Law, Kody J. H.
TI Multilevel sequential Monte Carlo: Mean square error bounds under
verifiable conditions
SO STOCHASTIC ANALYSIS AND APPLICATIONS
LA English
DT Article
DE Multilevel Monte Carlo; sequential Monte Carlo; drift conditions
ID FEYNMAN-KAC FORMULAS; SAMPLERS
AB In this article, we consider the multilevel sequential Monte Carlo (MLSMC) method of Beskos et al. (Stoch. Proc. Appl. [to appear]). This is a technique designed to approximate expectations w.r.t. probability laws associated to a discretization. For instance, in the context of inverse problems, where one discretizes the solution of a partial differential equation. The MLSMC approach is especially useful when independent, coupled sampling is not possible. Beskos et al. show that for MLSMC the computational effort to achieve a given error, can be less than independent sampling. In this article we significantly weaken the assumptions of Beskos et al., extending the proofs to non-compact state-spaces. The assumptions are based upon multiplicative drift conditions as in Kontoyiannis and Meyn (Electron. J. Probab. 10 [2005]: 61-123). The assumptions are verified for an example.
C1 [Del Moral, Pierre] Univ Bordeaux 1, Ctr INRIA Bordeaux Sud Ouest, Bordeaux, France.
[Del Moral, Pierre] Univ Bordeaux 1, Inst Math Bordeaux, Bordeaux, France.
[Jasra, Ajay] Natl Univ Singapore, Dept Stat & Appl Probabil, Singapore 117546, Singapore.
[Law, Kody J. H.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN USA.
RP Jasra, A (reprint author), Natl Univ Singapore, Dept Stat & Appl Probabil, Singapore 117546, Singapore.
EM staja@nus.edu.sg
FU Ministry of Education AcRF [R-155-000-161-112]
FX A. Jasra was supported by Ministry of Education AcRF tier 2 grant,
R-155-000-161-112.
NR 14
TC 0
Z9 0
U1 0
U2 0
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0736-2994
EI 1532-9356
J9 STOCH ANAL APPL
JI Stoch. Anal. Appl.
PY 2017
VL 35
IS 3
BP 478
EP 498
DI 10.1080/07362994.2016.1272421
PG 21
WC Mathematics, Applied; Statistics & Probability
SC Mathematics
GA EL2LG
UT WOS:000394450600006
ER
PT J
AU Bird, DC
Freund, K
Fortinsky, RH
Staplin, L
West, BA
Bergen, G
Downs, J
AF Bird, Donna C.
Freund, Katherine
Fortinsky, Richard H.
Staplin, Loren
West, Bethany A.
Bergen, Gwen
Downs, Jonathan
TI Driving self-regulation and ride service utilization in a
multicommunity, multistate sample of US older adults
SO TRAFFIC INJURY PREVENTION
LA English
DT Article
DE Driving; aging; older adult; motor vehicle; mobility; self-regulation;
older driver; senior transportation
ID FORMER DRIVERS; CESSATION; MOBILITY; ATTITUDES; PERSPECTIVES; PATTERNS;
GENDER
AB Objectives: This study examined a multicommunity alternative transportation program available 24 hours a day, 7 days a week, for any purpose, offering door-through-door service in private automobiles to members who either do not drive or are transitioning away from driving. Specific aims were to describe the characteristics of members by driving status and ride service usage of these members.
Methods: Data came from administrative records maintained by a nonprofit ride service program and include 2,661 individuals aged 65+ residing in 14 states who joined the program between April 1, 2010, and November 8, 2013. Latent class analysis was used to group current drivers into 3 classes of driving status of low, medium, and high self-regulation, based on their self-reported avoidance of certain driving situations and weekly driving frequency. Demographics and ride service use rate for rides taken through March 31, 2014, by type of ride (e.g., medical, social, etc.) were calculated for nondrivers and drivers in each driving status class.
Results: The majority of ride service users were female (77%) and aged 65-74 years (82%). The primary method of getting around when enrolling for the transportation service was by riding with a friend or family member (60%). Among the 67,883 rides given, nondrivers took the majority (69%) of rides. Medical rides were the most common, accounting for 40% of all rides.
Conclusions: Reported ride usage suggests that older adults are willing to use such ride services for a variety of trips when these services are not limited to specific types (e.g., medical). Further research can help tailor strategies to encourage both nondrivers and drivers to make better use of alternative transportation that meets the special needs of older people.
C1 [Bird, Donna C.; Freund, Katherine] ITNAmerica, Westbrook, ME USA.
[Fortinsky, Richard H.] Univ Connecticut, Sch Med, Farmington, CT USA.
[Staplin, Loren] TransAnalytics LLC, Quakertown, PA USA.
[West, Bethany A.; Bergen, Gwen; Downs, Jonathan] CDC, Div Unintent Injury Prevent, Atlanta, GA 30333 USA.
[Downs, Jonathan] ORAU, Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA.
RP Bergen, G (reprint author), 4770 Buford Highway,MS F62, Atlanta, GA 30341 USA.
EM gjb.@cdc.gov
FU Centers for Disease Control and Prevention, Division of Unintentional
Injury Prevention [200-2013-M-56656]; U.S. Department of Energy; Centers
for Disease Control and Prevention
FX This project received funding from the Centers for Disease Control and
Prevention, Division of Unintentional Injury Prevention, under contract
200-2013-M-56656. The findings and conclusions in this article are those
of the authors and do not necessarily represent the official position of
the CDC. This work was supported in part by an appointment to the
Internship/Research Participation Program at the National Center for
Injury Prevention and Control, Centers for Disease Control and
Prevention, administered by the Oak Ridge Institute for Science and
Education through an interagency agreement between the U.S. Department
of Energy and the Centers for Disease Control and Prevention.
NR 26
TC 0
Z9 0
U1 0
U2 0
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 1538-9588
EI 1538-957X
J9 TRAFFIC INJ PREV
JI Traffic Inj. Prev.
PY 2017
VL 18
IS 3
BP 267
EP 272
DI 10.1080/15389588.2016.1198008
PG 6
WC Public, Environmental & Occupational Health; Transportation
SC Public, Environmental & Occupational Health; Transportation
GA EL6GQ
UT WOS:000394718800007
PM 27574778
ER
PT J
AU Trinchero, P
Molinero, J
Deissmann, G
Svensson, U
Gylling, B
Ebrahimi, H
Hammond, G
Bosbach, D
Puigdomenech, I
AF Trinchero, Paolo
Molinero, Jorge
Deissmann, Guido
Svensson, Urban
Gylling, Bjoern
Ebrahimi, Hedieh
Hammond, Glenn
Bosbach, Dirk
Puigdomenech, Ignasi
TI Implications of Grain-Scale Mineralogical Heterogeneity for Radionuclide
Transport in Fractured Media
SO TRANSPORT IN POROUS MEDIA
LA English
DT Article
DE Grain-scale mineralogical heterogeneity; Radionuclide transport;
Microcontinuum model; High-performance computing (HPC)
ID DIRECT NUMERICAL-SIMULATION; CONTINUUM REPRESENTATION; DIFFUSION;
NETWORKS; MATRIX; CESIUM; FLOW
AB The geological disposal of nuclear waste is based on the multi-barrier concept, comprising various engineered and natural barriers, to confine the radioactive waste and isolate it from the biosphere. Some of the planned repositories for high-level nuclear waste will be hosted in fractured crystalline rock formations. The potential of these formations to act as natural transport barriers is related to two coupled processes: diffusion into the rock matrix and sorption onto the mineral surfaces available in the rock matrix. Different in situ and laboratory experiments have pointed out the ubiquitous heterogeneous nature of the rock matrix: mineral surfaces and pore space are distributed in complex microstructures and their distribution is far from being homogeneous (as typically assumed by Darcy-scale coarse reactive transport models). In this work, we use a synthetically generated fracture-matrix system to assess the implications of grain-scale physical and mineralogical heterogeneity on cesium transport and retention. The resulting grain-scale reactive transport model is solved using high-performance computing technologies, and the results are compared with those derived from two alternative models, denoted as upscaled models, where mineral abundance is averaged over the matrix volume. In the grain-scale model, the penetration of cesium into the matrix is faster and the penetration front is uneven and finger-shaped. The analysis of the cesium breakthrough curves computed at two different points in the fracture shows that the upscaled models provide later first-arrival time estimates compared to the grain-scale model. The breakthrough curves computed with the three models converge at late times. These results suggest that spatially averaged upscaled parameters of sorption site distribution can be used to predict the late-time behavior of breakthrough curves but could be inadequate to simulate the early behavior.
C1 [Trinchero, Paolo; Molinero, Jorge; Ebrahimi, Hedieh] AMPHOS 21 Consulting SL, Passeig Garcia & Faria 49-51, Barcelona 08019, Spain.
[Deissmann, Guido; Bosbach, Dirk] Forschungszentrum Julich, Inst Energy & Climate Res Nucl Waste Management &, D-52425 Julich, Germany.
[Deissmann, Guido; Bosbach, Dirk] Forschungszentrum Julich, JARA HPC, D-52425 Julich, Germany.
[Svensson, Urban] Comp Aided Fluid Engn AB, Frankes Vag 3, S-37165 Lyckeby, Sweden.
[Gylling, Bjoern] Sandia Natl Labs, Appl Syst Anal & Res, POB 5800, Albuquerque, NM 87185 USA.
[Hammond, Glenn; Puigdomenech, Ignasi] Swedish Nucl Fuel & Waste Management Co, Box 250, S-10124 Stockholm, Sweden.
RP Trinchero, P (reprint author), AMPHOS 21 Consulting SL, Passeig Garcia & Faria 49-51, Barcelona 08019, Spain.
EM paolo.trinchero@amphos21.com
OI Trinchero, Paolo/0000-0003-1351-2788
FU Swedish Nuclear Fuel and Waste Management Company (SKB)
FX PT, JM, US and HE thank the Swedish Nuclear Fuel and Waste Management
Company (SKB) for the financial support. The authors also thank the
PFLOTRAN development group for their help during the project. The
authors gratefully acknowledge the computing time granted by the JARAHPC
Vergabegremium and provided on the JARA-HPC Partition part of the
supercomputer JUQUEEN at Forschungszentrum Julich. This paper has
greatly benefited from helpful comments by Peter Lichtner and four
anonymous reviewers.
NR 34
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0169-3913
EI 1573-1634
J9 TRANSPORT POROUS MED
JI Transp. Porous Media
PD JAN
PY 2017
VL 116
IS 1
BP 73
EP 90
DI 10.1007/s11242-016-0765-0
PG 18
WC Engineering, Chemical
SC Engineering
GA EK8IO
UT WOS:000394167300004
ER
PT J
AU Cihan, A
Birkholzer, J
Trevisan, L
Gonzalez-Nicolas, A
Illangasekare, T
AF Cihan, Abdullah
Birkholzer, Jens
Trevisan, Luca
Gonzalez-Nicolas, Ana
Illangasekare, Tissa
TI Investigation of representing hysteresis in macroscopic models of
two-phase flow in porous media using intermediate scale experimental
data
SO WATER RESOURCES RESEARCH
LA English
DT Article
DE hysteresis; capillary trapping; two-phase flow
ID RELATIVE PERMEABILITY HYSTERESIS; SOIL HYDRAULIC-PROPERTIES;
CAPILLARY-PRESSURE; SUPERCRITICAL CO2; SIZE DISTRIBUTION; SURROGATE
FLUIDS; CARBON-DIOXIDE; SATURATION; STORAGE; SEQUESTRATION
AB Incorporating hysteresis into models is important to accurately capture the two phase flow behavior when porous media systems undergo cycles of drainage and imbibition such as in the cases of injection and post-injection redistribution of CO2 during geological CO2 storage (GCS). In the traditional model of two-phase flow, existing constitutive models that parameterize the hysteresis associated with these processes are generally based on the empirical relationships. This manuscript presents development and testing of mathematical hysteretic capillary pressuresaturationrelative permeability models with the objective of more accurately representing the redistribution of the fluids after injection. The constitutive models are developed by relating macroscopic variables to basic physics of two-phase capillary displacements at pore-scale and void space distribution properties. The modeling approach with the developed constitutive models with and without hysteresis as input is tested against some intermediate-scale flow cell experiments to test the ability of the models to represent movement and capillary trapping of immiscible fluids under macroscopically homogeneous and heterogeneous conditions. The hysteretic two-phase flow model predicted the overall plume migration and distribution during and post injection reasonably well and represented the postinjection behavior of the plume more accurately than the nonhysteretic models. Based on the results in this study, neglecting hysteresis in the constitutive models of the traditional two-phase flow theory can seriously overpredict or underpredict the injected fluid distribution during post-injection under both homogeneous and heterogeneous conditions, depending on the selected value of the residual saturation in the nonhysteretic models.
C1 [Cihan, Abdullah; Birkholzer, Jens; Gonzalez-Nicolas, Ana] Lawrence Berkeley Natl Lab, Energy Geosci Div, Berkeley, CA 94720 USA.
[Trevisan, Luca; Illangasekare, Tissa] Colorado Sch Mines, Ctr Expt Study Subsurface Environm Proc CESEP, Golden, CO 80401 USA.
[Trevisan, Luca] Univ Texas Austin, Bur Econ Geol, Jackson Sch Geosci, Austin, TX USA.
RP Cihan, A (reprint author), Lawrence Berkeley Natl Lab, Energy Geosci Div, Berkeley, CA 94720 USA.
EM acihan@lbl.gov
RI Birkholzer, Jens/C-6783-2011; Cihan, Abdullah/D-3704-2015;
OI Birkholzer, Jens/0000-0002-7989-1912; Gonzalez-Nicolas Alvarez,
Ana/0000-0003-2869-8255
FU Assistant Secretary for Fossil Energy, National Energy Technology
Laboratory, National Risk Assessment Partnership, of the US Department
of Energy at Lawrence Berkeley National Laboratory, under U.S.
Department of Energy [DE-AC02-05CH11231]; Assistant Secretary for Fossil
Energy, Office of Sequestration, Hydrogen, and Clean Coal Fuels, through
the National Energy Technology Laboratory, under the U.S. Department of
Energy [FE0004630]
FX The authors wish to thank three anonymous reviewers for their careful
review of the manuscript and the suggestion of improvements. The authors
also wish to thank Hiroko Mori for kindly providing the data for the
capillary pressure - saturation curves of the accusands. The
experimental data were provided in the figures, and the source code to
compute the hysteretic constitutive model relationships can be obtained
from the authors upon request (acihan@lbl.gov). This work was funded by
the Assistant Secretary for Fossil Energy, National Energy Technology
Laboratory, National Risk Assessment Partnership, of the US Department
of Energy at Lawrence Berkeley National Laboratory, under U.S.
Department of Energy Contract DE-AC02-05CH11231. Supplementary funding
was provided by the Assistant Secretary for Fossil Energy, Office of
Sequestration, Hydrogen, and Clean Coal Fuels, through the National
Energy Technology Laboratory, under the U.S. Department of Energy
contract FE0004630.
NR 48
TC 2
Z9 2
U1 2
U2 2
PU AMER GEOPHYSICAL UNION
PI WASHINGTON
PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA
SN 0043-1397
EI 1944-7973
J9 WATER RESOUR RES
JI Water Resour. Res.
PD JAN
PY 2017
VL 53
IS 1
BP 199
EP 221
DI 10.1002/2016WR019449
PG 23
WC Environmental Sciences; Limnology; Water Resources
SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water
Resources
GA EL9AJ
UT WOS:000394911200012
ER
PT J
AU Trevisan, L
Pini, R
Cihan, A
Birkholzer, JT
Zhou, QL
Gonzalez-Nicolas, A
Illangasekare, TH
AF Trevisan, Luca
Pini, Ronny
Cihan, Abdullah
Birkholzer, Jens T.
Zhou, Quanlin
Gonzalez-Nicolas, Ana
Illangasekare, Tissa H.
TI Imaging and quantification of spreading and trapping of carbon dioxide
in saline aquifers using meter-scale laboratory experiments
SO WATER RESOURCES RESEARCH
LA English
DT Article
DE surrogate fluids; sandbox experiments; migration and trapping; injection
schemes; geological carbon storage; heterogeneity
ID HETEROGENEOUS POROUS-MEDIA; CO2 STORAGE; INTERMEDIATE-SCALE;
SUPERCRITICAL CO2; FLUID MIGRATION; WELL PLACEMENT; FLOW; INJECTION;
SIMULATION; RESERVOIRS
AB The role of capillary forces during buoyant migration of CO2 is critical toward plume immobilization within the postinjection phase of a geological carbon sequestration operation. However, the inherent heterogeneity of the subsurface makes it very challenging to evaluate the effects of capillary forces on the storage capacity of these formations and to assess in situ plume evolution. To overcome the lack of accurate and continuous observations at the field scale and to mimic vertical migration and entrapment of realistic CO2 plumes in the presence of a background hydraulic gradient, we conducted two unique long-term experiments in a 2.44 m x 0.5 m tank. X-ray attenuation allowed measuring the evolution of a CO2-surrogate fluid saturation, thus providing direct insight into capillarity-dominated and buoyancy-dominated flow processes occurring under successive drainage and imbibition conditions. The comparison of saturation distributions between two experimental campaigns suggests that layered-type heterogeneity plays an important role on nonwetting phase (NWP) migration and trapping, because it leads to (i) longer displacement times (3.6 months versus 24 days) to reach stable trapping conditions, (ii) limited vertical migration of the plume (with center of mass at 39% versus 55% of aquifer thickness), and (iii) immobilization of a larger fraction of injected NWP mass (67.2% versus 51.5% of injected volume) as compared to the homogenous scenario. While these observations confirm once more the role of geological heterogeneity in controlling buoyant flows in the subsurface, they also highlight the importance of characterizing it at scales that are below seismic resolution (1-10 m).
C1 [Trevisan, Luca; Gonzalez-Nicolas, Ana; Illangasekare, Tissa H.] Colorado Sch Mines, Dept Civil & Environm Engn, Ctr Expt Study Subsurface Environm Proc, Golden, CO 80401 USA.
[Trevisan, Luca] Univ Texas Austin, Gulf Coast Carbon Ctr, Bur Econ Geol, Jackson Sch Geosci, Austin, TX 78712 USA.
[Pini, Ronny] Colorado Sch Mines, Dept Petr Engn, Golden, CO 80401 USA.
[Pini, Ronny] Imperial Coll, Dept Chem Engn, London, England.
[Cihan, Abdullah; Birkholzer, Jens T.; Zhou, Quanlin; Gonzalez-Nicolas, Ana] Univ Calif Berkeley, Energy Geosci Div, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Trevisan, L (reprint author), Colorado Sch Mines, Dept Civil & Environm Engn, Ctr Expt Study Subsurface Environm Proc, Golden, CO 80401 USA.; Trevisan, L (reprint author), Univ Texas Austin, Gulf Coast Carbon Ctr, Bur Econ Geol, Jackson Sch Geosci, Austin, TX 78712 USA.
EM luca.trevisan@gmail.com
RI Zhou, Quanlin/B-2455-2009; Birkholzer, Jens/C-6783-2011; Cihan,
Abdullah/D-3704-2015;
OI Zhou, Quanlin/0000-0001-6780-7536; Birkholzer, Jens/0000-0002-7989-1912;
Gonzalez-Nicolas Alvarez, Ana/0000-0003-2869-8255
FU U.S. Department of Energy through the National Energy Technology
Laboratory [DE-FE0004630]; National Science Foundation [EAR-1045282];
Bureau of Economic Geology
FX Funding for this research is provided by the U.S. Department of Energy
through the National Energy Technology Laboratory's CO2
sequestration R&D Program under grant DE-FE0004630 and National Science
Foundation award EAR-1045282 through the Hydrologic Sciences Program.
Supporting information is included as four Figures in an supporting
information file, one Excel spreadsheet containing data corresponding to
Figures 4-10, and two Excel spreadsheets (one for each scenario) with
saturation distributions for each time step; any additional data may be
obtained from the corresponding author (email: luca.trevisan@gmail.com).
The authors wish to thank three anonymous reviewers for their careful
review of the manuscript and the suggestion of improvements. LT thanks
Tip Meckel and Susan Hovorka for insightful discussions and acknowledges
additional funding from the Bureau of Economic Geology.
NR 77
TC 1
Z9 1
U1 2
U2 2
PU AMER GEOPHYSICAL UNION
PI WASHINGTON
PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA
SN 0043-1397
EI 1944-7973
J9 WATER RESOUR RES
JI Water Resour. Res.
PD JAN
PY 2017
VL 53
IS 1
BP 485
EP 502
DI 10.1002/2016WR019749
PG 18
WC Environmental Sciences; Limnology; Water Resources
SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water
Resources
GA EL9AJ
UT WOS:000394911200029
ER
PT J
AU Xu, ZX
Hu, BX
AF Xu, Zexuan
Hu, Bill X.
TI Development of a discrete-continuum VDFST-CFP numerical model for
simulating seawater intrusion to a coastal karst aquifer with a conduit
system
SO WATER RESOURCES RESEARCH
LA English
DT Article
DE discrete-continuum numerical model; variable-density flow and salt
transport; coastal karst aquifer; seawater intrusion; nonlaminar conduit
flow
ID SEA-LEVEL RISE; GROUNDWATER-FLOW; YUCATAN PENINSULA; MODFLOW-CFP; WATER;
TRANSPORT; CONTAMINATION; SPRINGS; MATRIX; MEXICO
AB A hybrid discrete-continuum numerical model, Variable-Density Flow and Solute TransportConduit Flow Process (VDFST-CFP), is developed to simulate seawater intrusion to a coastal karst aquifer with a conduit network. The Darcy-Weisbach equation is applied to simulate the nonlaminar groundwater flow in the conduit system that is conceptualized as pipes, while the Darcy equation is used for laminar groundwater flow in the continuum porous medium. Density-dependent groundwater flow with appropriate additional density terms in the conduit is analytically derived. The flow and transport equations are coupled, and numerically solved by the finite difference method with an implicit iteration procedure. Two synthetic benchmarks are developed to compare the VDFST-CFP model results with other numerical models, such as the variable-density SEAWAT, constant-density continuum MODFLOW/MT3DMS, and constant-density discrete-continuum CFPv2/UMT3D models. The VDFST-CFP model compares reasonably well with the other model results in both conduit and porous medium domains, and well describes water and salt exchange between the two systems. Under turbulent flow conditions within the conduit, the Darcy-Weisbach equation calculates the flow rate more accurately without overestimation by the Darcy equation. Sensitivity analysis indicates that conduit diameter, friction factor, matrix hydraulic conductivity, and effective medium porosity are important parameters in the VDFST-CFP model. The pros and cons of the VDFST-CFP model are discussed, including the model assumptions and simplifications, limitations of the discrete-continuum modeling method, and the convergence criteria. In general, the newly developed VDFST-CFP model provides a new numerical modeling method for simulating seawater intrusion in a coastal karst aquifer with conduits.
C1 [Xu, Zexuan; Hu, Bill X.] Florida State Univ, Dept Earth Ocean & Atmospher Sci, Tallahassee, FL 32306 USA.
[Xu, Zexuan] Lawrence Berkeley Natl Lab, Climate & Ecosyst Sci Div, Berkeley, CA USA.
[Hu, Bill X.] Jinan Univ, Inst Groundwater & Earth Sci, Guangzhou, Guangdong, Peoples R China.
RP Hu, BX (reprint author), Florida State Univ, Dept Earth Ocean & Atmospher Sci, Tallahassee, FL 32306 USA.; Hu, BX (reprint author), Jinan Univ, Inst Groundwater & Earth Sci, Guangzhou, Guangdong, Peoples R China.
EM bill.x.hu@gmail.com
FU National Natural Science Foundation of China (NSFC) [41530316,
91125024]; National Key Research and Development Program of China
[2016YFC0402805]; Lawrence Berkeley National Laboratory LDRD [103912]
FX The authors would like to thank Barclay Shoemaker at USGS Florida Water
Science Center, Thomas Reimann at TU Dresden and Weixing Guo at
Schlumberger Water Services for providing helpful insights and comments
during the numerical model development. Marilyn Saarni at Lawrence
Berkeley National Laboratory helped to polish the manuscript and
provided many revision suggestions in English editing. Eve Kuniansky,
two anonymous reviewers and WRR editors provide important reviews for
this paper. This project is partially funded by National Natural Science
Foundation of China (NSFC) (grant 41530316, 91125024), the National Key
Research and Development Program of China (grant 2016YFC0402805), and
Lawrence Berkeley National Laboratory LDRD project 103912. The VDFST-CFP
source codes and model files can be obtained by contacting the authors:
Zexuan Xu (xuzexuan@gmail.com) or Bill Hu (bill.x.hu@gmail.com).
NR 78
TC 1
Z9 1
U1 2
U2 2
PU AMER GEOPHYSICAL UNION
PI WASHINGTON
PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA
SN 0043-1397
EI 1944-7973
J9 WATER RESOUR RES
JI Water Resour. Res.
PD JAN
PY 2017
VL 53
IS 1
BP 688
EP 711
DI 10.1002/2016WR018758
PG 24
WC Environmental Sciences; Limnology; Water Resources
SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water
Resources
GA EL9AJ
UT WOS:000394911200041
ER
PT J
AU Kollet, S
Sulis, M
Maxwell, RM
Paniconi, C
Putti, M
Bertoldi, G
Coon, ET
Cordano, E
Endrizzi, S
Kikinzon, E
Mouche, E
Mugler, C
Park, YJ
Refsgaard, JC
Stisen, S
Sudicky, E
AF Kollet, Stefan
Sulis, Mauro
Maxwell, Reed M.
Paniconi, Claudio
Putti, Mario
Bertoldi, Giacomo
Coon, Ethan T.
Cordano, Emanuele
Endrizzi, Stefano
Kikinzon, Evgeny
Mouche, Emmanuel
Mugler, Claude
Park, Young-Jin
Refsgaard, Jens C.
Stisen, Simon
Sudicky, Edward
TI The integrated hydrologic model intercomparison project, IH-MIP2: A
second set of benchmark results to diagnose integrated hydrology and
feedbacks
SO WATER RESOURCES RESEARCH
LA English
DT Article
DE integrated models; benchmarks; intercomparison
ID 1ST-ORDER EXCHANGE COEFFICIENT; SURFACE-SUBSURFACE MODEL; LAND-SURFACE;
OVERLAND-FLOW; SURFACE/SUBSURFACE FLOW; SOIL-MOISTURE; LARGE-SCALE;
GROUNDWATER; WATER; ENERGY
AB Emphasizing the physical intricacies of integrated hydrology and feedbacks in simulating connected, variably saturated groundwater-surface water systems, the Integrated Hydrologic Model Intercomparison Project initiated a second phase (IH-MIP2), increasing the complexity of the benchmarks of the first phase. The models that took part in the intercomparison were ATS, Cast3M, CATHY, GEOtop, HydroGeoSphere, MIKE-SHE, and ParFlow. IH-MIP2 benchmarks included a tilted v-catchment with 3-D subsurface; a superslab case expanding the slab case of the first phase with an additional horizontal subsurface heterogeneity; and the Borden field rainfall-runoff experiment. The analyses encompassed time series of saturated, unsaturated, and ponded storages, as well as discharge. Vertical cross sections and profiles were also inspected in the superslab and Borden benchmarks. An analysis of agreement was performed including systematic and unsystematic deviations between the different models. Results show generally good agreement between the different models, which lends confidence in the fundamental physical and numerical implementation of the governing equations in the different models. Differences can be attributed to the varying level of detail in the mathematical and numerical representation or in the parameterization of physical processes, in particular with regard to ponded storage and friction slope in the calculation of overland flow. These differences may become important for specific applications such as detailed inundation modeling or when strong inhomogeneities are present in the simulation domain.
C1 [Kollet, Stefan] Forschungszentrum Julich, Agrosphere Inst, Julich, Germany.
[Kollet, Stefan] Geoverbund ABC J, HPSC TerrSys, Ctr High Performance Sci Comp Terr Syst, Julich, Germany.
[Sulis, Mauro] Univ Bonn, Inst Meteorol, Bonn, Germany.
[Maxwell, Reed M.] Colorado Sch Mines, Dept Geol & Geol Engn, Mines, CO USA.
[Paniconi, Claudio] Univ Quebec, Inst Natl Rech Sci, Ctr Eau Terre Environm, Quebec City, PQ, Canada.
[Putti, Mario] Univ Padua, Dept Math, Padua, Italy.
[Bertoldi, Giacomo; Cordano, Emanuele] European Acad Bolzano, Inst Alpine Environm, EURAC, Bolzano, Italy.
[Coon, Ethan T.; Kikinzon, Evgeny] Los Alamos Natl Lab, Computat Earth Sci, Los Alamos, NM USA.
[Cordano, Emanuele] Rendena100, Engn & Consultancy Sole Proprietorship, Tione Di Trento, Italy.
[Endrizzi, Stefano] Univ Zurich, Dept Geog, Zurich, Switzerland.
[Mouche, Emmanuel; Mugler, Claude] CEA CNRS UVSQ, Lab Sci Climat & Environm, Paris, France.
[Park, Young-Jin] Aquanty Inc, Waterloo, ON, Canada.
[Refsgaard, Jens C.; Stisen, Simon] Geol Survey Denmark & Greenland, Dept Hydrol, Copenhagen, Denmark.
[Sudicky, Edward] Univ Waterloo, Dept Earth & Environm, Waterloo, ON, Canada.
[Sudicky, Edward] Aquanty Inc, Waterloo, ON, Canada.
RP Kollet, S (reprint author), Forschungszentrum Julich, Agrosphere Inst, Julich, Germany.
EM s.kollet@fz-juelich.de
FU German Research Foundation; Hydrologic Sciences Division, U.S. National
Science Foundation [EAR 1126761]; Geoverbund ABC/J; Monalisa fund of the
Province of Bolzano (Italy); [SFB/TR32]
FX We gratefully acknowledge the financial support of the IH-MIP2 workshop
in Bonn in June 2013 by the German Research Foundation and the
Hydrologic Sciences Division, under grant EAR 1126761, U.S. National
Science Foundation; the first hydrology workshop with cofunding from
both institutions to our knowledge. Additional sponsorship by the
SFB/TR32, the Geoverbund ABC/J, and the Monalisa fund of the Province of
Bolzano (Italy) is also gratefully acknowledged. We wish to thank M.
Dall'Amico for help in performing the GEOtop simulations and the three
reviewers for their constructive comments and suggestions. The data used
in the study can be obtained from the corresponding author.
NR 57
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U1 7
U2 7
PU AMER GEOPHYSICAL UNION
PI WASHINGTON
PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA
SN 0043-1397
EI 1944-7973
J9 WATER RESOUR RES
JI Water Resour. Res.
PD JAN
PY 2017
VL 53
IS 1
BP 867
EP 890
DI 10.1002/2016WR019191
PG 24
WC Environmental Sciences; Limnology; Water Resources
SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water
Resources
GA EL9AJ
UT WOS:000394911200051
ER
PT J
AU Huertas-Hernando, D
Farahmand, H
Holttinen, H
Kiviluoma, J
Rinne, E
Soder, L
Milligan, M
Ibanez, E
Martinez, SM
Gomez-Lazaro, E
Estanqueiro, A
Rodrigues, L
Carr, L
van Roon, S
Orths, AG
Eriksen, PB
Forcione, A
Menemenlis, N
AF Huertas-Hernando, Daniel
Farahmand, Hossein
Holttinen, Hannele
Kiviluoma, Juha
Rinne, Erkka
Soder, Lennart
Milligan, Michael
Ibanez, Eduardo
Martin Martinez, Sergio
Gomez-Lazaro, Emilio
Estanqueiro, Ana
Rodrigues, Luis
Carr, Luis
van Roon, Serafin
Orths, Antje Gesa
Eriksen, Peter Borre
Forcione, Alain
Menemenlis, Nickie
TI Hydro power flexibility for power systems with variable renewable energy
sources: an IEA Task 25 collaboration
SO WILEY INTERDISCIPLINARY REVIEWS-ENERGY AND ENVIRONMENT
LA English
DT Review
ID PUMPED-STORAGE; WIND POWER; INTEGRATION; GENERATION; OPERATION; MODEL
AB Hydro power is one of the most flexible sources of electricity production. Power systems with considerable amounts of flexible hydro power potentially offer easier integration of variable generation, e.g., wind and solar. However, there exist operational constraints to ensure mid-/long-term security of supply while keeping river flows and reservoirs levels within permitted limits. In order to properly assess the effective available hydro power flexibility and its value for storage, a detailed assessment of hydro power is essential. Due to the inherent uncertainty of the weather-dependent hydrological cycle, regulation constraints on the hydro system, and uncertainty of internal load as well as variable generation (wind and solar), this assessment is complex. Hence, it requires proper modeling of all the underlying interactions between hydro power and the power system, with a large share of other variable renewables. A summary of existing experience of wind integration in hydro-dominated power systems clearly points to strict simulation methodologies. Recommendations include requirements for techno-economic models to correctly assess strategies for hydro power and pumped storage dispatch. These models are based not only on seasonal water inflow variations but also on variable generation, and all these are in time horizons from very short term up to multiple years, depending on the studied system. Another important recommendation is to include a geographically detailed description of hydro power systems, rivers' flows, and reservoirs as well as grid topology and congestion. (C) 2016 John Wiley & Sons, Ltd
C1 [Huertas-Hernando, Daniel] SINTEF, Dept Energy Syst, Trondheim, Norway.
[Farahmand, Hossein] Norwegian Univ Sci & Technol NTNU, Dept Elect Power Engn, Trondheim, Norway.
[Holttinen, Hannele; Kiviluoma, Juha; Rinne, Erkka] VTT Tech Res Ctr Finland, Dept Energy Syst, Espoo, Finland.
[Soder, Lennart] KTH Univ, Dept Elect Engn, Stockholm, Sweden.
[Milligan, Michael; Ibanez, Eduardo] Natl Renewable Energy Lab, Transmiss & Grid Integrat Grp, Natl Wind Technol Ctr, Golden, CO USA.
[Martin Martinez, Sergio; Gomez-Lazaro, Emilio] Univ Castilla La Mancha, Dept Elect Engn Elect Automat & Commun, Albacete, Spain.
[Estanqueiro, Ana; Rodrigues, Luis] Natl Lab Energy & Geol LNEG, Lisbon, Portugal.
[Carr, Luis; van Roon, Serafin] Res Assoc Energy Econ FfE GmbH, Munich, Germany.
[Orths, Antje Gesa; Eriksen, Peter Borre] Energinet Dk, Fredericia, Denmark.
[Forcione, Alain; Menemenlis, Nickie] Hydro Quebec, Montreal, PQ, Canada.
RP Huertas-Hernando, D (reprint author), SINTEF, Dept Energy Syst, Trondheim, Norway.
EM Daniel.HuertasHernando@entsoe.eu
NR 64
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U1 1
U2 1
PU WILEY PERIODICALS, INC
PI SAN FRANCISCO
PA ONE MONTGOMERY ST, SUITE 1200, SAN FRANCISCO, CA 94104 USA
SN 2041-8396
EI 2041-840X
J9 WIRES ENERGY ENVIRON
JI Wiley Interdiscip. Rev. Energy Environ.
PD JAN-FEB
PY 2017
VL 6
IS 1
AR UNSP e220
DI 10.1002/wene.220
PG 20
WC Energy & Fuels
SC Energy & Fuels
GA EO7UZ
UT WOS:000396896900004
ER
PT J
AU Milligan, M
Frew, B
Ibanez, E
Kiviluoma, J
Holttinen, H
Soder, L
AF Milligan, Michael
Frew, Bethany
Ibanez, Eduardo
Kiviluoma, Juha
Holttinen, Hannele
Soder, Lennart
TI Capacity value assessments of wind power
SO WILEY INTERDISCIPLINARY REVIEWS-ENERGY AND ENVIRONMENT
LA English
DT Review
ID LOAD-CARRYING CAPABILITY; GENERATION; SYSTEMS
AB This article describes some of the recent research into the capacity value of wind power. With the worldwide increase in wind power during the past several years, there is increasing interest and significance regarding its capacity value because this has a direct influence on the amount of other (nonwind) capacity that is needed. We build on previous reviews from IEEE and IEA Wind Task 25a and examine recent work that evaluates the impact of multiple-year data sets and the impact of interconnected systems on resource adequacy. We also provide examples that explore the use of alternative reliability metrics for wind capacity value calculations. We show how multiple-year data sets significantly increase the robustness of results compared to single-year assessments. Assumptions regarding the transmission interconnections play a significant role. To date, results regarding which reliability metric to use for probabilistic capacity valuation show little sensitivity to the metric. (C) 2016 John Wiley & Sons, Ltd
C1 [Milligan, Michael; Frew, Bethany] Natl Renewable Energy Lab, Golden, CO USA.
[Ibanez, Eduardo] Gen Elect GE Energy Consulting, Schenectady, NY USA.
[Kiviluoma, Juha; Holttinen, Hannele] VTT, Espoo, Finland.
[Soder, Lennart] Royal Inst Technol, Stockholm, Sweden.
RP Milligan, M (reprint author), Natl Renewable Energy Lab, Golden, CO USA.
EM Michael.Milligan@nrel.gov
FU U.S. Department of Energy [DE-AC36-08GO28308]; National Renewable Energy
Laboratory; U.S. Department of Energy Wind Program; U.S. Government
FX This article is the result of an IEA Task 25 Collaboration. It builds on
previous reviews from IEEE and IEA Wind Task 25. The National Renewable
Energy Laboratory's contribution to this work was supported by the U.S.
Department of Energy under Contract No. DE-AC36-08GO28308 with the
National Renewable Energy Laboratory. Funding was provided by U.S.
Department of Energy Wind Program. 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
work, or allow others to do so, for U.S. government purposes.
NR 54
TC 1
Z9 1
U1 0
U2 0
PU WILEY PERIODICALS, INC
PI SAN FRANCISCO
PA ONE MONTGOMERY ST, SUITE 1200, SAN FRANCISCO, CA 94104 USA
SN 2041-8396
EI 2041-840X
J9 WIRES ENERGY ENVIRON
JI Wiley Interdiscip. Rev. Energy Environ.
PD JAN-FEB
PY 2017
VL 6
IS 1
AR UNSP e226
DI 10.1002/wene.226
PG 15
WC Energy & Fuels
SC Energy & Fuels
GA EO7UZ
UT WOS:000396896900006
ER
PT J
AU Yang, J
Peng, J
Li, M
Nyberg, EA
Pan, FS
AF Yang, Jiang
Peng, Jian
Li, Min
Nyberg, Eric A.
Pan, Fu-Sheng
TI Effects of Ca Addition on the Mechanical Properties and Corrosion
Behavior of ZM21 Wrought Alloys
SO ACTA METALLURGICA SINICA-ENGLISH LETTERS
LA English
DT Article
DE Microstructure; Mechanical property; Corrosion resistance; Ca addition;
Mg alloy
ID AZ31 MAGNESIUM ALLOY; 3.5 WT.PERCENT NACL; MG-CA; HIGH-STRENGTH; ZN
ALLOYS; CA/AL RATIO; MICROSTRUCTURE; PHASE; RESISTANCE; EXTRUSION
AB The microstructures, mechanical properties, and corrosion resistance of ZM21 magnesium alloys with a wide range of calcium (Ca) addition (0.1-1.6 wt%) were investigated. Results showed that the mechanical properties and corrosion resistance were improved with Ca addition because of grain refinement and formation of Ca2Mg6Zn3. However, these properties were deteriorated when Ca contents reached 1.6 wt%. The optimal Ca content of alloys was 0.7 wt%; alloy with this Ca content showed good mechanical performance and corrosion resistance, having a strength of 260 MPa, an elongation of 21.5%, and an average weight loss of 0.77 mg/(cm(2) days).
C1 [Yang, Jiang; Peng, Jian; Li, Min; Pan, Fu-Sheng] Chongqing Univ, Coll Mat Sci & Engn, State Key Lab Mech Transmiss, Chongqing 400044, Peoples R China.
[Peng, Jian; Pan, Fu-Sheng] Chongqing Acad Sci & Technol, Chongqing 401123, Peoples R China.
[Nyberg, Eric A.] Pacific Northwest Natl Lab, Richland, WA 99354 USA.
RP Peng, J (reprint author), Chongqing Univ, Coll Mat Sci & Engn, State Key Lab Mech Transmiss, Chongqing 400044, Peoples R China.; Peng, J (reprint author), Chongqing Acad Sci & Technol, Chongqing 401123, Peoples R China.
EM sallyyangj@163.com; jpeng@cqu.edu.cn; 20140902036@cqu.edu.cn;
eric.nyberg@pnnl.gov; fspan@cqu.edu.cn
FU National Natural Science Foundation of China [51474043]; Ministry of
Education of China [NSRFDR 20130191110018]; Education Commission of
Chongqing Municipality [KJZH14101]
FX This work was supported by the National Natural Science Foundation of
China (No. 51474043), the Ministry of Education of China (NSRFDR
20130191110018), and the Education Commission of Chongqing Municipality
(KJZH14101).
NR 58
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U2 0
PU CHINESE ACAD SCIENCES, INST METAL RESEARCH
PI SHENYANG
PA 72 WENHUA RD, SHENYANG, 110016, PEOPLES R CHINA
SN 1006-7191
EI 2194-1289
J9 ACTA METALL SIN-ENGL
JI Acta Metall. Sin.-Engl. Lett.
PD JAN
PY 2017
VL 30
IS 1
BP 53
EP 65
DI 10.1007/s40195-016-0492-0
PG 13
WC Metallurgy & Metallurgical Engineering
SC Metallurgy & Metallurgical Engineering
GA EN3NP
UT WOS:000395915500005
ER
PT J
AU Tremsin, AS
Losko, AS
Vogel, SC
Byler, DD
McClellan, KJ
Bourke, MAM
Vallerga, JV
AF Tremsin, A. S.
Losko, A. S.
Vogel, S. C.
Byler, D. D.
McClellan, K. J.
Bourke, M. A. M.
Vallerga, J. V.
TI Non-contact measurement of partial gas pressure and distribution of
elemental composition using energy-resolved neutron imaging
SO AIP ADVANCES
LA English
DT Article
ID RESONANCE TRANSMISSION; SPECTROSCOPY; OPTIMIZATION; RADIOGRAPHY;
TEMPERATURE; ABSORPTION; DETECTOR
AB Neutron resonance absorption imaging is a non-destructive technique that can characterize the elemental composition of a sample by measuring nuclear resonances in the spectrum of a transmitted beam. Recent developments in pixelated time-of-flight imaging detectors coupled with pulsed neutron sources pose new opportunities for energy-resolved imaging. In this paper we demonstrate non-contact measurements of the partial pressure of xenon and krypton gases encapsulated in a steel pipe while simultaneously passing the neutron beam through high-Z materials. The configuration was chosen as a proof of principle demonstration of the potential to make non-destructive measurement of gas composition in nuclear fuel rods. The pressure measured from neutron transmission spectra (similar to 739 +/- 98 kPa and similar to 751 +/- 154 kPa for two Xe resonances) is in relatively good agreement with the pressure value of similar to 758 +/- 21 kPa measured by a pressure gauge. This type of imaging has been performed previously for solids with a spatial resolution of similar to 100 mu m. In the present study it is demonstrated that the high penetration capability of epithermal neutrons enables quantitative mapping of gases encapsulate within high-Z materials such as steel, tungsten, urania and others. This technique may be beneficial for the non-destructive testing of bulk composition of objects (such as spent nuclear fuel assemblies and others) containing various elements opaque to other more conventional imaging techniques. The ability to image the gaseous substances concealed within solid materials also allows non-destructive leak testing of various containers and ultimately measurement of gas partial pressures with sub-mm spatial resolution. (C) 2017 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license
C1 [Tremsin, A. S.; Vallerga, J. V.] Univ Calif Berkeley, Berkeley, CA 94720 USA.
[Losko, A. S.; Vogel, S. C.; Byler, D. D.; McClellan, K. J.; Bourke, M. A. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Tremsin, AS (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA.
EM ast@ssl.berkeley.edu
OI Vogel, Sven C./0000-0003-2049-0361
FU U.S. Department of Energy under STTR [DE-FG02-07ER86322,
DE-FG02-08ER86353, DE-SC0009657]
FX We would like to acknowledge the generous donation of Vertex 5 and 6
FPGAs and VIVADO Design Suite by Xilinx Inc. of San Jose, California
through the Xilinx University Program. The help of Dr. Luke Daemen with
gas samples preparation is greatly appreciated. The detector used in
these experiments was developed in collaboration between UC Berkeley and
Nova Scientific, and the Timepix readout developed within the Medipix
collaboration. The authors are thankful to Czech Technical University in
Prague for the Pixelman data acquisition software[ D. Turecek, T. Holy,
J. Jakubek, S. Pospisil, Z. Vykydal, " Pixelman: a multi-platform data
acquisition and processing software package for Medipix2, Timepix and
Medipix3 detectors", J. Instrumentation 6, 1-6 (2011)] and Advacam, Inc.
for the help with the Timepix detector and data acquisition. This work
was supported in part by the U.S. Department of Energy under STTR Grants
No. DE-FG02-07ER86322, DE-FG02-08ER86353 and DE-SC0009657.
NR 33
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Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 2158-3226
J9 AIP ADV
JI AIP Adv.
PD JAN
PY 2017
VL 7
IS 1
AR 015315
DI 10.1063/1.4975632
PG 14
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Physics, Applied
SC Science & Technology - Other Topics; Materials Science; Physics
GA EN1SI
UT WOS:000395789900085
ER
PT J
AU Zarkadoula, E
Jin, K
Zhang, YW
Weber, WJ
AF Zarkadoula, Eva
Jin, Ke
Zhang, Yanwen
Weber, William J.
TI Synergistic effects of nuclear and electronic energy loss in KTaO3 under
ion irradiation
SO AIP ADVANCES
LA English
DT Article
ID HEAVY-ION; THERMAL-CONDUCTIVITY; TRACK FORMATION
AB We use the inelastic thermal spike model for insulators and molecular dynamic simulations to investigate the effects of pre-existing damage on the energy dissipation and structural alterations in KTaO3 under irradiation with 21 MeV Ni ions. Our results reveal a synergy between the pre-existing defects and the electronic energy loss, indicating that the defects play an important role on the energy deposition in the system. Our findings highlight the need for better understanding on the role of defects in electronic energy dissipation and the coupling of the electronic and atomic subsystems. (C) 2017 Author(s).
C1 [Zarkadoula, Eva; Jin, Ke; Zhang, Yanwen; Weber, William J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Weber, William J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
RP Zarkadoula, E (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
EM zarkadoulae@ornl.gov
OI Weber, William/0000-0002-9017-7365
FU U.S. Department of Energy, Office of Science, Basic Energy Sciences,
Materials Sciences and Engineering Division; Office of Science, US
Department of Energy [DEAC02-05CH11231]; U.S. Department of Energy
[DE-AC0500OR22725]
FX This work was supported by the U.S. Department of Energy, Office of
Science, Basic Energy Sciences, Materials Sciences and Engineering
Division. This research used resources of the National Energy Research
Scientific Computing Center, supported by the Office of Science, US
Department of Energy under Contract No. DEAC02-05CH11231.; This
manuscript has been authored by UT-Battelle, LLC under Contract No.
DE-AC0500OR22725 with the U.S. Department of Energy. The United States
Government retains and the publisher, by accepting the article for
publication, acknowledges that the United States Government retains a
non-exclusive, paid-up, irrevocable, world-wide license to publish or
reproduce the published form of this manuscript, or allow others to do
so, for United States Government purposes. The Department of Energy will
provide public access to these results of federally sponsored research
in accordance with the DOE Public Access
Plan(http://energy.gov/downloads/ doe-public-access-plan).
NR 24
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U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 2158-3226
J9 AIP ADV
JI AIP Adv.
PD JAN
PY 2017
VL 7
IS 1
AR 015016
DI 10.1063/1.4973938
PG 6
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Physics, Applied
SC Science & Technology - Other Topics; Materials Science; Physics
GA EN1SI
UT WOS:000395789900016
ER
PT J
AU Carrieri, D
Lombardi, T
Paddock, T
Cano, M
Goodney, GA
Nag, A
Old, W
Maness, PC
Seibert, M
Ghirardi, M
Yu, JP
AF Carrieri, Damian
Lombardi, Thomas
Paddock, Troy
Cano, Melissa
Goodney, Gabriel A.
Nag, Ambarish
Old, William
Maness, Pin-Ching
Seibert, Michael
Ghirardi, Maria
Yu, Jianping
TI Transcriptome and proteome analysis of nitrogen starvation responses in
Synechocystis 6803 Delta glgC, a mutant incapable of glycogen storage
SO ALGAL RESEARCH-BIOMASS BIOFUELS AND BIOPRODUCTS
LA English
DT Article
ID SP STRAIN PCC-6803; CENTRAL METABOLISM; HYDROGEN-PEROXIDE;
GENE-EXPRESSION; ORGANIC-ACIDS; CYANOBACTERIUM; GLUCOSE; HIK31;
2-OXOGLUTARATE; IDENTIFICATION
AB Molecular mechanisms that regulate carbon flux are poorly understood in algae. The Delta glgC mutant of the cyanobacterium Synechocystis sp. PCC 6803 is incapable of glycogen storage and displays an array of physiological responses under nitrogen starvation that are different from wild-type (WT). These include non-bleaching phenotype and the redirection of photosynthetically fixed carbon towards excreted organic acids (overflow metabolism) without biomass growth. To understand the role of gene/protein expression in these responses, we followed the time course of transcripts by genome-scale microarrays and proteins by shotgun proteomics in Delta glgC and WT cells upon nitrogen starvation. Compared to WT, the degradation of phycobilisome rod proteins was delayed and attenuated in the mutant, and the core proteins were less degraded; both contributed to the non-bleaching appearance despite the induction of nblA genes, suggesting the presence of a break in regulation of the phycobilisome degradation pathway downstream of nblA induction. The mutant displayed NtcA-mediated transcriptional response to nitrogen starvation, indicating that it is able to sense nitrogen status. Furthermore, some responses to nitrogen starvation appear to be stronger in the mutant, as shown by the increases in transcripts for the transcriptional regulator, rre37, which regulates central carbon metabolism. Accordingly, multiple proteins involved in photosynthesis, central carbon metabolism, and carbon storage and utilization showed lower abundance in the mutant. These results indicate that the transition in the central carbon metabolism from growth to overflow metabolism in Delta glgC does not require increases in expression of the overflow pathway enzymes; the transition and non-bleaching phenotype are likely regulated instead at the metabolite level. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Carrieri, Damian; Paddock, Troy; Cano, Melissa; Maness, Pin-Ching; Seibert, Michael; Ghirardi, Maria; Yu, Jianping] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA.
[Lombardi, Thomas; Goodney, Gabriel A.] Washington & Jefferson Coll, Washington, PA USA.
[Nag, Ambarish] Natl Renewable Energy Lab, Computat Sci Ctr, Golden, CO USA.
[Old, William] Univ Colorado, Dept Mol Cellular & Dev Biol, Boulder, CO 80309 USA.
[Carrieri, Damian; Paddock, Troy] Matrix Genet LLC, Seattle, WA 98102 USA.
RP Yu, JP (reprint author), Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA.
EM Jianping.Yu@nrel.gov
FU DOE Office of Energy Efficiency and Renewable Energy, Fuel Cell
Technologies Office [DE-AC36-08-GO28308]; RASEI Seed Grant; U.S.
Department of Energy (DOE), Office of Science Basic Energy Sciences
through FWP ERWER0A
FX Project planning, sample preparation, physiological characterization,
and acquisition of transcriptomic and proteomic data were supported by
National Renewable Energy Laboratory LDRD program (MS, JY, PCM, DC, TP,
AN). In-depth data analyses and preparation of the manuscript was
supported by the U.S. Department of Energy (DOE), Office of Science
Basic Energy Sciences through FWP ERWER0A (MG, DC, TP, MC, JY). This
work was also supported in part by DOE Office of Energy Efficiency and
Renewable Energy, Fuel Cell Technologies Office under Contract
DE-AC36-08-GO28308 (PCM), and by a RASEI Seed Grant for proteome
analysis (MS, WO). The authors wish to thank Chris Chang, Patrick H
Bradley, Shihui Yang, and Carrie Eckert for discussions, comments on the
manuscript, and technical assistance. 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
work, or allow others to do so, for U.S. Government purposes.
NR 40
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Z9 0
U1 1
U2 1
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 2211-9264
J9 ALGAL RES
JI Algal Res.
PD JAN
PY 2017
VL 21
BP 64
EP 75
DI 10.1016/j.algal.2016.11.003
PG 12
WC Biotechnology & Applied Microbiology
SC Biotechnology & Applied Microbiology
GA EO0CI
UT WOS:000396365500009
ER
PT J
AU Huesemann, M
Dale, T
Chavis, A
Crowe, B
Twary, S
Barry, A
Valentine, D
Yoshida, R
Wigmosta, M
Cullinan, V
AF Huesemann, M.
Dale, T.
Chavis, A.
Crowe, B.
Twary, S.
Barry, A.
Valentine, D.
Yoshida, R.
Wigmosta, M.
Cullinan, V.
TI Simulation of outdoor pond cultures using indoor LED-lighted and
temperature-controlled raceway ponds and Phenometrics photobioreactors
SO ALGAL RESEARCH-BIOMASS BIOFUELS AND BIOPRODUCTS
LA English
DT Article
DE Phenometrics photobioreactors; ePBR; climate-simulation raceway ponds;
Chlorella sorokiniana; Picochlorum soloecismus; flow cytometry
ID ALGAL REACTOR HISTAR; FLASHING LIGHT; GROWTH-RATE; PRODUCTIVITY;
CHLORELLA; DYNAMICS; BIOMASS; MODEL
AB Two innovative culturing systems, the LED-lighted and temperature-controlled 800 liter indoor raceways at Pacific Northwest National Laboratory (PNNL) and the Phenometrics environmental Photobioreactors T (TM) (ePBRs) were evaluated in terms of their ability to accurately simulate the microalgae growth performance of outdoor cultures subjected to fluctuating sunlight and water temperature conditions. When repeating a 60-day outdoor pond culture experiment (batch and semi-continuous at two dilution rates) conducted in Arizona with the freshwater strain Chlorella sorokiniana DOE 1412 in these two indoor simulators, it was found that ash-free dry weight based biomass growth and productivity in the PNNL climate-simulation ponds was comparatively slightly higher (8-13%) but significantly lower (44%) in the ePBRs. The difference in biomass productivities between the indoor and outdoor ponds was not statistically significant. When the marine Picochlorum soloecismus was cultured in five replicate ePBRs at Los Alamos National Laboratory (LANL) and in duplicate indoor climate-simulation ponds at PNNL, using the same inoculum, medium, culture depth, and light and temperature scripts, the optical density based biomass productivity and the rate of increase in cell counts in the ePBRs was about 35% and 66%, respectively, lower compared than in the indoor ponds. Potential reasons for the divergence in growth performance in these pond simulators, relative to outdoor raceways, are discussed. In conclusion, the PNNL climate-simulation ponds provide reasonably reliable biomass productivity estimates for microalgae strains cultured in outdoor raceways under different climatic conditions. (C) 2016 The Authors. Published by Elsevier B. V.
C1 [Huesemann, M.; Chavis, A.; Crowe, B.; Valentine, D.; Cullinan, V.] Pacific Northwest Natl Lab, Marine Sci Lab, Sequim, WA 98382 USA.
[Dale, T.; Twary, S.; Barry, A.; Yoshida, R.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA.
[Wigmosta, M.] Pacific Northwest Natl Lab, Hydrol Grp, Richland, WA 99352 USA.
RP Huesemann, M (reprint author), Pacific Northwest Natl Lab, Marine Sci Lab, Sequim, WA 98382 USA.
EM michael.huesemann@pnnl.gov
FU US Department of Energy [DE-EE0003046]; Annual Operating Plan projects
at PNNL provided by the U.S. Department of Energy Bioenergy Technology
Office; Annual Operating Plan projects at LANL provided by the U.S.
Department of Energy Bioenergy Technology Office
FX The authors would like to acknowledge funding of this work by the US
Department of Energy under contract DE-EE0003046 awarded to the National
Alliance for Advanced Biofuels and Bioproducts. Additional funding for
Annual Operating Plan projects at PNNL and LANL was provided by the U.S.
Department of Energy Bioenergy Technology Office.
NR 32
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U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 2211-9264
J9 ALGAL RES
JI Algal Res.
PD JAN
PY 2017
VL 21
BP 178
EP 190
DI 10.1016/j.algal.2016.11.016
PG 13
WC Biotechnology & Applied Microbiology
SC Biotechnology & Applied Microbiology
GA EO0CI
UT WOS:000396365500021
ER
PT J
AU Rhodes, M
Guang, Z
Trebino, R
AF Rhodes, Michelle
Guang, Zhe
Trebino, Rick
TI Unstable and Multiple Pulsing Can Be Invisible to Ultrashort Pulse
Measurement Techniques
SO APPLIED SCIENCES-BASEL
LA English
DT Article
DE ultrafast optics; ultrashort pulse measurement
ID TI-SAPPHIRE LASER; COHERENT ARTIFACT; INTERFEROMETRY; MICROSCOPY;
OPERATION
AB Multiple pulsing occurs in most ultrashort-pulse laser systems when pumped at excessively high powers, and small fluctuations in pump power in certain regimes can cause unusual variations in the temporal separations of sub-pulses. Unfortunately, the ability of modern intensity-and-phase pulse measurement techniques to measure such unstable multi-pulsing has not been studied. Here we report calculations and simulations finding that allowing variations in just the relative phase of a satellite pulse causes the second pulse to completely disappear from a spectral interferometry for direct electric field reconstruction (SPIDER) measurement. We find that, although neither frequency-resolved optical gating (FROG) nor autocorrelation can determine the precise properties of satellite pulses due to the presence of instability, they always succeed in, at least, seeing the satellite pulses. Also, additional post-processing of the measured FROG trace can determine the correct approximate relative height of the satellite pulse and definitively indicate the presence of unstable multiple-pulsing.
C1 [Rhodes, Michelle; Guang, Zhe; Trebino, Rick] Georgia Inst Technol, Sch Phys, 837 State St, Atlanta, GA 30332 USA.
[Rhodes, Michelle] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
RP Rhodes, M (reprint author), Georgia Inst Technol, Sch Phys, 837 State St, Atlanta, GA 30332 USA.; Rhodes, M (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
EM mrhodes3@gatech.edu; zguang3@gatech.edu; rick.trebino@physics.gatech.edu
OI Rhodes, Michelle/0000-0003-3810-3737
FU US National Science Foundation [ECCS-1307817, ECCS-1609808]; Georgia
Research Alliance; U.S. Department of Energy by Lawrence Livermore
National Laboratory [DE-AC52-07NA27344]
FX Some of the results in this manuscript have been published in the SPIE
Proceedings 9732, and text and figures from that article have been
reproduced herein. Financial support is from the US National Science
Foundation Grants #ECCS-1307817 and #ECCS-1609808 and the Georgia
Research Alliance. This work was performed in part under the auspices of
the U.S. Department of Energy by Lawrence Livermore National Laboratory
under Contract DE-AC52-07NA27344.
NR 19
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U1 1
U2 1
PU MDPI AG
PI BASEL
PA ST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLAND
SN 2076-3417
J9 APPL SCI-BASEL
JI Appl. Sci.-Basel
PD JAN
PY 2017
VL 7
IS 1
AR 40
DI 10.3390/app7010040
PG 14
WC Chemistry, Multidisciplinary; Materials Science, Multidisciplinary;
Physics, Applied
SC Chemistry; Materials Science; Physics
GA EM7IY
UT WOS:000395485900040
ER
PT J
AU He, YC
Li, XL
Xue, XY
Swita, MS
Schmidt, AJ
Yang, B
AF He, Yucai
Li, Xiaolu
Xue, Xiaoyun
Swita, Marie S.
Schmidt, Andrew J.
Yang, Bin
TI Biological conversion of the aqueous wastes from hydrothermal
liquefaction of algae and pine wood by Rhodococci
SO BIORESOURCE TECHNOLOGY
LA English
DT Article
DE Hydrothermal liquefaction aqueous waste; Lipid; Bioconversion;
Coculture; Oleaginous Rhodococci
ID WATER BIPHASIC SYSTEM; LIPID PRODUCTION; SP CCZU10-1; DEGRADATION;
OPACUS; LIGNIN; BIODEGRADATION; BACTERIA; BIOMASS; REACTOR
AB In this study, R. opacus PD630, R. jostii RHA1, R. jostii RHA1 VanA , and their co-culture were employed to convert hydrothermal liquefaction aqueous waste (HTLAW) into lipids. After 11 days, the COD reduction of algal-HTLAW reached 93.4% and 92.7% by R. jostii RHA1 and its mutant VanA , respectively. Woody-HTLAW promoted lipid accumulation of 0.43 g lipid/g cell dry weight in R. opacus PD630 cells. Additionally, the total number of chemicals in HTLAW decreased by over 1/3 after 7 days of coculture, and 0.10 g/L and 0.46 g/L lipids were incrementally accumulated in the cellular mass during the fermentation of wood-and algal-HTLAW, respectively. The GC-MS data supported that different metabolism pathways were followed when these Rhodococci strains degraded algae-and woody-HTLAW. These results indicated promising potential of bioconversion of under-utilized carbon and toxic compounds in HTLAW into useful products by selected Rhodococci. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [He, Yucai; Li, Xiaolu; Xue, Xiaoyun; Yang, Bin] Washington State Univ, Bioprod Sci & Engn Lab, Richland, WA 99354 USA.
[He, Yucai; Li, Xiaolu; Xue, Xiaoyun; Yang, Bin] Washington State Univ, Dept Biol Syst Engn, Richland, WA 99354 USA.
[Swita, Marie S.; Schmidt, Andrew J.] Pacific Northwest Natl Lab, Energy & Efficiency Div, Richland, WA 99354 USA.
[Swita, Marie S.; Schmidt, Andrew J.] Pacific Northwest Natl Lab, Bioprod Sci & Engn Lab, Richland, WA 99354 USA.
RP Yang, B (reprint author), Washington State Univ, Bioprod Sci & Engn Lab, Richland, WA 99354 USA.; Yang, B (reprint author), Washington State Univ, Dept Biol Syst Engn, Richland, WA 99354 USA.
EM binyang@tricity.wsu.edu
OI yang, bin/0000-0003-1686-8800
FU U.S. Department of Energy (DOE) [DE-EE0006112]; China Jiangsu Government
Scholarship for Overseas Studies; Department of Energy's Office of
Biological and Environmental Research (BER)
FX This work was supported by the U.S. Department of Energy (DOE) Award
#DE-EE0006112. Dr. YC He was partially supported by the China Jiangsu
Government Scholarship for Overseas Studies. This work was performed in
part at the Pacific Northwest National Laboratory and the Bioproducts,
Science & Engineering Laboratory and Department of Biological Systems
Engineering at Washington State University. Part of this work was
conducted at the William R. Wiley Environmental Molecular Sciences
Laboratory (EMSL), a national scientific user facility located at the
Pacific Northwest National Laboratory (PNNL) and sponsored by the
Department of Energy's Office of Biological and Environmental Research
(BER). We thank Mrs. Christopher Smith, Peiyu Leu, and Dr. Hasan Bugra
Coban for technical support and insightful discussions.
NR 34
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U2 3
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0960-8524
EI 1873-2976
J9 BIORESOURCE TECHNOL
JI Bioresour. Technol.
PD JAN
PY 2017
VL 224
BP 457
EP 464
DI 10.1016/j.biortech.2016.10.059
PG 8
WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy &
Fuels
SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels
GA EN0HW
UT WOS:000395691900055
PM 27806887
ER
PT J
AU Hashmi, M
Sun, QN
Tao, JM
Wells, T
Shah, AA
Labbe, N
Ragauskas, AJ
AF Hashmi, Muzna
Sun, Qining
Tao, Jingming
Wells, Tyrone, Jr.
Shah, Aamer Ali
Labbe, Nicole
Ragauskas, Arthur J.
TI Comparison of autohydrolysis and ionic liquid 1-butyl-3methylimidazolium
acetate pretreatment to enhance enzymatic hydrolysis of sugarcane
bagasse
SO BIORESOURCE TECHNOLOGY
LA English
DT Article
DE Sugarcane bagasse; Autohydrolysis; Ionic liquid; Hydrolysability
ID HOT-WATER PRETREATMENT; ENERGY CANE BAGASSE; CELLULOSE ULTRASTRUCTURE;
FERMENTABLE SUGARS; ETHANOL-PRODUCTION; ACID PRETREATMENT; STEAM
EXPLOSION; DILUTE-ACID; SACCHARIFICATION; DELIGNIFICATION
AB The aim of this work was to evaluate the efficiency of an ionic liquid (IL) 1-butyl-3-methylimidazolium acetate ([C(4)mim][OAc]) pretreatment (110 degrees C for 30 min) in comparison to high severity autohydrolysis pretreatment in terms of delignification, cellulose crystallinity and enzymatic digestibility. The increase in severity of autohydrolysis pretreatment had positive effect on glucan digestibility, but was limited by the crystallinity of cellulose. [C(4)mim][OAc] pretreated sugarcane bagasse exhibited a substantial decrease in lignin content, reduced cellulose crystallinity, and enhanced glucan and xylan digestibility. Glucan and xylan digestibility was determined as 97.4% and 98.6% from [C(4)mim][OAc] pretreated bagasse, and 62.1% and 57.5% from the bagasse autohydrolyzed at 205 degrees C for 6 min, respectively. The results indicated the improved digestibility and hydrolysis rates after [C(4)mim][OAc] pretreatment when compared against a comparable autohydrolyzed biomass. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Hashmi, Muzna; Sun, Qining; Wells, Tyrone, Jr.; Ragauskas, Arthur J.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Hashmi, Muzna; Sun, Qining; Wells, Tyrone, Jr.; Labbe, Nicole; Ragauskas, Arthur J.] Univ Tennessee, Dept Forestry, Dept Wildlife & Fisheries, Knoxville, TN 37996 USA.
[Tao, Jingming; Labbe, Nicole; Ragauskas, Arthur J.] Univ Tennessee, Ctr Renewable Carbon, Knoxville, TN USA.
[Hashmi, Muzna; Shah, Aamer Ali] Quaid I Azam Univ, Fac Biol Sci, Dept Microbiol, Islamabad, Pakistan.
[Ragauskas, Arthur J.] Oak Ridge Natl Lab, Joint Inst Biol Sci, Biosci Div, Oak Ridge, TN 37831 USA.
[Ragauskas, Arthur J.] Univ Tennessee, 323-B Dougherty Engn Bldg,1512 Middle Dr, Knoxville, TN 37996 USA.
RP Ragauskas, AJ (reprint author), Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.; Ragauskas, AJ (reprint author), Univ Tennessee, 323-B Dougherty Engn Bldg,1512 Middle Dr, Knoxville, TN 37996 USA.
EM aragausk@utk.edu
FU Higher Education Commission of Pakistan
FX The researchers wish to thank Higher Education Commission of Pakistan
for research support for MH.
NR 45
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PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0960-8524
EI 1873-2976
J9 BIORESOURCE TECHNOL
JI Bioresour. Technol.
PD JAN
PY 2017
VL 224
BP 714
EP 720
DI 10.1016/j.biortech.2016.10.089
PG 7
WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy &
Fuels
SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels
GA EN0HW
UT WOS:000395691900086
PM 27864135
ER
PT J
AU Lee, S
Lee, S
Kumbhalkar, MD
Wiaderek, KM
Dumesic, J
Winans, RE
AF Lee, Sungwon
Lee, Sungsik
Kumbhalkar, Mrunmayi D.
Wiaderek, Kamila M.
Dumesic, James
Winans, Randall E.
TI Effect of Particle Size upon Pt/SiO2 Catalytic Cracking of n-Dodecane
under Supercritical Conditions: In situ SAXS and XANES Studies
SO CHEMCATCHEM
LA English
DT Article
ID HYDROCARBON FUELS; PT/KL CATALYSTS; HZSM-5; NANOPARTICLES; DEPOSITION;
MORPHOLOGY; ALUMINA; HEXANE; GEL
AB The endothermic cracking and dehydrogenation of n-dodecane is investigated over well-defined nanometer size platinum catalysts supported on SiO2 to study the particle size effects in the catalytic cracking reaction, with simultaneous in situ monitoring of the particle size and oxidation state of the working catalysts by in situ SAXS (small angle X-ray scattering) and XAS (X-ray absorption spectroscopy). The selectivity toward olefins products was found dominant in the 1 nm size platinum catalysts, whereas paraffins are dominant in the 2 nm catalysts. This reveals a strong correlation between catalytic performance and catalyst size as well as the stability of the nanoparticles in supercritical condition of n-dodecane. The presented results suggest that controlling the size and geometric structure of platinum nanocatalysts could lead to a fundamentally new level of understanding of nanoscale materials by monitoring the catalysts in realistic reaction conditions.
C1 [Lee, Sungwon; Lee, Sungsik; Wiaderek, Kamila M.; Winans, Randall E.] Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Kumbhalkar, Mrunmayi D.; Dumesic, James] Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA.
RP Winans, RE (reprint author), Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM rewinans@anl.gov
FU Air Force Office of Scientific Research through Basic Research
Initiative [AFOSR FA9550-12-1-0400]; DOE Office of Science by Argonne
National Laboratory [DE-AC02-06CH11357]
FX This work was supported by Air Force Office of Scientific Research
through Basic Research Initiative grant AFOSR FA9550-12-1-0400. This
research used resources of the Advanced Photon Source (APS) and the
Center for Nanoscale Materials (CNM), U. S. Department of Energy (DOE)
Office of Science User Facilities operated for the DOE Office of Science
by Argonne National Laboratory under Contract No. DE-AC02-06CH11357.
NR 22
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U1 2
U2 2
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1867-3880
EI 1867-3899
J9 CHEMCATCHEM
JI ChemCatChem
PD JAN
PY 2017
VL 9
IS 1
BP 99
EP 102
DI 10.1002/cctc.201600829
PG 4
WC Chemistry, Physical
SC Chemistry
GA EN1UZ
UT WOS:000395797000015
ER
PT J
AU Foraita, S
Liu, Y
Haller, GL
Barath, E
Zhao, C
Lercher, JA
AF Foraita, Sebastian
Liu, Yue
Haller, Gary L.
Barath, Eszter
Zhao, Chen
Lercher, Johannes A.
TI Controlling Hydrodeoxygenation of Stearic Acid to n-Heptadecane and
n-Octadecane by Adjusting the Chemical Properties of Ni/SiO2-ZrO2
Catalyst
SO CHEMCATCHEM
LA English
DT Article
DE acidity; fatty acids; hydrogenation; nickel; zeolite analogues
ID SURFACE-ACIDITY; METAL-OXIDES; ZIRCONIA MORPHOLOGY; METHANOL SYNTHESIS;
TITANIA-SILICA; MICROALGAE OIL; BINARY OXIDES; MIXED OXIDES;
DEOXYGENATION; SITES
AB A series of SiO2-ZrO2 mixed oxides with varying SiO2 concentrations were hydrothermally synthesized and used as support for Ni in the hydrodeoxygenation of stearic acid. ZrO2 provides a relatively low surface area and only Lewis acid sites, and Ni supported on ZrO2 produces n-heptadecane from stearic acid through hydrogenation and decarbonylation. The SiO2-ZrO2 mixed oxides have a higher specific surface area than ZrO2 as well as an unprecedented spherical and nanolayered morphology. Bronsted acid sites were created by the incorporation of SiO2 into ZrO2, promoting the hydrodeoxygenation activity of Ni and specifically opening a new reaction route to n-octadecane through the dehydration of 1-octadecanol intermediate into 1-octadecene with subsequent hydrogenation.
C1 [Foraita, Sebastian; Liu, Yue; Haller, Gary L.; Barath, Eszter; Zhao, Chen; Lercher, Johannes A.] Tech Univ Munich, Dept Chem, Lichtenbergstr 4, D-85747 Garching, Germany.
[Foraita, Sebastian; Liu, Yue; Haller, Gary L.; Barath, Eszter; Zhao, Chen; Lercher, Johannes A.] Tech Univ Munich, Catalysis Res Ctr, Lichtenbergstr 4, D-85747 Garching, Germany.
[Lercher, Johannes A.] Pacific Northwest Natl Lab, Inst Integrated Catalysis, 902 Battelle Blvd, Richland, WA 99352 USA.
[Zhao, Chen] East China Normal Univ, Dept Chem, Shanghai Key Lab Green Chem & Chem Proc, North Zhongshan Rd 3663, Shanghai 200062, Peoples R China.
RP Barath, E; Lercher, JA (reprint author), Tech Univ Munich, Dept Chem, Lichtenbergstr 4, D-85747 Garching, Germany.; Barath, E; Lercher, JA (reprint author), Tech Univ Munich, Catalysis Res Ctr, Lichtenbergstr 4, D-85747 Garching, Germany.; Lercher, JA (reprint author), Pacific Northwest Natl Lab, Inst Integrated Catalysis, 902 Battelle Blvd, Richland, WA 99352 USA.
EM eszter.barath@tum.de; johannes.lercher@ch.tum.de
FU AlgenFlugKraft (FKZ LaBay74) project by Bavarian Ministry of Economic
Affairs and Media, Energy and Technology ("Bayerisches Staatsministerium
fur Wirtschaft und Medien, Energie und Technologie"); Bavarian State
Ministry of Education, Science and the Arts ("Bayerisches
Staatsministerium fur Bildung und Kultus, Wissenschaft und Kunst")
FX Financial support in the framework of AlgenFlugKraft (FKZ LaBay74)
project, supported by Bavarian Ministry of Economic Affairs and Media,
Energy and Technology ("Bayerisches Staatsministerium fur Wirtschaft und
Medien, Energie und Technologie") and Bavarian State Ministry of
Education, Science and the Arts ("Bayerisches Staatsministerium fur
Bildung und Kultus, Wissenschaft und Kunst") is highly appreciated. We
thank Franz-Xaver Hecht for N2 sorption and H2
chemisorption, Martin Neukamm for AAS measurements, Tommy Hofmann,
Thomas Gronauer, and Julia Tseglakova for the catalyst synthesis. The
fruitful discussions with Dipl.-Min. Katia Rodewald, Dr. Gabriele
Raudaschl-Sieber and Dr.-Ing. Christian A. Gartner are highly
appreciated. J.A.L. acknowledges support for his contribution by the
U.S. Department of Energy (DOE), Office of Science, Office of Basic
Energy Sciences, Division of Chemical Sciences, Geosciences&Biosciences
for exploring alternative oxidic supports for deoxygenation reactions.
NR 60
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U1 7
U2 7
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1867-3880
EI 1867-3899
J9 CHEMCATCHEM
JI ChemCatChem
PD JAN
PY 2017
VL 9
IS 1
BP 195
EP 203
DI 10.1002/cctc.201601162
PG 9
WC Chemistry, Physical
SC Chemistry
GA EN1UZ
UT WOS:000395797000029
ER
PT J
AU Kuttiyiel, KA
Sasaki, K
Park, GG
Vukmirovic, MB
Wu, LJ
Zhu, YM
Chen, JGG
Adzic, RR
AF Kuttiyiel, Kurian A.
Sasaki, Kotaro
Park, Gu-Gon
Vukmirovic, Miomir B.
Wu, Lijun
Zhu, Yimei
Chen, Jingguang G.
Adzic, Radoslav R.
TI Janus structured Pt-FeNC nanoparticles as a catalyst for the oxygen
reduction reaction
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID PEM FUEL-CELLS; ELECTROCATALYTIC PROPERTIES; IRON; IDENTIFICATION;
NANOCRYSTALS; PERFORMANCE; PARAMETERS; STABILITY; SURFACES; DENSITY
AB We present a new Janus structured catalyst consisting of Pt nano-particles on Fe-N-C nanoparticles encapsulated by graphene layers for the ORR. The ORR activity of the catalyst increases under potential cycling as the unique Janus nanostructure is further bonded due to a synergetic effect. The present study describes an important advanced approach for the future design of efficient, stable, and low-cost Pt-based electrocatalytic systems.
C1 [Kuttiyiel, Kurian A.; Sasaki, Kotaro; Park, Gu-Gon; Vukmirovic, Miomir B.; Chen, Jingguang G.; Adzic, Radoslav R.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
[Kuttiyiel, Kurian A.; Chen, Jingguang G.] Columbia Univ, Dept Chem Engn, New York, NY 10027 USA.
[Park, Gu-Gon] Korea Inst Energy Res, Fuel Cell Lab, Daejeon 305343, South Korea.
[Wu, Lijun; Zhu, Yimei] Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA.
RP Adzic, RR (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM adzic@bnl.gov
FU U.S. Department of Energy [DE-SC0012704, DE-FG02-13ER16381];
International Collaborative Energy Technology R& D Program of the Korea
Institute of Energy Technology Evaluation and Planning (KETEP); Ministry
of Trade, Industry & Energy, Republic of Korea [20158520030830]
FX This manuscript has been authored by employees/guest of Brookhaven
Science Associates, LLC under Contract No. DE-SC0012704 with the U. S.
Department of Energy. The publisher by accepting the manuscript for
publication acknowledges that the United States Government retains a
non-exclusive, paid-up, irrevocable, world-wide license to publish or
reproduce the published form of this manuscript, or allow others to do
so, for United States Government purposes. This work was supported by
the International Collaborative Energy Technology R& D Program of the
Korea Institute of Energy Technology Evaluation and Planning (KETEP),
granted financial resource from the Ministry of Trade, Industry &
Energy, Republic of Korea (No. 20158520030830). Authors from Columbia
University acknowledge the U.S. Department of Energy (DE-FG02-13ER16381)
for the support.
NR 26
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U1 15
U2 15
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 2017
VL 53
IS 10
BP 1660
EP 1663
DI 10.1039/c6cc08709d
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA EM6SC
UT WOS:000395441400022
PM 28098274
ER
PT J
AU Yang, MX
Hood, ZD
Yang, X
Chi, MF
Xia, YN
AF Yang, Miaoxin
Hood, Zachary D.
Yang, Xuan
Chi, Miaofang
Xia, Younan
TI Facile synthesis of Ag@Au core-sheath nanowires with greatly improved
stability against oxidation
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID SILVER NANOPARTICLES; TRANSPARENT ELECTRODES; GALVANIC REPLACEMENT;
FILMS; CONDUCTORS
AB We report a facile synthesis of Ag@Au core-sheath nanowires through the conformal deposition of Au atoms onto the surface of pre-synthesized Ag nanowires. The resulting Ag@Au nanowires showed morphology and optical properties almost identical to the pristine Ag nanowires, but with greatly improved stability under different corrosive environments.
C1 [Yang, Miaoxin; Hood, Zachary D.; Xia, Younan] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA.
[Hood, Zachary D.; Chi, Miaofang] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Yang, Xuan; Xia, Younan] Georgia Inst Technol, Wallace H Coulter Dept Biomed Engn, Atlanta, GA 30332 USA.
[Yang, Xuan; Xia, Younan] Emory Univ, Atlanta, GA 30332 USA.
RP Xia, YN (reprint author), Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA.; Xia, YN (reprint author), Georgia Inst Technol, Wallace H Coulter Dept Biomed Engn, Atlanta, GA 30332 USA.; Xia, YN (reprint author), Emory Univ, Atlanta, GA 30332 USA.
EM younan.xia@bme.gatech.edu
FU Georgia Tech; National Science Foundation [DGE-1148903]
FX This work was supported by startup funds from Georgia Tech. The EM
analysis was completed at the Centre for Nano-phase Materials Sciences,
which is a DOE Office of Science User Facility. ZDH gratefully
acknowledges a Graduate Research Fellowship award from the National
Science Foundation (DGE-1148903).
NR 24
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U1 5
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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 2017
VL 53
IS 12
BP 1965
EP 1968
DI 10.1039/c6cc09878a
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA EM9IF
UT WOS:000395624400008
PM 28119979
ER
PT J
AU El Idrissi, M
Teat, SJ
Corvini, PFX
Paterson, MJ
Dalgarno, SJ
Shahgaldian, P
AF El Idrissi, Mohamed
Teat, Simon J.
Corvini, Philippe F. -X.
Paterson, Martin J.
Dalgarno, Scott J.
Shahgaldian, Patrick
TI Template-free hierarchical self-assembly of a pyrene derivative into
supramolecular nanorods
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID TRANSFORMATION; NANOSTRUCTURES; NANOTUBES; OLIGOMERS
AB The accurate molecular design of organic building blocks is of great importance for the creation of large supramolecular entities with precise dimensional organisation. Herein we report on the design of a new pyrene derivative that yields, through a hierarchical self-assembly process and in the absence of template, stable and well defined nanorods. X-ray diffraction studies allowed elucidation of the three dimensional packing of this pyrene derivative within the self-assembled nanorods.
C1 [El Idrissi, Mohamed; Corvini, Philippe F. -X.; Shahgaldian, Patrick] Univ Appl Sci & Arts Northwestern Switzerland, Sch Life Sci, Grundenstr 40, CH-4132 Muttenz, Switzerland.
[Teat, Simon J.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Paterson, Martin J.; Dalgarno, Scott J.] Heriot Watt Univ, Inst Chem Sci, Edinburgh EH14 4AS, Midlothian, Scotland.
RP Shahgaldian, P (reprint author), Univ Appl Sci & Arts Northwestern Switzerland, Sch Life Sci, Grundenstr 40, CH-4132 Muttenz, Switzerland.; Dalgarno, SJ (reprint author), Heriot Watt Univ, Inst Chem Sci, Edinburgh EH14 4AS, Midlothian, Scotland.
EM S.J.Dalgarno@hw.ac.uk; patrick.shahgaldian@fhnw.ch
FU Office of Science, Office of Basic Energy Sciences, of the US Department
of Energy [DE-AC02-05CH11231]
FX The Advanced Light Source 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.
NR 27
TC 0
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U1 2
U2 2
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 2017
VL 53
IS 12
BP 1973
EP 1976
DI 10.1039/c6cc09731f
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA EM9IF
UT WOS:000395624400010
PM 28119975
ER
PT J
AU Moonshiram, D
Picon, A
Vazquez-Mayagoitia, A
Zhang, XY
Tu, MF
Garrido-Barros, P
Mahy, JP
Avenier, F
Aukauloo, A
AF Moonshiram, Dooshaye
Picon, Antonio
Vazquez-Mayagoitia, Alvaro
Zhang, Xiaoyi
Tu, Ming-Feng
Garrido-Barros, Pablo
Mahy, Jean-Pierre
Avenier, Frederic
Aukauloo, Ally
TI Elucidating light-induced charge accumulation in an artificial analogue
of methane monooxygenase enzymes using time-resolved X-ray absorption
spectroscopy
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID METHYLOCOCCUS-CAPSULATUS BATH; PROTON REDUCTION CATALYST; DIIRON OXO
PROTEINS; HYDROXYLASE COMPONENT; DIOXYGEN ACTIVATION; IRON ENZYMES;
SUBSTRATE; BINDING; MODELS; SITE
AB We report the use of time-resolved X-ray absorption spectroscopy in the ns-mu s time scale to track the light induced two electron transfer processes in a multi-component photocatalytic system, consisting of [Ru(bpy)(3)](2+)/a diiron(III, III) model/triethylamine. EXAFS analysis with DFT calculations confirms the structural configurations of the diiron(III, III) and reduced diiron(II, II) states.
C1 [Moonshiram, Dooshaye; Picon, Antonio; Tu, Ming-Feng] Chem Sci & Engn Div, 9700 S Cass Ave, Lemont, IL 60439 USA.
[Vazquez-Mayagoitia, Alvaro] Argonne Leadership Comp Facil, 9700 S Cass Ave, Lemont, IL 60439 USA.
[Zhang, Xiaoyi] Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Lemont, IL 60439 USA.
[Garrido-Barros, Pablo] Inst Chem Res Catalonia ICIQ, Avgda Paisos Catalans 16, Tarragona 43007, Spain.
[Mahy, Jean-Pierre; Avenier, Frederic; Aukauloo, Ally] Univ Paris 11, Inst Chim Mol & Mat Orsay, CNRS, UMR 8182, Bat 420,Rue Doyen G Poitou, F-91405 Orsay, France.
[Aukauloo, Ally] CEA, Serv Bioenerget Biol Struct & Mecanismes SB2SM, IBiTec S Biochim Biophys & Biol Struct B3S, I2BC,UMR 9198, F-91191 Gif Sur Yvette, France.
RP Moonshiram, D (reprint author), Chem Sci & Engn Div, 9700 S Cass Ave, Lemont, IL 60439 USA.
EM dmoonshi@gmail.com
FU Department of Energy, Office of Basic Energy Sciences, Chemical
Sciences, Geosciences and Biosciences Division [DE-AC02-06CH11357];
LABEX CHARMMAT
FX This work was supported by the Department of Energy, Office of Basic
Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division
(contract no. DE-AC02-06CH11357), and by LABEX CHARMMAT. This research
used the resources of the Advanced Photon Source, a U. S. DOE Office of
Science User Facility, at Argonne National Laboratory (ANL). We thank Dr
Bostedt (ANL) for fruitful discussions. P. G. B thanks "La Caixa''
foundation for a PhD grant.
NR 28
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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 2017
VL 53
IS 18
BP 2725
EP 2728
DI 10.1039/c6cc08748e
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA EN3BI
UT WOS:000395883600018
PM 28198893
ER
PT J
AU Williams, NJ
Dehaudt, J
Bryantsev, VS
Luo, HM
Abney, CW
Dai, S
AF Williams, Neil J.
Dehaudt, Jeremy
Bryantsev, Vyacheslav S.
Luo, Huimin
Abney, Carter W.
Dai, Sheng
TI Selective separation of americium from europium using
2,9-bis(triazine)-1,10-phenanthrolines in ionic liquids: a new twist on
an old story
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID RARE-EARTH IONS; SOLVENT-EXTRACTION; COMPLEXATION; LIGANDS; AM(III);
SPECTROSCOPY; LANTHANIDES; DERIVATIVES; ELECTRICITY; MECHANISM
AB Bis-triazine phenanthrolines have shown great promise for f-block metal separations, attributable to their highly preorganized structure, nitrogen donors, and more enhanced covalent bonding with actinides over lanthanides. However, their limited solubility in traditional solvents remains a technological bottleneck. Herein we report our recent work using a simple 2,9-bis(triazine)-1,10-phenanthroline (Me-BTPhen) dissolved in an ionic liquid (IL), demonstrating the efficacy of IL extraction systems for the selective separation of americium from europium, achieving separation factors in excess of 7500 and selectively removing up to 99% of the americium. Characterization of the coordination environment was performed using a combination of X-ray absorption fine structure spectroscopy (XAFS) and density functional theory (DFT) calculations.
C1 [Williams, Neil J.; Dehaudt, Jeremy; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37916 USA.
[Williams, Neil J.; Bryantsev, Vyacheslav S.; Abney, Carter W.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Luo, Huimin] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA.
RP Dai, S (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37916 USA.; Abney, CW; Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.; Luo, HM (reprint author), Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA.
EM luoh@ornl.gov; abneycw@ornl.gov; dais@ornl.gov
OI Abney, Carter/0000-0002-1809-9577; , Sheng/0000-0002-8046-3931
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]; U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-76SF00515]; U.S. Department of Energy [DE-AC05-00OR22725];
Department of Energy
FX The authors would like to thank three anonymous reviewers for their
insightful review of this manuscript. This research was supported
financially 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, a DOE Office of Science User Facility supported by the
Office of Science of the U.S. Department of Energy under Contract No.
DE-AC02-05CH11231. Use of the Stanford Synchrotron Radiation
Lightsource, SLAC National Accelerator Laboratory, is supported by the
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences under Contract No. DE-AC02-76SF00515. This manuscript has been
authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with
the U.S. Department of Energy. The United States Government retains and
the publisher, by accepting the article for publication, acknowledges
that the United States Government retains a non-exclusive, paid-up,
irrevocable, worldwide license to publish or reproduce the published
form of this manuscript, or allow others to do so, for United States
Government purposes. The Department of Energy will provide public access
to these results of federally sponsored research in accordance with the
DOE Public Access Plan
(http://energy.gov/downloads/doe-public-access-plan).
NR 35
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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 2017
VL 53
IS 18
BP 2744
EP 2747
DI 10.1039/c6cc09823a
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA EN3BI
UT WOS:000395883600023
PM 28203676
ER
PT J
AU Sykes, VR
Allen, FL
DeSantis, AC
Saxton, AM
Bhandari, HS
West, DR
Hughes, EW
Bobbitt, ME
Benelli, VG
AF Sykes, Virginia R.
Allen, Fred L.
DeSantis, Alexandria C.
Saxton, Arnold M.
Bhandari, Hem S.
West, Dennis R.
Hughes, Eifion W.
Bobbitt, Matthew E.
Benelli, Victoria G.
TI Efficiency of Spaced-Plant Selection in Improving Sward Biomass and
Ethanol Yield in Switchgrass
SO CROP SCIENCE
LA English
DT Article
ID COMPETITION LEVEL INTERACTIONS; PANICUM-VIRGATUM L.; HALF-SIB FAMILIES;
LOLIUM-PERENNE; LOWLAND SWITCHGRASS; FORAGE YIELD; SEED; PERFORMANCE;
CONVERSION; CULTIVARS
AB Switchgrass (Panicum virgatum L.) is an important emerging biofuel crop. In breeding nurseries, plants are typically widely spaced; however, production is in densely planted swards. This disconnect may hinder cultivar improvement. This study measured the efficiency of lowdensity, spaced-plant selection on improving biomass and ethanol yield in a high-density, simulated sward. Fifty-six full-sib families were clonally replicated in two adjacent nurseries in Knoxville, TN. The spaced-plant nursery consisted of single plants on 1-m centers. The simulated-sward nursery was created by planting four by seven plants on 0.33-m centers with 1-m alleys. In 2013 and 2014, biomass yield, ethanol yield, and morphological traits were evaluated. Trait means, correlations, and efficiency of indirect selection (E) were calculated. Significant interaction (p < 0.05) between year and nursery was observed for all traits except ethanol yield. The identified high-yielding ideotype differed between biomass and ethanol yield and between spaced-plant and simulated-sward nurseries. Selection under spaced-plant conditions for simulated-sward performance was efficient for ethanol yield (E = 0.96) but highly inefficient for biomass yield (E = -0.31). Several morphological traits evaluated under spaced-plant conditions were identified as efficient indirect selectors for simulated-sward biomass or ethanol yield. Results suggest selections for sward biomass yield may be more appropriate under sward-like conditions, but that spaced-plant nurseries are efficient for selection of ethanol yield performance under sward-like conditions and for indirect selection of sward yield traits using morphological traits.
C1 [Sykes, Virginia R.; Allen, Fred L.; DeSantis, Alexandria C.; Bhandari, Hem S.; West, Dennis R.; Hughes, Eifion W.; Bobbitt, Matthew E.; Benelli, Victoria G.] Univ Tennessee, Dept Plant Sci, 252 Ellington Plant Sci,2431 Joe Johnson Dr, Knoxville, TN 37996 USA.
[DeSantis, Alexandria C.] Seminis Vegetable Seeds Inc, Oxnard, CA USA.
[Saxton, Arnold M.] Univ Tennessee, Dept Anim Sci, 2506 River Dr, Knoxville, TN 37996 USA.
[Hughes, Eifion W.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Bobbitt, Matthew E.] Northern Seed LLC, Vernon, TX USA.
RP Sykes, VR (reprint author), Univ Tennessee, Dept Plant Sci, 252 Ellington Plant Sci,2431 Joe Johnson Dr, Knoxville, TN 37996 USA.
EM vsykes@utk.edu
NR 55
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PU CROP SCIENCE SOC AMER
PI MADISON
PA 677 S SEGOE ROAD, MADISON, WI 53711 USA
SN 0011-183X
EI 1435-0653
J9 CROP SCI
JI Crop Sci.
PD JAN-FEB
PY 2017
VL 57
IS 1
BP 253
EP 263
DI 10.2135/cropsci2016.07.0596
PG 11
WC Agronomy
SC Agriculture
GA EO0HL
UT WOS:000396378800024
ER
PT J
AU Pilgrim, CD
Callahan, JR
Colla, CA
Ohlin, CA
Mason, HE
Casey, WH
AF Pilgrim, C. D.
Callahan, J. R.
Colla, C. A.
Ohlin, C. A.
Mason, H. E.
Casey, W. H.
TI Al-27 MQMAS of the delta-Al-13-Keggin
SO DALTON TRANSACTIONS
LA English
DT Article
ID ELECTRIC-FIELD-GRADIENT; SOLID-STATE NMR; CRYSTAL-STRUCTURE; EXACT
EXCHANGE; MAS NMR; ALUMINUM; KEGGIN; ZUNYITE; ISOMERIZATION;
SPECTROSCOPY
AB One-dimensional Al-27, Na-23 Magic-Angle-Spinning (MAS) NMR and Al-27 Multiple-Quantum Magic-Angle-Spinning NMR (MQMAS) measurements are reported for the delta-isomer of the Al-13 Keggin structure at high spinning speed and 14.1 T field. Values for the C-Q and eta parameters are on the same scale as those seen in other isomers of the Al-13 structure. Density functional theory (DFT) calculations are performed for comparison to the experimental fits using the B3PW91/6-31+G* and PBE0/6-31+G* levels of theory, with the Polarizable Continuum Model (PCM).
C1 [Pilgrim, C. D.; Callahan, J. R.; Casey, W. H.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA.
[Colla, C. A.; Casey, W. H.] Univ Calif Davis, Dept Earth & Planetary Sci, Davis, CA 95616 USA.
[Ohlin, C. A.] Umea Univ, Dept Chem, Umea, Sweden.
[Mason, H. E.] Lawrence Livermore Natl Lab, Livermore, CA USA.
RP Casey, WH (reprint author), Univ Calif Davis, Dept Chem, Davis, CA 95616 USA.; Casey, WH (reprint author), Univ Calif Davis, Dept Earth & Planetary Sci, Davis, CA 95616 USA.
EM whcasey@ucdavis.edu
FU NSF CCI, Center for Sustainable Materials Chemistry [NSF CHE-1606982];
LLNL [DE-AC52-07NA27344]
FX The authors would like to thank Prof. Tori Forbes (University of Iowa)
for help with the synthesis of the delta-Al13 and Prof. Brian
Phillips (Stony Brook University) for suggesting this project.
Experimental and computational work was supported by NSF CCI, Center for
Sustainable Materials Chemistry (NSF CHE-1606982). This work was
prepared by LLNL under contract DE-AC52-07NA27344. Images of the
clusters were created using the VESTA software package. 45
Finally, the authors thank two perceptive referees for useful
suggestions.
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PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
EI 1477-9234
J9 DALTON T
JI Dalton Trans.
PY 2017
VL 46
IS 7
BP 2249
EP 2254
DI 10.1039/c6dt04263e
PG 6
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA EN2TX
UT WOS:000395864200023
PM 28128830
ER
PT J
AU Liu, JB
Chen, GP
Huang, W
Clark, DL
Schwarz, WHE
Li, J
AF Liu, Jian-Biao
Chen, Guo P.
Huang, Wei
Clark, David L.
Schwarz, W. H. Eugen
Li, Jun
TI Bonding trends across the series of tricarbonato-actinyl anions
[(AnO(2))(CO3)(3)](4-) (An = U-Cm): the plutonium turn
SO DALTON TRANSACTIONS
LA English
DT Article
ID MOLECULAR-DYNAMICS SIMULATIONS; AQUEOUS-SOLUTION; ELECTRONIC-STRUCTURE;
OXIDATION-STATES; BASIS-SETS; STRUCTURAL-CHARACTERIZATION; CARBONATE
ADSORPTION; ALKALINE CONDITIONS; CONTAMINATED SOILS; QUANTUM-CHEMISTRY
AB Actinyl-tricarbonato anions [(AnO(2))(CO3)(3)](4-) (An = U-Cm) in various environments were investigated using theoretical approaches of quantum-mechanics, molecular-mechanics and cluster-models. Cations and solvent molecules in the 2nd coordination sphere affect the equatorial An <- O-eq bonds more than the axial An = O-ax bonds. Common actinide contraction is found for calculated and experimental axial bond lengths of U-92 to Pu-94, though no longer for Pu-94 to Cm-96. The tendency of U to Pu forming actinyl(VI) species dwindles away toward Cm, which already features the preferred An(III)/Ln(III) oxidation state of the later actinides and all lanthanides. The well known change from d-type to typical U-Pu-Cm type and then to f-type behavior is labeled as the plutonium turn, a phenomenon that is caused by f-orbital energy-decrease and f-orbital localization with increase of both nuclear charge and oxidation state, and a non-linear variation of effective f-electron population across the actinide series. Both orbital and configuration mixing and occupation of antibonding 5f type orbitals increase, weakening the AnO(ax) bonds and reducing the highest possible oxidation states of the later actinides.
C1 [Liu, Jian-Biao] Shandong Normal Univ, Collaborat Innovat Ctr Functionalized Probes Chem, Coll Chem Chem Engn & Mat Sci, Jinan 250014, Peoples R China.
[Liu, Jian-Biao; Chen, Guo P.; Huang, Wei; Schwarz, W. H. Eugen; Li, Jun] Tsinghua Univ, Dept Chem, Minist Educ, Beijing 100084, Peoples R China.
[Liu, Jian-Biao; Chen, Guo P.; Huang, Wei; Schwarz, W. H. Eugen; Li, Jun] Tsinghua Univ, Key Lab Organ Optoelect & Mol Engn, Minist Educ, Beijing 100084, Peoples R China.
[Clark, David L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Schwarz, W. H. Eugen] Univ Siegen, Phys & Theoret Chem, D-57068 Siegen, Germany.
[Li, Jun] Pacific Northwest Natl Lab, Environml Mol Sci Lab, Richland, WA 99352 USA.
RP Li, J (reprint author), Tsinghua Univ, Dept Chem, Minist Educ, Beijing 100084, Peoples R China.; Li, J (reprint author), Tsinghua Univ, Key Lab Organ Optoelect & Mol Engn, Minist Educ, Beijing 100084, Peoples R China.; Li, J (reprint author), Pacific Northwest Natl Lab, Environml Mol Sci Lab, Richland, WA 99352 USA.
EM junli@tsinghua.edu.cn
OI Liu, Jian-Biao /0000-0002-2550-3355
FU Science Challenge Project [JCKY2016212A504]; National Natural Science
Foundation of China (NSFC) [21601110, 91426302, 21433005]; U.S.
Department of Energy's Office of Biological and Environmental Research;
Division of Chemical Sciences Geosciences, and Biosciences, Office of
Basic Energy Science, U.S. Department of Energy
FX We thank T. E. Albrecht-Schmitt and two unknown referees for many
constructive notes. This work was financially supported by the Science
Challenge Project (No. JCKY2016212A504) and by the National Natural
Science Foundation of China (NSFC No. 21601110, 91426302, 21433005). The
calculations were performed at the Supercomputer Center of the Computer
Network Information Center, Chinese Academy of Sciences, and Tsinghua
National Laboratory for Information Science and Technology, China. A
portion of the calculations 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 the
Pacific Northwest National Laboratory, USA. DLC acknowledges financial
support from the Division of Chemical Sciences Geosciences, and
Biosciences, Office of Basic Energy Science, U.S. Department of Energy.
NR 128
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PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
EI 1477-9234
J9 DALTON T
JI Dalton Trans.
PY 2017
VL 46
IS 8
BP 2542
EP 2550
DI 10.1039/c6dt03953g
PG 9
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA EN2UE
UT WOS:000395864900018
PM 28154870
ER
PT J
AU Phillips, KA
Wambaugh, JF
Grulke, CM
Dionisio, KL
Isaacs, KK
AF Phillips, Katherine A.
Wambaugh, John F.
Grulke, Christopher M.
Dionisio, Kathie L.
Isaacs, Kristin K.
TI High-throughput screening of chemicals as functional substitutes using
structure-based classification models
SO GREEN CHEMISTRY
LA English
DT Article
ID ENVIRONMENTAL CHEMICALS; QSAR MODELS; EXPOSURE; SELECTION;
PRIORITIZATION; ALTERNATIVES; PARAMETERS; SOLVENTS; PROJECT
AB Identifying chemicals that provide a specific function within a product, yet have minimal impact on the human body or environment, is the goal of most formulation chemists and engineers practicing green chemistry. We present a methodology to identify potential chemical functional substitutes from large libraries of chemicals using machine learning based models. We collect and analyze publicly available information on the function of chemicals in consumer products or industrial processes to identify a suite of harmonized function categories suitable for modeling. We use structural and physicochemical descriptors for these chemicals to build 41 quantitative structure-use relationship (QSUR) models for harmonized function categories using random forest classification. We apply these models to screen a library of nearly 6400 chemicals with available structure information for potential functional substitutes. Using our Functional Use database (FUse), we could identify uses for 3121 chemicals; 4412 predicted functional uses had a probability of 80% or greater. We demonstrate the potential application of the models to high-throughput (HT) screening for "candidate alternatives" by merging the valid functional substitute classifications with hazard metrics developed from HT screening assays for bioactivity. A descriptor set could be obtained for 6356 Tox21 chemicals that have undergone a battery of HT in vitro bioactivity screening assays. By applying QSURs, we were able to identify over 1600 candidate chemical alternatives. These QSURs can be rapidly applied to thousands of additional chemicals to generate HT functional use information for combination with complementary HT toxicity information for screening for greener chemical alternatives.
C1 [Phillips, Katherine A.] ORISE, Oak Ridge, TN 37830 USA.
[Wambaugh, John F.; Grulke, Christopher M.] US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA.
[Phillips, Katherine A.; Dionisio, Kathie L.; Isaacs, Kristin K.] US EPA, Natl Exposure Res Lab, Off Res & Dev, Res Triangle Pk, NC 27711 USA.
RP Phillips, KA (reprint author), ORISE, Oak Ridge, TN 37830 USA.; Phillips, KA (reprint author), US EPA, Natl Exposure Res Lab, Off Res & Dev, Res Triangle Pk, NC 27711 USA.
EM phillips.katherine@epa.gov
OI Phillips, Katherine/0000-0001-5703-0698
FU United States Environmental Protection Agency, through its Office of
Research and Development's Chemical Safety for Sustainability research
program
FX The United States Environmental Protection Agency, through its Office of
Research and Development's Chemical Safety for Sustainability research
program, provided funding and managed the research described here. This
research was supported in part by an appointment to the Postdoctoral
Research Program at the National Exposure Research Laboratory,
administered by the Oak Ridge Institute for Science and Education
through Interagency Agreement No. DW-89-92298301-0 between the U.S.
Department of Energy and the U.S. Environmental Protection Agency. The
views expressed in this article are those of the authors and do not
necessarily represent the views or policies of the U.S. Environmental
Protection Agency. Reference to commercial products or services does not
constitute endorsement. The authors would like to thank Drs Brandall
Ingle and Antony Williams for their helpful review of the manuscript.
NR 40
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PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9262
EI 1463-9270
J9 GREEN CHEM
JI Green Chem.
PY 2017
VL 19
IS 4
BP 1063
EP 1074
DI 10.1039/c6gc02744j
PG 12
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA EN2UU
UT WOS:000395866600023
ER
PT J
AU Tao, L
Markham, JN
Haq, Z
Biddy, MJ
AF Tao, Ling
Markham, Jennifer N.
Haq, Zia
Biddy, Mary J.
TI Techno-economic analysis for upgrading the biomass-derived
ethanol-to-jet blendstocks
SO GREEN CHEMISTRY
LA English
DT Article
ID TRANSPORTATION FUELS; HIGHLY EFFICIENT; BIO-ETHANOL; ETHYLENE;
HYDROISOMERIZATION; OLIGOMERIZATION; CONVERSION; CATALYSTS; ALKANES;
GASIFICATION
AB This study summarizes the detailed techno-economic analysis of the ethanol-to-jet (ETJ) process based on two different feedstocks (corn grain and corn stover) at the plant scale of 2000 dry metric tons per day. Ethanol biologically derived from biomass is upgraded catalytically to jet blendstocks via alcohol dehydration, olefin oligomerization, and hydrotreating. In both pathways, corn-grain-derived ethanol to jet (corn mill ETJ) and corn-stover-derived ethanol to jet (corn stover ETJ), there are portions of gasoline and diesel produced as coproducts. Two cost bases are used in this study: the minimum jet fuel selling prices (MJSP) for jet-range blendstocks and the minimum fuel selling prices (MFSP) for all the hydrocarbons (gasoline, jet, and diesel) produced using a gallon gasoline equivalent (GGE) basis. The nth-plant MJSPs for the two pathways are estimated to be $4.20 per gal for corn mill and $6.14 per gal for corn stover, while MFSPs are $3.91 per GGE for corn mill and $5.37 per GGE for corn stover. If all of the hydrocarbon products (gasoline, jet, and diesel ranges) can be considered as fuel blendstocks using a GGE basis, the total hydrocarbon yield for fuel blendstock is 49.6 GGE per dry ton biomass for corn stover and 71.0 GGE per dry ton biomass for corn grain. The outcome of this study shows that the renewable jet fuel could be cost competitive with fossil derived jet fuel if further improvements could be made to increase process yields (particularly yields of sugars, sugar to ethanol, and ethanol to hydrocarbons), research and development of sustainable feedstocks, and more effective catalytic reaction kinetics. Pioneer plant analysis, which considers the increased capital investment and the decreased plant performance over the nth-plant analysis, is also performed, showing a potential 31%-178% increase in cost compared to the nth-plant assumptions for the dry mill pathway, but with a much wider range of 69%-471% cost increase over the nth-plant assumptions for the corn stover pathway. While there are large differences between the estimated first of a kind plant cost and the targeted nth-plant case, reduction of costs is possible through improvement of the overall process efficiency, yields, reduction in overall capital, co-product revenues and strategically improve performance by process learnings.
C1 [Tao, Ling; Markham, Jennifer N.; Biddy, Mary J.] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
[Haq, Zia] US DOE, Off Energy Efficiency & Renewable Energy, 1000 Independence Ave, Washington, DC 20585 USA.
RP Tao, L (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM Ling.Tao@nrel.gov
FU U.S. Department of Energy Bioenergy Technologies Office
[DE-AC36-08GO28308]; National Renewable Energy Laboratory
FX The work was supported by the U.S. Department of Energy Bioenergy
Technologies Office under Contract No. DE-AC36-08GO28308 with the
National Renewable Energy Laboratory. We appreciate all the editing help
from our technical editors, Kathy L. Cisar and Sara M. Havig.
NR 124
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PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9262
EI 1463-9270
J9 GREEN CHEM
JI Green Chem.
PY 2017
VL 19
IS 4
BP 1082
EP 1101
DI 10.1039/c6gc02800d
PG 20
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA EN2UU
UT WOS:000395866600025
ER
PT J
AU Papa, G
Kirby, J
Konda, NVSNM
Tran, K
Singh, S
Keasling, JD
Peter, GF
Simmons, BA
AF Papa, Gabriella
Kirby, James
Konda, N. V. S. N. Murthy
Kim Tran
Singh, Seema
Keasling, Jay D.
Peter, Gary F.
Simmons, Blake A.
TI Development of an integrated approach for alpha-pinene recovery and
sugar production from loblolly pine using ionic liquids
SO GREEN CHEMISTRY
LA English
DT Article
ID ENZYMATIC DIGESTIBILITY; CELLULOSIC ETHANOL; SCOTS PINE;
ESCHERICHIA-COLI; COMPRESSION WOOD; PRETREATMENT; SACCHARIFICATION;
EUCALYPTUS; CONVERSION; CHEMISTRY
AB In the southeastern US, loblolly pine (Pinus taeda L.) is widely used as a feedstock in the wood, pulp and paper industry. In loblolly pine, the oleoresin is composed of terpenes and has long been a valuable source for a variety of chemicals, and has recently attracted interest from a biofuel perspective for the production of advanced cellulosic biofuels. To date, there have been very few examples where a single conversion process has enabled recovery of both terpenes and fermentable sugars in an integrated fashion. We have used the ionic liquid (IL), 1-ethyl-3-methylimidazolium acetate [C(2)C(1)Im][OAc] at 120 degrees C and 160 degrees C in conjunction with analytical protocols using GC-MS, to extract alpha-pinene and simultaneously pretreat the pine to generate high yields of fermentable sugars after saccharification. Compared to solvent extraction, the IL process enabled higher recovery rates for alpha-pinene, from three tissues type of loblolly pine, i.e. pine chips from forest residues (FC), stems from young pine (YW) and lighter wood (LW), while also generating high yields of fermentable sugars following saccharification. We propose that this combined terpene extraction/lignocellulose pretreatment approach may provide a compelling model for a biorefinery, reducing costs and increasing commercial viability. Our preliminary techno-economic analysis (TEA) revealed that the alpha-pinene recovery based on hexane extraction after IL pretreatment could reduce the minimum ethanol selling price (MESP) of ethanol generated from fermentation of sugars recovered from pine by $0.6-1.0 per gal.
C1 [Papa, Gabriella; Kirby, James; Keasling, Jay D.] Univ Calif Berkeley, Calif Inst Quantitat Biosci QB3, Berkeley, CA 94720 USA.
[Papa, Gabriella; Konda, N. V. S. N. Murthy; Kim Tran; Singh, Seema; Keasling, Jay D.; Simmons, Blake A.] Joint BioEnergy Inst, 5885 Hollis St, Emeryville, CA 94608 USA.
[Konda, N. V. S. N. Murthy; Keasling, Jay D.; Simmons, Blake A.] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Kim Tran; Singh, Seema] Sandia Natl Labs, Biol & Engn Sci Ctr, 7011 East Ave, Livermore, CA USA.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA.
[Keasling, Jay D.] Tech Univ Denmark, Novo Nordisk Fdn Ctr Biosustainabil, Kogle Alle, DK-2970 Horsholm, Denmark.
[Peter, Gary F.] Univ Florida, Sch Forest Resources & Conservat, Gainesville, FL USA.
RP Simmons, BA (reprint author), Joint BioEnergy Inst, 5885 Hollis St, Emeryville, CA 94608 USA.; Simmons, BA (reprint author), Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM basimmons@lbl.gov
FU Office of Science, Office of Biological and Environmental Research, of
the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of
Energy [DE-AR0000209]
FX The work conducted through the Joint BioEnergy Institute was supported
by the Office of Science, Office of Biological and Environmental
Research, of the U.S. Department of Energy under contract no.
DE-AC02-05CH11231. The work conducted through the University of
California, Berkeley, was funded through the U.S. Department of Energy
ARPA-E PETRO program, under grant no. DE-AR0000209. Authors are grateful
to Novozymes, Franklinton, NC, USA for providing CTec2 and HTec2.
NR 53
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U2 1
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9262
EI 1463-9270
J9 GREEN CHEM
JI Green Chem.
PY 2017
VL 19
IS 4
BP 1117
EP 1127
DI 10.1039/c6gc02637k
PG 11
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA EN2UU
UT WOS:000395866600028
ER
PT J
AU Li, YL
Leow, S
Fedders, AC
Sharma, BK
Guest, JS
Strathmann, TJ
AF Li, Yalin
Leow, Shijie
Fedders, Anna C.
Sharma, Brajendra K.
Guest, Jeremy S.
Strathmann, Timothy J.
TI Quantitative multiphase model for hydrothermal liquefaction of algal
biomass
SO GREEN CHEMISTRY
LA English
DT Article
ID WASTE-WATER TREATMENT; PROTEIN CONVERSION FACTORS; BIO-CRUDE OIL;
SUBCRITICAL WATER; NANNOCHLOROPSIS SP; BIOFUEL PRODUCTION; BIOCRUDE OIL;
CHLORELLA-PYRENOIDOSA; SUPERCRITICAL WATER; PRODUCT FRACTIONS
AB Optimized incorporation of hydrothermal liquefaction (HTL, reaction in water at elevated temperature and pressure) within an integrated biorefinery requires accurate models to predict the quantity and quality of all HTL products. Existing models primarily focus on biocrude product yields with limited consideration for biocrude quality and aqueous, gas, and biochar co-products, and have not been validated with an extensive collection of feedstocks. In this study, HTL experiments (300 degrees C, 30 min) were conducted using 24 different batches of microalgae feedstocks with distinctive feedstock properties, which resulted in a wide range of biocrude (21.3-54.3 dry weight basis, dw%), aqueous (4.6-31.2 dw%), gas (7.1-35.6 dw%), and biochar (1.3-35.0 dw%) yields. Based on these results, a multiphase component additivity (MCA) model was introduced to predict yields and characteristics of the HTL biocrude product and aqueous, gas, and biochar co-products, with only feedstock biochemical (lipid, protein, carbohydrate, and ash) and elemental (C/H/N) composition as model inputs. Biochemical components were determined to distribute across biocrude product/HTL co-products as follows: lipids to biocrude; proteins to biocrude > aqueous > gas; carbohydrates to gas approximate to biochar > biocrude; and ash to aqueous > biochar. Modeled quality indicators included biocrude C/H/N contents, higher heating value (HHV), and energy recovery (ER); aqueous total organic carbon (TOC) and total nitrogen (TN) contents; and biochar carbon content. The model was validated with HTL data from the literature, the potential to expand the application of this modeling framework to include waste biosolids (e. g., wastewater sludge, manure) was explored, and future research needs for industrial application were identified. Ultimately, the MCA model represents a critical step towards the integration of cultivation models with downstream HTL and biorefinery operations to enable system-level optimization, valorization of co-product streams (e. g., through catalytic hydrothermal gasification and nutrient recovery), and the navigation of tradeoffs across the value chain.
C1 [Li, Yalin; Leow, Shijie; Strathmann, Timothy J.] Colorado Sch Mines, Dept Civil & Environm Engn, Golden, CO 80401 USA.
[Leow, Shijie; Fedders, Anna C.; Guest, Jeremy S.] Univ Illinois, Dept Civil & Environm Engn, Urbana, IL 61801 USA.
[Sharma, Brajendra K.] Univ Illinois, Illinois Sustainable Technol Ctr, Champaign, IL 61820 USA.
[Strathmann, Timothy J.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Strathmann, TJ (reprint author), Colorado Sch Mines, Dept Civil & Environm Engn, Golden, CO 80401 USA.; Strathmann, TJ (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM strthmnn@mines.edu
FU National Science Foundation (NSF) through the NSF Engineering Research
Center for Re-inventing the Nation's Urban Water Infrastructure
(ReNUWIt) [EEC-1028968]; NSF [CBET-1555549, CBET-1438667]; National
Research Foundation (NRF) Singapore under its NRF Environmental and
Water Technologies (EWT) PhD Scholarship Programme
FX Financial support was provided by National Science Foundation (NSF)
through the NSF Engineering Research Center for Re-inventing the
Nation's Urban Water Infrastructure (ReNUWIt; EEC-1028968) and NSF
awards CBET-1555549 and CBET-1438667. S. Leow is supported by the
National Research Foundation (NRF) Singapore under its NRF Environmental
and Water Technologies (EWT) PhD Scholarship Programme and administered
by the Environment and Water Industry Programme Office (EWI). Tao Dong,
Lieve Laurens, Nicholas Nagle, and Philip Pienkos (National Renewable
Energy Laboratory) are acknowledged for supply of selected feedstocks
and helpful discussion and feedback. Patrick Biller (Aarhus University)
is acknowledged for supply of selected feedstocks. John Scott and Susan
Barta (UIUC, ISTC) are acknowledged for providing analytical support.
NR 86
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PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9262
EI 1463-9270
J9 GREEN CHEM
JI Green Chem.
PY 2017
VL 19
IS 4
BP 1163
EP 1174
DI 10.1039/c6gc03294j
PG 12
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA EN2UU
UT WOS:000395866600033
ER
PT J
AU Lou, J
Smith, AM
Vorobeychik, Y
AF Lou, Jian
Smith, Andrew M.
Vorobeychik, Yevgeniy
TI Multidefender Security Games
SO IEEE INTELLIGENT SYSTEMS
LA English
DT Article
C1 [Lou, Jian] Vanderbilt Univ, Comp Sci, 221 Kirkland Hall, Nashville, TN 37235 USA.
[Smith, Andrew M.] Sandia Natl Labs, Davis, CA USA.
[Smith, Andrew M.] Univ Calif Davis, Comp Sci, Davis, CA 95616 USA.
[Vorobeychik, Yevgeniy] Vanderbilt Univ, Comp Sci & Comp Engn, 221 Kirkland Hall, Nashville, TN 37235 USA.
RP Lou, J (reprint author), Vanderbilt Univ, Comp Sci, 221 Kirkland Hall, Nashville, TN 37235 USA.
EM jian.lou@vanderbilt.edu; amsmit@sandia.gov;
yevgeniy.vorobeychik@vanderbilt.edu
NR 15
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U1 0
U2 0
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1541-1672
EI 1941-1294
J9 IEEE INTELL SYST
JI IEEE Intell. Syst.
PD JAN-FEB
PY 2017
VL 32
IS 1
BP 50
EP 60
PG 11
WC Computer Science, Artificial Intelligence; Engineering, Electrical &
Electronic
SC Computer Science; Engineering
GA EN2YA
UT WOS:000395875000008
ER
PT J
AU Sopori, B
Basnyat, P
Devayajanam, S
Tan, T
Upadhyaya, A
Tate, K
Rohatgi, A
Xu, H
AF Sopori, Bhushan
Basnyat, Prakash
Devayajanam, Srinivas
Tan, Teh
Upadhyaya, Ajay
Tate, Keith
Rohatgi, Ajeet
Xu, Han
TI Dissolution of Oxygen Precipitate Nuclei in n-Type CZ-Si Wafers to
Improve Their Material Quality: Experimental Results
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Charge carrier lifetime; chemical etching; optical furnace; silicon
solar cells; spatial diversity
ID CZOCHRALSKI-GROWN SILICON; NUCLEATION; DEFECTS; DIFFUSION; INTERFACE;
CRYSTALS; OXIDE
AB We present experimental results which show that oxygen-related precipitate nuclei (OPN) present in p-doped, n-type, Czochralski wafers can be dissolved using a flash-annealing process, yielding very high quality wafers for high-efficiency solar cells. Flash annealing consists of heating a wafer in an optical furnace to temperature between 1150 and 1250 degrees C for a short time. This process produces a large increase in the minority carrier lifetime (MCLT) and homogenizes each wafer. We have tested wafers from different axial locations of two ingots. All wafers reach nearly the same high value of MCLT. The OPN dissolution is confirmed by oxygen analysis using Fourier transform infrared spectra and injection-level dependence of MCLT.
C1 [Sopori, Bhushan; Basnyat, Prakash; Devayajanam, Srinivas] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Tan, Teh] Duke Univ, Durham, NC 27708 USA.
[Upadhyaya, Ajay; Tate, Keith; Rohatgi, Ajeet] Georgia Inst Technol, Atlanta, GA 30332 USA.
[Xu, Han] GT Adv Technol, Merrimack, NH 03054 USA.
RP Sopori, B (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM Bhushan.Sopori@nrel.gov; Prakash.basnyat@nrel.gov;
Srinivas.Devayajanam@nrel.gov; ttan@duke.edu;
ajay.upadhyaya@ece.gatech.edu; keith.tate@ece.gatech.edu;
ajeet.rohatgi@ece.gatech.edu; han.xu@gtat.com
FU Bay Area PV Consortium; Photovoltaic Manufacturing Consortium
FX This work was supported by in part by Bay Area PV Consortium and
Photovoltaic Manufacturing Consortium.
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PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2017
VL 7
IS 1
BP 97
EP 103
DI 10.1109/JPHOTOV.2016.2621345
PG 7
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA EN2JW
UT WOS:000395836800015
ER
PT J
AU Luo, W
Hacke, P
Singh, JP
Chai, J
Wang, Y
Ramakrishna, S
Aberle, AG
Khoo, YS
AF Luo, Wei
Hacke, Peter
Singh, Jai Prakash
Chai, Jing
Wang, Yan
Ramakrishna, Seeram
Aberle, Armin G.
Khoo, Yong Sheng
TI In-Situ Characterization of Potential-Induced Degradation in Crystalline
Silicon Photovoltaic Modules Through Dark I-V Measurements
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE In-situ dark I-V (DIV) characterization; module power temperature
coefficient; photovoltaic (PV) modules; potential-induced degradation
(PID); temperature correction
ID STACKING-FAULTS; SOLAR-CELLS; PERFORMANCE; EXPLANATION; STRESS
AB A temperature correction methodology for in-situ dark I-V (DIV) characterization of conventional p-type crystalline silicon photovoltaic (PV) modules undergoing potential-induced degradation (PID) is proposed. We observe that the DIV-derived module power temperature coefficient (gamma(dark)) varies as a function of the extent of PID. To investigate the relationship between gamma(dark) and DIV-derived module power (P-dark (T-s), measured in situ and at the stress temperature) two parameters are defined: change in the DIV-derived module temperature coefficient (Delta gamma(dark)) and DIV-derived module power degradation at the PID stress temperature (Delta P-dark (T-s)). It is determined that there is a linear relationship between Delta gamma(dark) and Delta P-dark (T-s). Based on this finding, we can easily determine the module gamma(dark) at various stages of PID by monitoring P-dark (T-s) in situ. We then further develop a mathematical model to translate P-dark (Ts) to that at 25 degrees C (P-dark (25 degrees C)), which is correlated with the module power measured at the standard testing conditions (P-STC). Our experiments demonstrate that, for various degrees of PID, the temperature correction methodology offers a relative accuracy of +/- 3% for predicting P-STC. Furthermore, it reduces the root-mean-square error (RMSE) by around 70%, compared with the P-STC estimation without the temperature correction.
C1 [Luo, Wei; Singh, Jai Prakash; Chai, Jing; Wang, Yan; Ramakrishna, Seeram; Aberle, Armin G.; Khoo, Yong Sheng] Solar Energy Res Inst Singapore, Singapore 117574, Singapore.
[Luo, Wei; Ramakrishna, Seeram] Natl Univ Singapore, Dept Mech Engn, Singapore 117575, Singapore.
[Hacke, Peter] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Aberle, Armin G.] Natl Univ Singapore, Dept Elect & Comp Engn, Singapore 117583, Singapore.
RP Luo, W (reprint author), Solar Energy Res Inst Singapore, Singapore 117574, Singapore.
EM serlw@nus.edu.sg; Peter.Hacke@nrel.gov; jaiprakash.singh@nus.edu.sg;
chai.jing@nus.edu.sg; yan.wang@nus.edu.sg; seeram@nus.edu.sg;
armin.aberle@nus.edu.sg; yong-shengkhoo@nus.edu.sg
FU National University of Singapore (NUS); National Research Foundation of
Singapore through the Singapore Economic Development Board; U.S.
Department of Energy [DE-AC36-08GO28308]; SuNLaMP program of the Office
of Energy Efficiency & Renewable Energy
FX The work at the Solar Energy Research Institute of Singapore was
supported by the National University of Singapore (NUS) and the National
Research Foundation of Singapore through the Singapore Economic
Development Board. The work at the National Renewable Energy Laboratory
(P. Hacke) was supported by the U.S. Department of Energy under Contract
No. DE-AC36-08GO28308. Funding was provided by the SuNLaMP program of
the Office of Energy Efficiency & Renewable Energy.
NR 16
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PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2017
VL 7
IS 1
BP 104
EP 109
DI 10.1109/JPHOTOV.2016.2621352
PG 6
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA EN2JW
UT WOS:000395836800016
ER
PT J
AU Simon, J
Schulte, KL
Jain, N
Johnston, S
Young, M
Young, MR
Young, DL
Ptak, AJ
AF Simon, John
Schulte, Kevin L.
Jain, Nikhil
Johnston, Steve
Young, Michelle
Young, Matthew R.
Young, David L.
Ptak, Aaron J.
TI Upright and Inverted Single-Junction GaAs Solar Cells Grown by Hydride
Vapor Phase Epitaxy
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Gallium arsenide; hydride vapor phase epitaxy (HVPE); photovoltaics
(PVs)
ID FREESTANDING GAN
AB Hydride vapor phase epitaxy (HVPE) is a low-cost alternative to conventional metal-organic vapor phase epitaxy (MOVPE) growth of III-V solar cells. In this work, we show continued improvement of the performance of HVPE-grown single-junction GaAs solar cells. We show over an order of magnitude improvement in the interface recombination velocity between GaAs and GaInP layers through the elimination of growth interrupts, leading to increased short-circuit current density and open-circuit voltage compared with cells with interrupts. One-sun conversion efficiencies as high as 20.6% were achieved with this improved growth process. Solar cells grown in an inverted configuration that were removed from the substrate showed nearly identical performance to on-wafer cells, demonstrating the viability of HVPE to be used together with conventional wafer reuse techniques for further cost reduction. These devices utilized multiple heterointerfaces, showing the potential of HVPE for the growth of complex and high-quality III-V devices.
C1 [Simon, John; Schulte, Kevin L.; Jain, Nikhil; Johnston, Steve; Young, Michelle; Young, Matthew R.; Young, David L.; Ptak, Aaron J.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Simon, J (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM john.simon@nrel.gov; kevin.schulte@nrel.gov; nikhil.jain@nrel.gov;
steve.johnston@nrel.gov; michelle.young@nrel.gov;
matthew.young@nrel.gov; David.Young@nrel.gov; aaron.ptak@nrel.gov
FU U.S.Department of Energy, National Renewable Energy Laboratory
[DE-AC36-08-GO28308]
FX This work was supported by the U.S.Department of Energy under Contract
DE-AC36-08-GO28308 with the National Renewable Energy Laboratory.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 work, or allow others to do so, for
U.S.Government purposes.
NR 21
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PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2017
VL 7
IS 1
BP 157
EP 161
DI 10.1109/JPHOTOV.2016.2614122
PG 5
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA EN2JW
UT WOS:000395836800023
ER
PT J
AU Bernardini, S
Johnston, S
West, B
Naerland, TU
Stuckelberger, M
Lai, B
Bertoni, MI
AF Bernardini, Simone
Johnston, Steve
West, Bradley
Naerland, Tine U.
Stuckelberger, Michael
Lai, Barry
Bertoni, Mariana I.
TI Nano-XRF Analysis of Metal Impurities Distribution at PL Active Grain
Boundaries During mc-Silicon Solar Cell Processing
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Multicrystalline silicon (mc-Si); photoluminescence (PL); PL band
reversal sub-band PL; X-ray fluorescence
ID DEFECTS
AB Metal impurities are known to hinder the performance of commercial Si-based solar cells by inducing bulk recombination, increasing leakage current, and causing direct shunting. Recently, a set of photoluminescence (PL) images of neighboring multicrystalline silicon wafers taken from a cell production line at different processing stages has been acquired. Both band-to-band PL and sub-bandgap PL (subPL) images showed various regions with different PL signal intensity. Interestingly, in several of these regions a reversal of the subPL intensity was observed right after the deposition of the antireflective coating. In this paper, we present the results of the synchrotron-based nano-X-ray fluorescence imaging performed in areas characterized by the subPL reversal to evaluate the possible role of metal decoration in this uncommon behavior. Furthermore, the acquisition of a statistically meaningful set of data for samples taken at different stages of the solar cell manufacturing allows us to shine a light on the precipitation and rediffusion mechanisms of metal impurities at these grain boundaries.
C1 [Bernardini, Simone; West, Bradley; Naerland, Tine U.; Stuckelberger, Michael; Bertoni, Mariana I.] Arizona State Univ, Tempe, AZ 85287 USA.
[Johnston, Steve] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Lai, Barry] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Bernardini, S (reprint author), Arizona State Univ, Tempe, AZ 85287 USA.
EM simone.bernardini@asu.edu; steve.johnston@nrel.gov;
Bradley.West.1@asu.edu; Tine.Naerland@asu.edu;
michael.stuckelberger@asu.edu; blai@aps.anl.gov; bertoni@asu.edu
RI Stuckelberger, Michael/L-7207-2016
OI Stuckelberger, Michael/0000-0002-8244-5235
FU Engineering Research Center Program of the National Science Foundation
(NSF); Office of Energy Efficiency and Renewable Energy of the
Department of Energy under NSF [EEC-1041895]; DOE Office of Science by
Argonne National Laboratory [DE-AC02-06CH11357]
FX This work was supported in part by the Engineering Research Center
Program of the National Science Foundation (NSF) and in part by the
Office of Energy Efficiency and Renewable Energy of the Department of
Energy under NSF Cooperative Agreement No. EEC-1041895. Any opinions,
findings, and conclusions or recommendations expressed in this material
are those of the author(s) and do not necessarily reflect those of the
National Science Foundation or Department of Energy. This research used
resources of the Advanced Photon Source, a U.S. Department of Energy
(DOE) Office of Science User Facility operated for the DOE Office of
Science by Argonne National Laboratory under Contract No.
DE-AC02-06CH11357.
NR 19
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PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2017
VL 7
IS 1
BP 244
EP 249
DI 10.1109/JPHOTOV.2016.2621340
PG 6
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA EN2JW
UT WOS:000395836800035
ER
PT J
AU Flicker, J
Tamizhmani, G
Moorthy, MK
Thiagarajan, R
Ayyanar, R
AF Flicker, Jack
Tamizhmani, Govindasamy
Moorthy, Mathan Kumar
Thiagarajan, Ramanathan
Ayyanar, Raja
TI Accelerated Testing of Module-Level Power Electronics for Long-Term
Reliability
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Accelerated life test; microinverter (MI); module-level power
electronics (MLPE); optimizer; photovoltaics (PV); reliability
AB This work has applied a suite of long-term-reliability accelerated tests to a variety of module-level power electronics (MLPE) devices (such as microinverters and optimizers) from five different manufacturers. This dataset is one of the first (only the paper by Parker et al. entitled "Dominant factors affecting reliability of alternating current photovoltaic modules," in Proc. 42nd IEEE Photovoltaic Spec. Conf., 2015, is reported for reliability testing in the literature), as well as the largest, experimental sets in public literature, both in the sample size (five manufacturers including both dc/dc and dc/ac units and 20 units for each test) and the number of experiments (six different experimental test conditions) for MLPE devices. The accelerated stress tests (thermal cycling test per IEC 61215 profile, damp heat test per IEC 61215 profile, and static temperature tests at 100 and 125 degrees C) were performed under powered and unpowered conditions. The first independent long-term experimental data regarding damp heat and grid transient testing, as well as the longest term (>9 month) testing of MLPE units reported in the literature for thermal cycling and high-temperature operating life, are included in these experiments. Additionally, this work is the first to show in situ power measurements, as well as periodic efficiency measurements over a series of experimental tests, demonstrating whether certain tests result in long-term degradation or immediate catastrophic failures. The result of this testing highlights the performance of MLPE units under the application of several accelerated environmental stressors.
C1 [Flicker, Jack] Sandia Natl Labs, Albuquerque, NM 87123 USA.
[Tamizhmani, Govindasamy] TUV Rheinland PTL, Tempe, AZ 85282 USA.
[Tamizhmani, Govindasamy; Moorthy, Mathan Kumar; Thiagarajan, Ramanathan; Ayyanar, Raja] Arizona State Univ, Mesa, AZ 85212 USA.
RP Flicker, J (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA.
EM jdflick@sandia.gov; manit@asu.edu; mkmoorth@asu.edu; rthiagar@asu.edu;
rayyanar@asu.edu
FU U.S. Department of Energy (DOE) [DE-FC36-07GO17034]; DOE Office of
Energy Efficiency and Renewable Energy; U.S. DOE's National Nuclear
Security Administration [DE-AC04-94AL85000]
FX This work was supported by the U.S. Department of Energy (DOE) under
Award DE-FC36-07GO17034. This work was also supported by the DOE Office
of Energy Efficiency and Renewable Energy. Sandia National Laboratories
is a multiprogram laboratory managed and operated by Sandia Corporation,
a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S.
DOE's National Nuclear Security Administration under Contract
DE-AC04-94AL85000.
NR 13
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PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2017
VL 7
IS 1
BP 259
EP 267
DI 10.1109/JPHOTOV.2016.2621339
PG 9
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA EN2JW
UT WOS:000395836800037
ER
PT J
AU Garris, RL
Mansfield, LM
Egaas, B
Ramanathan, K
AF Garris, Rebekah L.
Mansfield, Lorelle M.
Egaas, Brian
Ramanathan, Kannan
TI Low-Cd CIGS Solar Cells Made With a Hybrid CdS/Zn(O, S) Buffer Layer
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Alternative buffer layer; Cd-free; CdS; Cu(In,Ga)Se-2 (CIGS); low-Cd;
thin-film photovoltaic (PV); Zn(O,S)
ID EFFICIENCY; DIODE
AB In Cu(In, Ga)Se-2 (CIGS) solar cells, CdS and Zn(O,S) buffer layers were compared with a hybrid buffer layer consisting of thin CdS followed Zn(O, S). We explore the physics of this hybrid layer that combines the standard (Cd) approach with the alternative (Zn) approach in the pursuit to unlock further potential for CIGS technology. CdS buffer development has shown optimal interface properties, whereas Zn(O, S) buffer development has shown increased photocurrent. Although a totally Cd-free solar module is more marketable, the retention of a small amount of Cd can be beneficial to achieve optimum junction properties. As long as the amount of Cd is reduced to less than 0.01% by weight, the presence of Cd does not violate the hazardous substance restrictions of the European Union (EU). We estimate the amount of Cd allowed in the EU for CIGS on both glass and stainless steel substrates, and we show that reducing Cd becomes increasingly important as substrate weights decrease. This hybrid buffer layer had reduced Cd content and a wider space charge region, while achieving equal or better solar cell performance than buffer layers of either CdS or Zn(O, S) alone.
C1 [Garris, Rebekah L.; Mansfield, Lorelle M.; Egaas, Brian; Ramanathan, Kannan] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Ramanathan, Kannan] Stion Corp, San Jose, CA USA.
RP Garris, RL (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM rebekahlgarris@gmail.com; lorelle.mansfield@nrel.gov; bkegaas@gmail.com;
kramanathan@stion.com
FU U.S. Department of Energy [DE-AC36-08GO28308]; National Renewable Energy
Laboratory
FX This work was supported by the U.S. Department of Energy under Contract
DE-AC36-08GO28308 with the National Renewable Energy Laboratory. 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 for of this work, or allow others to do so, for
U.S. Government purposes.
NR 18
TC 0
Z9 0
U1 3
U2 3
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2017
VL 7
IS 1
BP 281
EP 285
DI 10.1109/JPHOTOV.2016.2617041
PG 5
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA EN2JW
UT WOS:000395836800040
ER
PT J
AU Mansfield, LM
Garris, RL
Counts, KD
Sites, JR
Thompson, CP
Shafarman, WN
Ramanathan, K
AF Mansfield, Lorelle M.
Garris, Rebekah L.
Counts, Kahl D.
Sites, James R.
Thompson, Christopher P.
Shafarman, William N.
Ramanathan, Kannan
TI Comparison of CIGS Solar Cells Made With Different Structures and
Fabrication Techniques
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Auger electron spectroscopy (AES); capacitance; characterization;
correlation; Cu(In, Ga)Se-2 (CIGS); internal quantum efficiency (IQE);
thin-film photovoltaics
ID DEVICE PERFORMANCE; THIN-FILMS; EFFICIENCY; VOLTAGE
AB Cu(In, Ga)Se-2 (CIGS)-based solar cells from six fabricators were characterized and compared. The devices had differing substrates, absorber deposition processes, buffer materials, and contact materials. The effective bandgaps of devices varied from 1.05 to 1.22 eV, with the lowest optical bandgaps occurring in those with metal-precursor absorber processes. Devices with Zn(O, S) or thin CdS buffers had quantum efficiencies above 90% down to 400 nm. Most voltages were 250-300 mV below the Shockley-Queisser limit for their bandgap. Electroluminescence intensity tracked well with the respective voltage deficits. Fill factor (FF) was as high as 95% of the maximum for each device's respective current and voltage, with higher FF corresponding to lower diode quality factors (similar to 1.3). An in-depth analysis of FF losses determined that diode quality reflected in the quality factor, voltage-dependent photocurrent, and, to a lesser extent, the parasitic resistances are the limiting factors. Different absorber processes and device structures led to a range of electrical and physical characteristics, yet this investigation showed that multiple fabrication pathways could lead to high-quality and high-efficiency solar cells.
C1 [Mansfield, Lorelle M.; Garris, Rebekah L.; Ramanathan, Kannan] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Counts, Kahl D.; Sites, James R.] Colorado State Univ, Dept Phys, Ft Collins, CO 80523 USA.
[Thompson, Christopher P.; Shafarman, William N.] Univ Delaware, Inst Energy Convers, Newark, DE 19716 USA.
[Ramanathan, Kannan] Stion Corp, San Jose, CA 95110 USA.
RP Mansfield, LM (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM Lorelle.Mansfield@nrel.gov; Rebekah.Garris@nrel.gov;
countskahl@gmail.com; james.sites@colostate.edu; cpt@udel.edu;
wns@udel.edu; kramanathan@stion.com
FU U.S. Department of Energy with the National Renewable Energy Laboratory
[DE-AC36-08GO28308]
FX This work was supported by the U.S. Department of Energy under Contract
DE-AC36-08GO28308 with the National Renewable Energy Laboratory. 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 work, or allow others to do so, for
U. S. Government purposes.
NR 16
TC 0
Z9 0
U1 2
U2 2
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2017
VL 7
IS 1
BP 286
EP 293
DI 10.1109/JPHOTOV.2016.2616188
PG 8
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA EN2JW
UT WOS:000395836800041
ER
PT J
AU Raguse, JM
Muzzillo, CP
Sites, JR
Mansfield, L
AF Raguse, John M.
Muzzillo, Christopher P.
Sites, James R.
Mansfield, Lorelle
TI Effects of Sodium and Potassium on the Photovoltaic Performance of CIGS
Solar Cells
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE CIGS; passivation; photovoltaic (PV) cells; thin films
ID POSTDEPOSITION TREATMENT; EFFICIENCY; 21.7-PERCENT; 20.8-PERCENT;
FLUORIDE
AB The deliberate introduction of K and Na into Cu(In, Ga)Se-2 (CIGS) absorbers was investigated by varying a combination of an SiO2 diffusion barrier, coevaporation of KF with the CIGS absorber, and a KF postdeposition treatment (PDT). Devices made with no diffusion barrier and KF coevaporation treatment exhibited the highest photovoltaic conversion efficiency with the smallest overall distribution in key current density-voltage (J-V) performance metrics. Out-diffusion of Na and K from the substrate, KF coevaporation, and KF PDT all increased carrier concentration, open-circuit voltage, fill factor, and power conversion efficiency. Quantum-efficiency analysis of devices highlighted the greatest loss in the short-circuit current density due to incomplete absorption and collection. Secondary ion mass spectrometry illustrated the efficacy of the SiO2 film as a sodium and potassium diffusion barrier, as well as their relative concentration in the absorber. Introduction of KF appeared to enhance diffusion of Na from the substrate, in agreement with previous studies.
C1 [Raguse, John M.; Sites, James R.] Colorado State Univ, Dept Phys, Ft Collins, CO 80523 USA.
[Muzzillo, Christopher P.] Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA.
[Mansfield, Lorelle] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Raguse, JM (reprint author), Colorado State Univ, Dept Phys, Ft Collins, CO 80523 USA.
EM jraguse@gmail.com; Muzzillo@nrel.gov; james.sites@colostate.edu;
lorelle.mansfield@nrel.gov
FU U. S. Department of Energy SunShot program [DE-AC36-08GO28308]; National
Renewable Energy Laboratory
FX This work was supported by the U. S. Department of Energy SunShot
program under Contract DE-AC36-08GO28308 with the National Renewable
Energy Laboratory.
NR 19
TC 0
Z9 0
U1 5
U2 5
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2017
VL 7
IS 1
BP 303
EP 306
DI 10.1109/JPHOTOV.2016.2621343
PG 4
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA EN2JW
UT WOS:000395836800043
ER
PT J
AU Schulte, KL
France, RM
Geisz, JF
AF Schulte, Kevin L.
France, Ryan M.
Geisz, John F.
TI Highly Transparent Compositionally Graded Buffers for New Metamorphic
Multijunction Solar Cell Designs
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Photovoltaic cells; III-V semiconductor materials; semiconductor
epitaxial layers; semiconductor device doping
ID EFFICIENCY; SELENIUM; INP
AB The development of compositionally graded buffer layers (CGBs) with enhanced transparency would enable novel five and six junction solar cells, with efficiencies approaching 50% under high concentration. We demonstrate highly transparent grades between the GaAs and InP lattice constants on both A-and B-miscut GaAs substrates, employing Al-x Ga-y In1-x-y As and highly Se-doped Burstein-Moss (BM) shifted Ga-x In1-x P. Transparency to >810 and >890 nm wavelengths is demon-strated with BM-shifted Ga-x In1-x P on B-miscut substrates and Al-x Ga-y In1-x-y As/Ga-x In1-x P(Se) combined grades on A-miscut substrates, respectively. 0.74 eV GaInAs solar cells grown on these transparent CGBs exhibit W-OC = 0.41 V at mA/ cm(2), performance comparable with the state-of-the-art Ga-x In1-x P grade employed in the four-junction-inverted metamorphic multijunction (IMM) cell. A GaAs/0.74cV GaInAs tandem cell was grown with a transparent BM-shifted Ga-x In1-x P CGB to verify the CGB performance in a multijunction device structure. Quantum efficiency measurements indicate that the CGB is completely transparent to photons below the GaAs bandedge, validating its use in 4-6 junction IMM devices with a single-graded buffer. This tandem represents a highly efficient two-junction band gap combination, achieving 29.6% +/- 1.2% efficiency under the AM1.5 global spectrum, demonstrating how the additional transparency enables new device structures.
C1 [Schulte, Kevin L.; France, Ryan M.; Geisz, John F.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Schulte, KL (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM kevin.schulte@nrel.gov; ryan.france@nrel.gov; john.geisz@nrel.gov
FU U.S. Department of Energy [DE-AC36-08GO28308]; National Renewable Energy
Laboratory
FX This work was supported by the U.S. Department of Energy under Contract
No. DE-AC36-08GO28308 with the National Renewable Energy Laboratory
provided by U.S.Department of Energy Office of Energy Efficiency and
Renewable Energy Solar Energy Technologies Program.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 work, or
allow others to do so, for U.S.Government purposes.
NR 25
TC 0
Z9 0
U1 0
U2 0
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2017
VL 7
IS 1
BP 347
EP 353
DI 10.1109/JPHOTOV.2016.2619183
PG 7
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA EN2JW
UT WOS:000395836800050
ER
PT J
AU Haegel, NM
Ke, CW
Taha, H
Guthrey, H
Fetzer, CM
King, RR
AF Haegel, Nancy M.
Ke, Chi-Wen
Taha, Hesham
Guthrey, Harvey
Fetzer, Christopher M.
King, Richard R.
TI Cross-Sectional Transport Imaging in a Multijunction Solar Cell
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Cathodoluminescence (CL); diffusion; luminescent coupling; multijunction
solar cell; transport imaging
ID EFFICIENCY
AB We combine a highly localized electron-beam point source excitation to generate excess free carriers with the spatial resolution of optical near-field imaging to map recombination in a cross-sectioned multijunction (Ga0.5In0.5P/GaIn0.01 As/Ge) solar cell. By mapping the spatial variations in emission of light for fixed generation (as opposed to traditional cathodoluminescence (CL), which maps integrated emission as a function of position of generation), it is possible to directly monitor the motion of carriers and photons. We observe carrier diffusion throughout the full width of the middle (GaInAs) cell, as well as luminescent coupling from point source excitation in the top cell GaInP to the middle cell. Supporting CL and near-field photoluminescence (PL) measurements demonstrate the excitation-dependent Fermi level splitting effects that influence cross-sectioned spectroscopy results, as well as transport limitations on the spatial resolution of conventional cross-sectional far-field measurements.
C1 [Haegel, Nancy M.; Guthrey, Harvey] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Ke, Chi-Wen] Naval Postgrad Sch, Monterey, CA 93943 USA.
[Taha, Hesham] Nanon Imaging Ltd, IL-9777518 Jerusalem, Israel.
[Fetzer, Christopher M.; King, Richard R.] Boeing Spectrolab, Sylmar, CA 91342 USA.
RP Haegel, NM (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM nancy.haegel@nrel.gov; chiwenke@hotmail.com; hesham@nanonics.co.il;
harvey.guthrey@nrel.gov; christopher.m.fetzer@boeing.com;
richard.r.king@asu.edu
FU Fulbright Senior Scholar Award
FX N. M. Haegel would like to acknowledge the Fulbright Senior Scholar
Award that provided the opportunity to collaborate with H. Taha at
Nanonics Imaging Ltd.
NR 16
TC 0
Z9 0
U1 0
U2 0
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2017
VL 7
IS 1
BP 354
EP 358
DI 10.1109/JPHOTOV.2016.2623088
PG 5
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA EN2JW
UT WOS:000395836800051
ER
PT J
AU Han, F
Hu, L
Liu, ZN
Li, Q
Wang, T
Ren, Y
Deng, JX
Chen, J
Xing, XR
AF Han, Fei
Hu, Lei
Liu, Zhanning
Li, Qiang
Wang, Tao
Ren, Yang
Deng, Jinxia
Chen, Jun
Xing, Xianran
TI Local structure and controllable thermal expansion in the solid solution
(Mn1-xNix)ZrF6
SO INORGANIC CHEMISTRY FRONTIERS
LA English
DT Article
ID CUBIC SCF3; ZERO; ZN; FE; CO; FERROMAGNETISM; DEPENDENCE; FLUORIDES; MN;
NI
AB It is an interesting but challenge issue to prepare isotropic controllable thermal expansion materials with a wide coefficient of thermal expansion (CTE) range. Herein we report controllable thermal expansion in the double ReO3-type (Mn1-xNix)ZrF6 solid solutions, whose CTE varies from -4.4 to +15.5 x 10(-6) K-1 (300-700 K). In particular, zero thermal expansion has been obtained in the composition of (Mn0.6Ni0.4)ZrF6. (Mn1-xNix)ZrF6 exhibits full solid solution character. The thermal expansion of (Mn1-xNix) ZrF6 is adjusted by the flexibility of the atomic linkages, which is confirmed by the technique of temperature-dependent high-energy synchrotron X-ray pair distribution function.
C1 [Han, Fei; Hu, Lei; Liu, Zhanning; Li, Qiang; Wang, Tao; Deng, Jinxia; Chen, Jun; Xing, Xianran] Univ Sci & Technol Beijing, Dept Phys Chem, Beijing 100083, Peoples R China.
[Ren, Yang] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA.
RP Chen, J (reprint author), Univ Sci & Technol Beijing, Dept Phys Chem, Beijing 100083, Peoples R China.
EM Junchen@ustb.edu.cn
FU National Natural Science Foundation of China [21322102, 91422301,
21231001, 21590793]; National Program for Support of Top-notch Young
Professionals; Changjiang Young Scholars Award; Fundamental Research
Funds for the Central Universities, China [FRF-TP-14-012C1]; U.S.
Department of Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-06CH11357]
FX This work was supported by the National Natural Science Foundation of
China (Grant No. 21322102, 91422301, 21231001, and 21590793), National
Program for Support of Top-notch Young Professionals, the Changjiang
Young Scholars Award, the Fundamental Research Funds for the Central
Universities, China (FRF-TP-14-012C1). The use of the Advanced Photon
Source at Argonne National Laboratory was supported by the U.S.
Department of Energy, Office of Science, Office of Basic Energy Sciences
(DE-AC02-06CH11357).
NR 26
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U1 0
U2 0
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2052-1553
J9 INORG CHEM FRONT
JI Inorg. Chem. Front.
PY 2017
VL 4
IS 2
BP 343
EP 347
DI 10.1039/c6qi00483k
PG 5
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA EN1WY
UT WOS:000395802300014
ER
PT J
AU Ertsas, HC
Nolan, GP
LaBarge, MA
Lorens, JB
AF Ertsas, Henriette Christie
Nolan, Garry P.
LaBarge, Mark A.
Lorens, James B.
TI Microsphere cytometry to interrogate microenvironment-dependent cell
signaling
SO INTEGRATIVE BIOLOGY
LA English
DT Article
ID FLOW-CYTOMETRY; GROWTH; PHOSPHORYLATION
AB Microenvironmental cues comprising surface-mediated and soluble factors control cellular signaling mechanisms underlying normal cellular responses that define homeostatic and diseased cell states. In order to measure cell signaling in single adherent cells, we developed a novel microsphere-based flow cytometry approach. Single normal or neoplastic cells were adhered to uniform microspheres that display mimetic-microenvironments comprising surface combinations of extracellular matrix (ECM) in the presence of soluble agonists/antagonists. Temporal signaling responses were measured with fluorophore-conjugated antibodies that recognize response-dependent epitopes by multiparametric flow cytometry. Using this approach we demonstrate that microenvironment-mimetic combinations of growth factors and extracellular matrix proteins generate distinct cellular signal networks that reveal unique cell signatures in normal and patient biopsy-derived neoplastic cells.
C1 [Ertsas, Henriette Christie; Lorens, James B.] Univ Bergen, Ctr Canc Biomarkers, Dept Biomed, Bergen, Norway.
[Nolan, Garry P.] Stanford Univ, Dept Microbiol & Immunol, Baxter Lab Stem Cell Biol, Stanford, CA 94305 USA.
[LaBarge, Mark A.] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
RP Lorens, JB (reprint author), Univ Bergen, Ctr Canc Biomarkers, Dept Biomed, Bergen, Norway.
EM Jim.Lorens@uib.no
FU Norwegian Cancer Society predoctoral fellowship; Norwegian Research
Council; Norwegian Cancer Society; Helse Vest Health Authority
FX We kindly thank Dr Iren Abrahamsen for important recommendations on the
experimental protocols; Dr Martha Stampfer for contributing breast
tissue from collected tissue samples and instructions in how to care for
these cells; Marianne Enger and Sissel Vik Berge for technical
assistance; Dr Line Bjorge at Kvinneklinikken for providing ovarian
cancer patient ascites samples; and the peer-reviewers for helpful
comments on the manuscript. H. E. was supported by a Norwegian Cancer
Society predoctoral fellowship and travel grant. J. B. L. is supported
by grants from the Norwegian Research Council, Norwegian Cancer Society
and Helse Vest Health Authority.
NR 33
TC 0
Z9 0
U1 2
U2 2
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1757-9694
EI 1757-9708
J9 INTEGR BIOL-UK
JI Integr. Biol.
PY 2017
VL 9
IS 2
BP 123
EP 134
DI 10.1039/c6ib00207b
PG 12
WC Cell Biology
SC Cell Biology
GA EN2UF
UT WOS:000395865000003
PM 28102399
ER
PT J
AU Que, EL
Duncan, FE
Bayer, AR
Philips, SJ
Roth, EW
Bleher, R
Gleber, SC
Vogt, S
Woodruff, TK
O'Halloran, TV
AF Que, Emily L.
Duncan, Francesca E.
Bayer, Amanda R.
Philips, Steven J.
Roth, Eric W.
Bleher, Reiner
Gleber, Sophie C.
Vogt, Stefan
Woodruff, Teresa K.
O'Halloran, Thomas V.
TI Zinc sparks induce physiochemical changes in the egg zona pellucida that
prevent polyspermy
SO INTEGRATIVE BIOLOGY
LA English
DT Article
ID IN-VITRO MATURATION; MAMMALIAN OOCYTES; EMBRYONIC-DEVELOPMENT; CORTICAL
REACTION; FOLLICULAR-FLUID; IMAGE-ANALYSIS; SPERM BINDING; MOUSE
OOCYTES; HAMSTER EGG; ZP-N
AB During fertilization or chemically-induced egg activation, the mouse egg releases billions of zinc atoms in brief bursts known as 'zinc sparks.' The zona pellucida (ZP), a glycoprotein matrix surrounding the egg, is the first structure zinc ions encounter as they diffuse away from the plasma membrane. Following fertilization, the ZP undergoes changes described as 'hardening', which prevent multiple sperm from fertilizing the egg and thereby establish a block to polyspermy. A major event in zona hardening is cleavage of ZP2 proteins by ovastacin; however, the overall physiochemical changes contributing to zona hardening are not well understood. Using X-ray fluorescence microscopy, transmission and scanning electron microscopy, and biological function assays, we tested the hypothesis that zinc release contributes to ZP hardening. We found that the zinc content in the ZP increases by 300% following activation and that zinc exposure modulates the architecture of the ZP matrix. Importantly, zinc-induced structural changes of the ZP have a direct biological consequence; namely, they reduce the ability of sperm to bind to the ZP. These results provide a paradigm-shifting model in which fertilization-induced zinc sparks contribute to the polyspermy block by altering conformations of the ZP matrix. This adds a previously unrecognized factor, namely zinc, to the process of ZP hardening.
C1 [Que, Emily L.; Bayer, Amanda R.; Philips, Steven J.; Roth, Eric W.; Bleher, Reiner; Woodruff, Teresa K.; O'Halloran, Thomas V.] Northwestern Univ, Chem Life Proc Inst, 2170 North Campus Dr,Silverman 4611, Evanston, IL 60208 USA.
[Duncan, Francesca E.; Woodruff, Teresa K.] Northwestern Univ, Dept Obstet & Gynecol, Feinberg Sch Med, 303 East Super St,Lurie 10-121, Chicago, IL 60611 USA.
[Bayer, Amanda R.; O'Halloran, Thomas V.] Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.
[Philips, Steven J.; Woodruff, Teresa K.; O'Halloran, Thomas V.] Northwestern Univ, Dept Mol Biosci, Evanston, IL 60208 USA.
[Roth, Eric W.; Bleher, Reiner] Northwestern Univ, Atom & Nanoscale Characterizat Expt Ctr, Evanston, IL 60208 USA.
[Gleber, Sophie C.; Vogt, Stefan] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA.
RP Woodruff, TK; O'Halloran, TV (reprint author), Northwestern Univ, Chem Life Proc Inst, 2170 North Campus Dr,Silverman 4611, Evanston, IL 60208 USA.; Woodruff, TK (reprint author), Northwestern Univ, Dept Obstet & Gynecol, Feinberg Sch Med, 303 East Super St,Lurie 10-121, Chicago, IL 60611 USA.; O'Halloran, TV (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.; Woodruff, TK; O'Halloran, TV (reprint author), Northwestern Univ, Dept Mol Biosci, Evanston, IL 60208 USA.
EM tkw@northwestern.edu; t-ohalloran@northwestern.edu
FU MRSEC program at the Materials Research Center [NSF DMR-1121262];
International Institute for Nanotechnology (IIN); State of Illinois,
through the IIN; W. M. Keck Foundation; Chemistry of Life Processes
Cornew Innovation Fund a SPARK from the Chicago Biomedical Consortium;
National Institutes of Health [P01 HD021921, GM38784, GM115848,
GM038784, U54P50HD076188, T32GM105538]; U.S. Department of Energy (DOE)
Office of Science [DE-AC02-06CH11357]
FX We thank the Oncofertility Academy programs
(https://oncofertility.northwestern.edu/oncofertility-saturday-academies
) and science teacher Carole Namowicz and her students from Lindblom
Math and Science Academy (Chicago, IL) for help with XFM experiments,
Jurrien Dean for providing us with ZP2 antibody, and Luca Jovine for
discussions of ZP3 structural data. Electron microscopy was performed in
the EPIC facility (NUANCE CenterNorthwestern University), which has
received support from the MRSEC program (NSF DMR-1121262) at the
Materials Research Center; the International Institute for
Nanotechnology (IIN); and the State of Illinois, through the IIN. This
work was supported by a Medical Research Award from the W. M. Keck
Foundation, the Chemistry of Life Processes Cornew Innovation Fund a
SPARK Award from the Chicago Biomedical Consortium, and the National
Institutes of Health (P01 HD021921, GM38784, GM115848, GM038784,
U54P50HD076188, and T32GM105538). This research used resources of the
Advanced Photon Source, a U.S. Department of Energy (DOE) Office of
Science User Facility operated for the DOE Office of Science by Argonne
National Laboratory under Contract No. DE-AC02-06CH11357.
NR 88
TC 0
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U1 1
U2 1
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1757-9694
EI 1757-9708
J9 INTEGR BIOL-UK
JI Integr. Biol.
PY 2017
VL 9
IS 2
BP 135
EP 144
DI 10.1039/c6ib00212a
PG 10
WC Cell Biology
SC Cell Biology
GA EN2UF
UT WOS:000395865000004
PM 28102396
ER
PT J
AU Graus, MS
Neumann, AK
Timlin, JA
AF Graus, Matthew S.
Neumann, Aaron K.
Timlin, Jerilyn A.
TI Hyperspectral fluorescence microscopy detects autofluorescent factors
that can be exploited as a diagnostic method for Candida species
differentiation
SO JOURNAL OF BIOMEDICAL OPTICS
LA English
DT Article
DE Candida albicans; Candida glabrata; Candida parapsilosis;
autofluorescence; spectral analysis
ID INVASIVE CANDIDIASIS; BLOOD CULTURES; MORTALITY; CELLS; INFECTIONS;
RESISTANCE; GLABRATA; CANCER; IMAGES; TIME
AB Fungi in the Candida genus are the most common fungal pathogens. They not only cause high morbidity and mortality but can also cost billions of dollars in healthcare. To alleviate this burden, early and accurate identification of Candida species is necessary. However, standard identification procedures can take days and have a large false negative error. The method described in this study takes advantage of hyperspectral confocal fluorescence microscopy, which enables the capability to quickly and accurately identify and characterize the unique autofluorescence spectra from different Candida species with up to 84% accuracy when grown in conditions that closely mimic physiological conditions. (C) The Authors.
C1 [Graus, Matthew S.; Neumann, Aaron K.] Univ New Mexico, Dept Pathol, 1 Univ New Mexico,MSC08 4640, Albuquerque, NM 87131 USA.
[Timlin, Jerilyn A.] Sandia Natl Labs, Dept Bioenergy & Def Technol, POB 5800,MS 0895, Albuquerque, NM 87185 USA.
RP Neumann, AK (reprint author), Univ New Mexico, Dept Pathol, 1 Univ New Mexico,MSC08 4640, Albuquerque, NM 87131 USA.
EM akneumann@salud.unm.edu
OI Timlin, Jerilyn/0000-0003-2953-1721
FU National Institutes of Health (NIH) [AI007538]; NIH [P50GM085273,
R01AI116894, 1-DP2-OD006673-01]; US Department of Energy's National
Nuclear Security Administration [DE-AC04-94AL85000]
FX We appreciate the contributions of Michael Wester and the members of the
Neumann lab. We also thank Michael Sinclair for use and maintenance of
the hyperspectral confocal microscope and Howland D.T. Jones for the MCR
software package. This work was supported by National Institutes of
Health (NIH) Grant AI007538 (M.S.G), NIH Grant P50GM085273 supporting
the Center for Spatiotemporal Modeling of Cell Signaling, NIH Grant
R01AI116894 (A.K.N.), and NIH Director's New Innovator Award Program
1-DP2-OD006673-01 (J.A.T.). Sandia National Laboratories is a
multiprogram laboratory that is managed and operated by Sandia
Corporation, a wholly owned subsidiary of Lockheed Martin Corporation,
for the US Department of Energy's National Nuclear Security
Administration (contract No. DE-AC04-94AL85000).
NR 30
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U1 0
U2 0
PU SPIE-SOC PHOTO-OPTICAL INSTRUMENTATION ENGINEERS
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA
SN 1083-3668
EI 1560-2281
J9 J BIOMED OPT
JI J. Biomed. Opt.
PD JAN
PY 2017
VL 22
IS 1
AR 016002
DI 10.1117/1.JBO.22.1.016002
PG 6
WC Biochemical Research Methods; Optics; Radiology, Nuclear Medicine &
Medical Imaging
SC Biochemistry & Molecular Biology; Optics; Radiology, Nuclear Medicine &
Medical Imaging
GA EO0EH
UT WOS:000396370600012
ER
PT J
AU Kaveevivitchai, W
Huq, A
Manthiram, A
AF Kaveevivitchai, Watchareeya
Huq, Ashfia
Manthiram, Arumugam
TI Microwave-assisted chemical insertion: a rapid technique for screening
cathodes for Mg-ion batteries
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID RECHARGEABLE MAGNESIUM BATTERIES; ELECTROCHEMICAL ZINC INSERTION;
STRUCTURAL-CHARACTERIZATION; POLYOL SYNTHESIS; CRYSTAL-STRUCTURE;
CHEVREL PHASES; SECONDARY BATTERIES; ENERGY-STORAGE; VANADIUM-OXIDE;
MGXMO6T8 T
AB We report an ultrafast microwave-assisted solvothermal method for chemical insertion of Mg2+ ions into host materials using magnesium acetate [Mg(CH3COO)(2)] as a metal-ion source and diethylene glycol (DEG) as a reducing agent. For instance, up to 3 Mg ions per formula unit of a microporous host framework Mo2.5+yVO9+z could be inserted in as little as 30 min at 170-195 degrees C in air. This process is superior to the traditional method which involves the use of organometallic reagents, such as di-n-butylmagnesium [(C4H9)(2)Mg] and magnesium bis(2,6-di-tert-butylphenoxide) [Mg-(O-2,6-(Bu2C6H3)-C-t)(2)], and requires an inert atmosphere with extremely long reaction times. Considering the lack of robust electrolytes for Mg-ion batteries, this facile approach can be readily used as a rapid screening technique to identify potential Mg-ion electrode hosts without the necessity of fabricating electrodes and assembling electrochemical cells. Due to the mild reaction conditions, the overall structure and morphology of the Mg-ion inserted products are maintained and the compounds can be used successfully as a cathode in Mg-ion batteries. The combined synchrotron X-ray and neutron diffraction Rietveld analysis reveals the structure of the Mg-inserted compounds and gives an insight into the interactions between the Mg ions and the open-tunnel host framework.
C1 [Kaveevivitchai, Watchareeya; Manthiram, Arumugam] Univ Texas Austin, Mat Sci & Engn Program, Austin, TX 78712 USA.
[Kaveevivitchai, Watchareeya; Manthiram, Arumugam] Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA.
[Huq, Ashfia] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA.
RP Manthiram, A (reprint author), Univ Texas Austin, Mat Sci & Engn Program, Austin, TX 78712 USA.; Manthiram, A (reprint author), Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA.
EM manth@austin.utexas.edu
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Materials Sciences and Engineering [DE-SC0005397]; Scientific User
Facilities Division, Office of Basic Energy Sciences, U.S. Department of
Energy; U.S. Department of Energy, Office of Science, Office of Basic
Energy Sciences [DE-AC0206CH11357]
FX This work was supported by the U.S. Department of Energy, Office of
Basic Energy Sciences, Division of Materials Sciences and Engineering
under award number DE-SC0005397. The neutron diffraction measurement at
the POWGEN beamline, Spallation Neutron Source (SNS), Oak Ridge National
Laboratory (ORNL) was sponsored by the Scientific User Facilities
Division, Office of Basic Energy Sciences, U.S. Department of Energy.
The authors appreciate the technical assistance from Dr Melanie Kirkham
and Pamela Whitfield at the POWGEN, ORNL. Use of the Advanced Photon
Source at the Argonne Nation Laboratory was supported by the U.S.
Department of Energy, Office of Science, Office of Basic Energy
Sciences, under Contract No. DE-AC0206CH11357. We thank Dr Karalee
Jarvis and Yubao Zhao for assistance with TEM data acquisition, Dr
Shaofei Wang and Wang Hay Kan for the guidance on BVS calculation, and
Michael Klein for assistance with Karl-Fischer analysis.
NR 89
TC 0
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U1 2
U2 2
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 2017
VL 5
IS 5
BP 2309
EP 2318
DI 10.1039/c6ta09497j
PG 10
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EM1JQ
UT WOS:000395074300057
ER
PT J
AU Nelson, NC
Wang, ZR
Naik, P
Manzano, JS
Pruski, M
Slowing, II
AF Nelson, Nicholas C.
Wang, Zhuoran
Naik, Pranjali
Manzano, J. Sebastian
Pruski, Marek
Slowing, Igor I.
TI Phosphate modified ceria as a Bronsted acidic/redox multifunctional
catalyst
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID NUCLEAR-MAGNETIC-RESONANCE; SELF-ASSEMBLED MONOLAYERS; OXYGEN STORAGE
CAPACITY; MULTIPLE-QUANTUM NMR; SURFACE-CHEMISTRY; TRIMETHYL PHOSPHATE;
SELECTIVE HYDROGENATION; PHOTOCATALYTIC ACTIVITY; GOETHITE
NANOPARTICLES; ELECTRONIC-STRUCTURE
AB Deposition of trimethylphosphate onto ceria followed by thermal treatment resulted in the formation of surface phosphates with retention of the ceria fluorite structure. The structural and chemical properties of the phosphate-functionalized ceria were studied using P-31 solid-state NMR, XPS, zeta titration, ammonia thermal desorption, pyridine adsorption, and model reactions. The introduction of phosphates generated Bronsted acid sites and decreased the number of Lewis acid sites on the surface. The relative amount of Lewis and Bronsted acids can be controlled by the amount of trimethylphosphate used in the synthesis. Upon deposition of Pd, the multifunctional material showed enhanced activity for the hydrogenolysis of eugenol and guaiacol compared to Pd on the unmodified ceria support. This was attributed to the cooperativity between the Lewis acid sites, which activate the substrate for dearomatization, and the redox/ Bronsted acid properties, which catalyze hydrogenolysis.
C1 [Nelson, Nicholas C.; Wang, Zhuoran; Naik, Pranjali; Manzano, J. Sebastian; Pruski, Marek; Slowing, Igor I.] US DOE, Ames Lab, Ames, IA 50011 USA.
[Nelson, Nicholas C.; Wang, Zhuoran; Naik, Pranjali; Manzano, J. Sebastian; Pruski, Marek; Slowing, Igor I.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
RP Slowing, II (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA.; Slowing, II (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
EM islowing@iastate.edu
FU U.S. Department of Energy, Office of Science, Basic Energy Sciences,
Division of Chemical Sciences, Geosciences, and Biosciences, through the
Ames Laboratory Catalysis Science program; U.S. Department of Energy
[DE-AC02-07CH11358]
FX This research is supported by the U.S. Department of Energy, Office of
Science, Basic Energy Sciences, Division of Chemical Sciences,
Geosciences, and Biosciences, through the Ames Laboratory Catalysis
Science program. Application of the findings to lignin models was
performed within the Laboratory Directed Research and Development
Program (LDRD) of 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 113
TC 0
Z9 0
U1 1
U2 1
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 2017
VL 5
IS 9
BP 4455
EP 4466
DI 10.1039/c6ta08703e
PG 12
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EN3RR
UT WOS:000395926100023
ER
PT J
AU Zhu, X
Zhu, YH
Tian, CC
Jin, T
Yang, XJ
Jin, XB
Li, CZ
Wang, HL
Liu, HL
Dai, S
AF Zhu, Xiang
Zhu, Yihua
Tian, Chengcheng
Jin, Tian
Yang, Xuejing
Jin, Xianbo
Li, Chunzhong
Wang, Hualin
Liu, Honglai
Dai, Sheng
TI Pyrolysis of conjugated nanoporous polycarbazoles to mesoporous N-doped
carbon nanotubes as efficient electrocatalysts for the oxygen reduction
reaction
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID HIGHLY-ACTIVE ELECTROCATALYSTS; METAL-FREE ELECTROCATALYSTS; CO2
CAPTURE; POROUS CARBON; GAS-STORAGE; NITROGEN; PERFORMANCE;
NANOPARTICLES; CATALYSTS; FRAMEWORKS
AB Developing new techniques for the synthesis of N-doped carbon nanotubes (N-CNTs) with high porosities and abundant N-doped active sites is significant for energy conversion and utilization. We report herein a novel non-CVD methodology that exploits a conjugated-nanoporous-polymer-driven, self-templated route toward a new family of highly N-doped carbon nanotubes. The utilization of a task-specific tubular nanoporous polycarbazole as a template maintains both high porosity and density of N-doped active sites, while simultaneously affording a hollow nanotube-like morphology of the final N-doped carbons. Attributed to these unique functionalities, the resultant N-CNT-based electrocatalyst exhibits a superior oxygen reduction reaction (ORR) activity with a half-wave potential of 0.88 V (vs. the reversible hydrogen electrode), higher long-term stability, and better methanol tolerance than commercial 20% Pt/C in alkaline media. More importantly, the ORR performance in an acidic medium exceeds that of the most previously reported non-precious carbonaceous catalysts. These findings could provide an alternative approach towards highly efficient non-precious N-CNT-based electrocatalysts for the ORR.
C1 [Zhu, Xiang; Jin, Tian; Liu, Honglai] East China Univ Sci & Technol, Sch Chem & Mol Engn, State Key Lab Chem Engn, Shanghai 200237, Peoples R China.
[Zhu, Xiang; Tian, Chengcheng; Jin, Xianbo; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Zhu, Yihua; Li, Chunzhong] East China Univ Sci & Technol, Sch Mat Sci & Engn, Key Lab Ultrafine Mat, Minist Educ, Shanghai 200237, Peoples R China.
[Yang, Xuejing; Wang, Hualin] East China Univ Sci & Technol, State Environm Protect Key Lab Environm Risk Asse, Shanghai 200237, Peoples R China.
[Dai, Sheng] Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA.
RP Zhu, X; Liu, HL (reprint author), East China Univ Sci & Technol, Sch Chem & Mol Engn, State Key Lab Chem Engn, Shanghai 200237, Peoples R China.; Zhu, X; Dai, S (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.; Dai, S (reprint author), Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA.
EM zhuxiang.ecust@gmail.com; hlliu@ecust.edu.cn; dais@ornl.gov
OI , Sheng/0000-0002-8046-3931
FU National Natural Science Foundation of China [91334203, 21376074,
21507030]; Ministry of Education of China [B08021]; Fundamental Research
Funds for the Central Universities; Fund of Chinese Post-doctoral
Community [200-5R-1507]; Division of Chemical Sciences, Geosciences, and
Biosciences, Office of Basic Energy Sciences, US Department of Energy
FX This work is supported by the National Natural Science Foundation of
China (No. 91334203, 21376074 and 21507030), the 111 Project of Ministry
of Education of China (No. B08021), the Fundamental Research Funds for
the Central Universities and the Fund of Chinese Post-doctoral Community
(200-5R-1507). C. T. and S. D. were supported financially by the
Division of Chemical Sciences, Geosciences, and Biosciences, Office of
Basic Energy Sciences, US Department of Energy.
NR 49
TC 0
Z9 0
U1 3
U2 3
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 2017
VL 5
IS 9
BP 4507
EP 4512
DI 10.1039/c6ta09604b
PG 6
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EN3RR
UT WOS:000395926100028
ER
PT J
AU Vassilaras, P
Kwon, DH
Dacek, ST
Shi, T
Seo, DH
Ceder, G
Kim, JC
AF Vassilaras, Plousia
Kwon, Deok-Hwang
Dacek, Stephen T.
Shi, Tan
Seo, Dong-Hwa
Ceder, Gerbrand
Kim, Jae Chul
TI Electrochemical properties and structural evolution of O3-type layered
sodium mixed transition metal oxides with trivalent nickel
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID NA-ION BATTERIES; CATHODE MATERIALS; LITHIUM BATTERIES; HIGH-POWER;
1ST-PRINCIPLES CALCULATIONS; RECHARGEABLE BATTERIES; ELECTRODE
MATERIALS; POSITIVE ELECTRODE; HIGH-ENERGY; INTERCALATION
AB The electrochemical properties of NaNi0.5Co0.5O2 and NaNi0.5Fe0.5O2 and their structural transitions as a function of Na extraction associated with redox reactions are investigated in this work. Synthesized in the O3-type layered structure, both materials show reasonable electrochemical activities at room temperature, delivering approximately 0.5 Na per formula unit at C/10 discharge. More Na can be reversibly cycled in NaNi0.5Co0.5O2 at elevated temperature and/or in an extended voltage window, while NaNi0.5Fe0.5O2 shows significant capacity fading at a high voltage cutoff which is likely due to Fe4+ migration. In situ X-ray diffraction shows that the structural changes in the two materials upon desodiation are very different. NaNi0.5Co0.5O2 goes through many different two-phase reactions including three different O3-type and three different P3-type structures during cycling, producing a voltage profile with multiple plateau-like features. In contrast, NaNi0.5Fe0.5O2 has a smooth voltage profile and shows the typical O3-P3 phase transition without lattice distortion seen in other materials. This different structural evolution upon desodiation and re-sodiation can be explained by the electronic structure of the mixed transition metals and how it perturbs the ordering between Na ions differently.
C1 [Vassilaras, Plousia; Dacek, Stephen T.; Ceder, Gerbrand] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA.
[Kwon, Deok-Hwang; Shi, Tan; Seo, Dong-Hwa; Ceder, Gerbrand] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Ceder, Gerbrand; Kim, Jae Chul] Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.
RP Kim, JC (reprint author), Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.
EM jckim@lbl.gov
FU Samsung Advanced Institute of Technology; National Science Foundation
[ACI-1053575]; Office of Science of the US Department of Energy
[DE-C02-05CH11231]
FX This work was funded by the Samsung Advanced Institute of Technology. We
used computational assets of the Extreme Science and Engineering
Discovery Environment (XSEDE), which is supported by National Science
Foundation grant no. ACI-1053575. We also utilized resources of the
National Energy Research Scientific Computing Center (NERSC) and
Molecular Foundry at Lawrence Berkeley National Laboratory, a DOE Office
of Science User Facility supported by the Office of Science of the US
Department of Energy under contract no. DE-C02-05CH11231.
NR 89
TC 0
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U1 2
U2 2
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 2017
VL 5
IS 9
BP 4596
EP 4606
DI 10.1039/c6ta09220a
PG 11
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EN3RR
UT WOS:000395926100038
ER
PT J
AU Kurnia, F
Liu, CL
Liu, GQ
Vasudevan, RK
Yang, SM
Kalinin, SV
Valanoor, N
Hart, JN
AF Kurnia, Fran
Liu, Chunli
Liu, Guangqing
Vasudevan, Rama K.
Yang, Sang Mo
Kalinin, Sergei V.
Valanoor, Nagarajan
Hart, Judy N.
TI Localised nanoscale resistive switching in GaP thin films with low power
consumption
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID HETERO-EPITAXIAL GROWTH; CORE-SHELL NANOWIRES; MEMORY; RESISTANCE;
TRANSITION; BIPOLAR
AB Nanoscale localisation of the electroforming-free resistive switching (RS) behaviour in polycrystalline GaP thin films has been observed for the first time. A combination of conductive atomic force microscopy and first-order reversal curve current-voltage measurements indicated that the grain boundaries are the preferred sites for the formation of the conductive switching filaments. It is proposed, based on TEM and XPS results, that local electrochemical migration of Ga ions along the grain boundaries plays a critical role in the switching mechanism. In the low-resistance (ON) state, the conduction mechanism was found to be the space-charge-limited current mechanism, while the high-resistance (OFF) state was governed by the Frenkel-Poole mechanism. A high OFF/ON resistance ratio (similar to 10(4)) and lower power consumption than current RS devices, in addition to the easy integration of GaP with silicon substrates, make these GaP films promising for future applications in future non-volatile resistive random access memory (RRAM).
C1 [Kurnia, Fran; Liu, Guangqing; Valanoor, Nagarajan; Hart, Judy N.] UNSW Sydney, Sch Mat Sci & Engn, Sydney, NSW 2052, Australia.
[Liu, Chunli] Hankuk Univ Foreign Studies, Dept Phys, Yongin 449791, South Korea.
[Liu, Chunli] Hankuk Univ Foreign Studies, Oxide Res Ctr, Yongin 449791, South Korea.
[Vasudevan, Rama K.; Yang, Sang Mo; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Yang, Sang Mo] Sookmyung Womens Univ, Dept Phys, Seoul 04310, South Korea.
RP Hart, JN (reprint author), UNSW Sydney, Sch Mat Sci & Engn, Sydney, NSW 2052, Australia.
EM j.hart@unsw.edu.au
FU Australian Nanotechnology Network (ANN)
FX We thank the Australian Microscopy and Microanalysis Research Facility
(AMMRF, UNSW), and Electron Microscope Unit (EMU, UNSW) for technical
assistance. We acknowledge funding through an Overseas Travel Fellowship
from the Australian Nanotechnology Network (ANN). The scanning probe
microscopy experiments were supported by and conducted at the Center for
Nanophase Materials Sciences (RKV, SMY, SVK), which is a US DoE Office
of Science User Facility (CNMS proposal number: CNMS2016-153).
NR 45
TC 0
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U1 1
U2 1
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7526
EI 2050-7534
J9 J MATER CHEM C
JI J. Mater. Chem. C
PY 2017
VL 5
IS 8
BP 2153
EP 2159
DI 10.1039/c6tc04895a
PG 7
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA EN5MC
UT WOS:000396048600034
ER
PT J
AU Tung, DC
Lippold, JC
AF Tung, David C.
Lippold, John C.
TI Residual stress driven cracking in superalloy weldments
SO MATERIALS AT HIGH TEMPERATURES
LA English
DT Article
DE Nickel based superalloys; residual stress; fracture; grain boundaries;
precipitation
AB Superalloy weldments are normally given post weld heat treatments to homogenize the weld metal microstructure, relieve residual stress, and precipitate strengthening phases. The relationship between microstructure and post weld heat treatment is easily studied; it is less straightforward to study the effects of post weld heat treatment on residual stress relaxation. Using a self-restrained testing procedure, a relatively simple approach was used to investigate the effects of microstructure and post-weld heat treatment on cracking during residual stress relaxation. Candidate superalloys for Advanced Ultra Supercritical steam plants were studied. It was found that cracking due to residual stress relaxation is primarily dependent on grain size, and in cases of intermediate grain size, intragranular precipitation is a controlling factor. These results are in agreement with traditional stress relaxation cracking theories.
C1 [Tung, David C.] Ohio State Univ, Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Lippold, John C.] Ohio State Univ, Dept Welding Engn, Columbus, OH 43210 USA.
RP Tung, DC (reprint author), Ohio State Univ, Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM dctung@lanl.gov
FU Babcock Wilcox Company
FX This work was supported by the Babcock & Wilcox Company.
NR 17
TC 0
Z9 0
U1 3
U2 3
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 0960-3409
EI 1878-6413
J9 MATER HIGH TEMP
JI Mater. High Temp.
PY 2017
VL 34
IS 3
BP 186
EP 193
DI 10.1080/09603409.2016.1271763
PG 8
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA EN5JI
UT WOS:000396041100006
ER
PT J
AU Meng, XB
Wang, XW
Geng, DS
Ozgit-Akgun, C
Schneider, N
Elam, JW
AF Meng, Xiangbo
Wang, Xinwei
Geng, Dongsheng
Ozgit-Akgun, Cagla
Schneider, Nathanaelle
Elam, Jeffrey W.
TI Atomic layer deposition for nanomaterial synthesis and functionalization
in energy technology
SO MATERIALS HORIZONS
LA English
DT Review
ID LIGHT-EMITTING-DIODES; SENSITIZED SOLAR-CELLS; LITHIUM-ION BATTERIES;
THIN-FILM ENCAPSULATION; TEMPERATURE FUEL-CELLS; CORE-SHELL NANOWIRES;
OF-THE-ART; BUFFER LAYER; ZINC-OXIDE; ULTRAVIOLET ELECTROLUMINESCENCE
AB Atomic layer deposition (ALD) has been receiving more and more research attention in the past few decades, ascribed to its unrivaled capabilities in controlling material growth with atomic precision, manipulating novel nanostructures, tuning material composition, offering multiple choices in terms of crystallinity, and producing conformal and uniform film coverage, as well as its suitability for thermally sensitive substrates. These unique characteristics have made ALD an irreplaceable tool and research approach for numerous applications. In this review, we summarize the recent advances of ALD in several important areas including rechargeable secondary batteries, fuel cells, solar cells, and optoelectronics. With this review, we expect to exhibit ALD's versatile potential in providing unique solutions to various technical challenges and also hope to further expand ALD's applications in emerging areas.
C1 [Meng, Xiangbo] Univ Arkansas, Dept Mech Engn, Fayetteville, AR 72701 USA.
[Wang, Xinwei] Peking Univ, Shenzhen Grad Sch, Sch Adv Mat, Shenzhen 518055, Peoples R China.
[Geng, Dongsheng] Univ Sci & Technol Beijing, Sch Math & Phys, Ctr Green Innovat, Beijing 100083, Peoples R China.
[Ozgit-Akgun, Cagla] ASELSAN Inc, Microelect Guidance & Electroopt Business Sect, TR-06750 Ankara, Turkey.
[Schneider, Nathanaelle] EDF CNRS Chim ParisTech, UMR 7174, IRDEP, F-78401 Chatou, France.
[Schneider, Nathanaelle] Inst Photovolta Ile France IPVF, F-92160 Antony, France.
[Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA.
RP Meng, XB (reprint author), Univ Arkansas, Dept Mech Engn, Fayetteville, AR 72701 USA.
EM xbmeng@uark.edu; wangxw@pkusz.edu.cn; dgeng@ustb.edu.cn;
cakgun@aselsan.com.tr; n.schneider@chimie-paristech.fr; jelam@anl.gov
OI Geng, Dongsheng/0000-0003-0910-8985; Meng, Xiangbo/0000-0002-4631-7260
FU Center for Electrochemical Energy Science; Energy Frontier Research
Center - U.S. Department of Energy (DOE), Office of Science, Office of
Basic Energy Sciences; U.S. Department of Energy (DOE), Office of
Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Center for
Advanced Surface Engineering, under the National Science Foundation
[IIA-1457888]; Arkansas EPSCoR Program, ASSET III; University of
Arkansas, Fayetteville, AR, USA; NSFC [51672011]; Guangdong Natural
Science Funds [2015A030306036]; Shenzhen Science and Technology
Innovation Committee [KQCX20150327093155293]
FX The work by X.M. and J.W.E. was supported as part of the Center for
Electrochemical Energy Science, an Energy Frontier Research Center
funded by the U.S. Department of Energy (DOE), Office of Science, Office
of Basic Energy Sciences. Use of the Center for Nanoscale Materials, an
Office of Science user facility, was supported by the U.S. Department of
Energy (DOE), Office of Science, Office of Basic Energy Sciences, under
Contract No. DE-AC02-06CH11357. X.M. acknowledges partial support from
the Center for Advanced Surface Engineering, under the National Science
Foundation Grant No. IIA-1457888 and the Arkansas EPSCoR Program, ASSET
III. X.M. also appreciates the financial research support from the
University of Arkansas, Fayetteville, AR, USA. X.W. would like to thank
the financial support from NSFC (Grant No. 51672011), Guangdong Natural
Science Funds for Distinguished Young Scholar (Grant No.
2015A030306036), and Shenzhen Science and Technology Innovation
Committee (Grant No. KQCX20150327093155293).
NR 296
TC 0
Z9 0
U1 12
U2 12
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2051-6347
EI 2051-6355
J9 MATER HORIZ
JI Mater. Horizons
PY 2017
VL 4
IS 2
BP 133
EP 154
DI 10.1039/c6mh00521g
PG 22
WC Chemistry, Multidisciplinary; Materials Science, Multidisciplinary
SC Chemistry; Materials Science
GA EN6EV
UT WOS:000396098200003
ER
PT J
AU Prodius, D
Smetana, V
Steinberg, S
Wilk-Kozubek, M
Mudryk, Y
Pecharsky, VK
Mudring, AV
AF Prodius, D.
Smetana, V.
Steinberg, S.
Wilk-Kozubek, M.
Mudryk, Y.
Pecharsky, V. K.
Mudring, A. -V.
TI Breaking the paradigm: record quindecim charged magnetic ionic liquids
SO MATERIALS HORIZONS
LA English
DT Article
ID HOMOLEPTIC BIS(TRIFLUOROMETHANESULFONYL)AMIDE COMPLEX; NEAR-INFRARED
LUMINESCENCE; SOFT MATERIALS; ANION; HETEROCYCLES; CATALYSIS; CRYSTALS
AB A family of bis(trifluoromethanesulfonyl) amide-based ionic liquids of composition [RE5(C2H5-C3H3N2-CH2COO)(16)(H2O)(8)](Tf2N)(15)(RE = Er, Ho, Tm; C3H3N2 imidazolium moiety) featuring the cationic, record quindecim {15+} charged pentanuclear rare earth (RE)-containing ion [RE5(C2H5-C3H3N2-CH2COO)(16)(H2O)(8)](15+) has been synthesized and characterized. In addition, due to the presence of rare earth ions, these ionic liquids show a response tomagnetic fields with the highest effective magnetic moment observed so far for an ionic liquid and are rare examples of ionic liquids showing luminescence in the near-infrared. These ionic liquids also were successfully employed in a three-component synthesis of 2-pyrrolo-3'-yloxindole with an extremely low (<0.035 mol%) catalyst loading rate.
C1 [Prodius, D.; Smetana, V.; Steinberg, S.; Wilk-Kozubek, M.; Mudryk, Y.; Pecharsky, V. K.; Mudring, A. -V.] US DOE, Ames Lab, Ames, IA 50011 USA.
[Prodius, D.; Smetana, V.; Steinberg, S.; Wilk-Kozubek, M.; Mudryk, Y.; Pecharsky, V. K.; Mudring, A. -V.] Crit Mat Inst, Ames, IA 50011 USA.
[Wilk-Kozubek, M.; Pecharsky, V. K.; Mudring, A. -V.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
[Steinberg, S.] Rhein Westfal TH Aachen, Inst Inorgan Chem, Aachen, Germany.
[Wilk-Kozubek, M.] Wroclaw Res Ctr EIT, Dept Nanotechnol, 147 Stablowicka St, PL-54066 Wroclaw, Poland.
RP Mudring, AV (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA.; Mudring, AV (reprint author), Crit Mat Inst, Ames, IA 50011 USA.; Mudring, AV (reprint author), Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
EM mudring@iastate.edu
OI Mudring, Anja/0000-0002-2800-1684; Smetana,
Volodymyr/0000-0003-0763-1457
FU NSF [CHE-1465071]; Critical Materials Institute; Energy Innovation Hub -
U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy, Advanced Manufacturing Office; Division of Materials Science and
Engineering, Basic Energy Sciences Programs, Office of Science of the US
Department of Energy [DE-AC02-07CH11358]; Iowa State University
FX Financial support from the NSF (CHE-1465071) for the development and
synthesis of materials is gratefully acknowledged. Crystallographic
studies were supported by the Critical Materials Institute, an Energy
Innovation Hub funded by the U.S. Department of Energy, Office of Energy
Efficiency and Renewable Energy, Advanced Manufacturing Office. Magnetic
property measurements and crystallographic studies were supported by the
Division of Materials Science and Engineering, Basic Energy Sciences
Programs, Office of Science of the US Department of Energy under
contract No. DE-AC02-07CH11358 with Iowa State University. The authors
gratefully acknowledge Dr Oleksandr Dolotko and Dr Tarek Alammar
(AmesLab) for their assistance with the powder X-ray diffraction
analysis and photoluminescence experiments, and Dr Valeriu Mereacre
(KIT, Karlsruhe/Germany) for helpful discussions on the magnetic part of
this work.
NR 60
TC 1
Z9 1
U1 0
U2 0
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2051-6347
EI 2051-6355
J9 MATER HORIZ
JI Mater. Horizons
PY 2017
VL 4
IS 2
BP 217
EP 221
DI 10.1039/c6mh00468g
PG 5
WC Chemistry, Multidisciplinary; Materials Science, Multidisciplinary
SC Chemistry; Materials Science
GA EN6EV
UT WOS:000396098200006
ER
PT J
AU Mehta-Kolte, MG
Loutey, D
Wang, OW
Youngblut, MD
Hubbard, CG
Wetmore, KM
Conrad, ME
Coates, JD
AF Mehta-Kolte, Misha G.
Loutey, Dana
Wang, Ouwei
Youngblut, Matthew D.
Hubbard, Christopher G.
Wetmore, Kelly M.
Conrad, Mark E.
Coates, John D.
TI Mechanism of H2S Oxidation by the Dissimilatory Perchlorate-Reducing
Microorganism Azospira suillum PS
SO MBIO
LA English
DT Article
ID NADH-QUINONE OXIDOREDUCTASES; HYDROGEN-SULFIDE; SULFUR OXIDATION;
REDUCTASE SQR; RNA-SEQ; BACTERIA; (PER)CHLORATE; IRON; STRESS;
FRACTIONATION
AB The genetic and biochemical basis of perchlorate-dependent H2S oxidation (PSOX) was investigated in the dissimilatory perchlorate-reducing microorganism (DPRM) Azospira suillum PS (PS). Previously, it was shown that all known DPRMs innately oxidize H2S, producing elemental sulfur (S-o). Although the process involving PSOX is thermodynamically favorable (Delta G(circle r) = -206 kJ . mol (-1) H2S), the underlying biochemical and genetic mechanisms are currently unknown. Interestingly, H2S is preferentially utilized over physiological electron donors such as lactate or acetate although no growth benefit is obtained from the metabolism. Here, we determined that PSOX is due to a combination of enzymatic and abiotic interactions involving reactive intermediates of perchlorate respiration. Using various approaches, including barcode analysis by sequencing (Bar-seq), transcriptome sequencing (RNA-seq), and proteomics, along with targeted mutagenesis and biochemical characterization, we identified all facets of PSOX in PS. In support of our proposed model, deletion of identified upregulated PS genes traditionally known to be involved in sulfur redox cycling (e.g., Sox, sulfide:quinone reductase [SQR]) showed no defect in PSOX activity. Proteomic analysis revealed differential abundances of a variety of stress response metal efflux pumps and divalent heavy-metal transporter proteins, suggesting a general toxicity response. Furthermore, in vitro biochemical studies demonstrated direct PSOX mediated by purified perchlorate reductase (PcrAB) in the absence of other electron transfer proteins. The results of these studies support a model in which H2S oxidation is mediated by electron transport chain short-circuiting in the periplasmic space where the PcrAB directly oxidizes H2S to S-o. The biogenically formed reactive intermediates (ClO2 (-) and O-2) subsequently react with additional H2S, producing polysulfide and So as end products.
IMPORTANCE Inorganic sulfur compounds are widespread in nature, and microorganisms are central to their transformation, thereby playing a key role in the global sulfur cycle. Sulfur oxidation is mediated by a broad phylogenetic diversity of microorganisms, including anoxygenic phototrophs and either aerobic or anaerobic chemotrophs coupled to oxygen or nitrate respiration, respectively. Recently, perchlorate-respiring microorganisms were demonstrated to be innately capable of sulfur oxidation regardless of their phylogenetic affiliation. As recognition of the prevalence of these organisms intensifies, their role in global geochemical cycles is being queried. This is further highlighted by the recently recognized environmental pervasiveness of perchlorate not only across Earth but also throughout our solar system. The inferred importance of this metabolism not only is that it is a novel and previously unrecognized component of the global sulfur redox cycle but also is because of the recently demonstrated applicability of perchlorate respiration in the control of biogenic sulfide production in engineered environments such as oil reser-voirs and wastewater treatment facilities, where excess H2S represents a significant environmental, process, and health risk, with associated costs approximating $90 billion annually.
C1 [Mehta-Kolte, Misha G.; Loutey, Dana; Wang, Ouwei; Youngblut, Matthew D.; Wetmore, Kelly M.; Coates, John D.] Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94720 USA.
[Wang, Ouwei; Coates, John D.] Univ Calif Berkeley, Plant & Microbial Biol Dept, Berkeley, CA 94720 USA.
[Hubbard, Christopher G.; Conrad, Mark E.] Lawrence Berkeley Natl Lab, Earth & Environm Sci Area, Berkeley, CA USA.
RP Coates, JD (reprint author), Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94720 USA.
EM jdcoates@berkeley.edu
FU Energy Biosciences Institute, Berkeley, CA
FX Funding supporting the research on sulfur oxidation coupled to
perchlorate reduction in the laboratory of J. D. Coates was provided by
the Energy Biosciences Institute, Berkeley, CA.
NR 49
TC 0
Z9 0
U1 4
U2 4
PU AMER SOC MICROBIOLOGY
PI WASHINGTON
PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA
SN 2150-7511
J9 MBIO
JI mBio
PD JAN-FEB
PY 2017
VL 8
IS 1
AR e02023- 16
DI 10.1128/mBio.02023-16
PG 16
WC Microbiology
SC Microbiology
GA EN2JE
UT WOS:000395835000042
ER
PT J
AU Olm, MR
Butterfield, CN
Copeland, A
Boles, TC
Thomas, BC
Banfield, JF
AF Olm, Matthew R.
Butterfield, Cristina N.
Copeland, Alex
Boles, T. Christian
Thomas, Brian C.
Banfield, Jillian F.
TI The Source and Evolutionary History of a Microbial Contaminant
Identified Through Soil Metagenomic Analysis
SO MBIO
LA English
DT Article
ID BACILLUS-ANTHRACIS; ESCHERICHIA-COLI; SEQUENCING DATA; UNITED-STATES;
DIVERSITY; BACTERIA; OUTBREAK; GENOMES; SAMPLES; THOUSANDS
AB In this study, strain-resolved metagenomics was used to solve a mystery. A 6.4-Mbp complete closed genome was recovered from a soil metagenome and found to be astonishingly similar to that of Delftia acidovorans SPH-1, which was isolated in Germany a decade ago. It was suspected that this organism was not native to the soil sample because it lacked the diversity that is characteristic of other soil organisms; this suspicion was confirmed when PCR testing failed to detect the bacterium in the original soil samples. D. acidovorans was also identified in 16 previously published metagenomes from multiple environments, but detailed-scale single nucleotide polymorphism analysis grouped these into five distinct clades. All of the strains indicated as contaminants fell into one clade. Fragment length anomalies were identified in paired reads mapping to the contaminant clade genotypes only. This finding was used to establish that the DNA was present in specific size selection reagents used during sequencing. Ultimately, the source of the contaminant was identified as bacterial biofilms growing in tubing. On the basis of direct measurement of the rate of fixation of mutations across the period of time in which contamination was occurring, we estimated the time of separation of the contaminant strain from the genomically sequenced ancestral population within a factor of 2. This research serves as a case study of high-resolution microbial forensics and strain tracking accomplished through metagenomics-based comparative genomics. The specific case reported here is unusual in that the study was conducted in the background of a soil metagenome and the conclusions were confirmed by independent methods.
IMPORTANCE It is often important to determine the source of a microbial strain. Examples include tracking a bacterium linked to a disease epidemic, contaminating the food supply, or used in bioterrorism. Strain identification and tracking are generally approached by using cultivation-based or relatively nonspecific gene fingerprinting methods. Genomic methods have the ability to distinguish strains, but this approach typically has been restricted to isolates or relatively low-complexity communities. We demonstrate that strain-resolved metagenomics can be applied to extremely complex soil samples. We genotypically defined a soil-associated bacterium and identified it as a contaminant. By linking together snapshots of the bacterial genome over time, it was possible to estimate how long the contaminant had been diverging from a likely source population. The results are congruent with the derivation of the bacterium from a strain isolated in Germany and sequenced a decade ago and highlight the utility of metagenomics in strain tracking.
C1 [Olm, Matthew R.; Butterfield, Cristina N.; Thomas, Brian C.; Banfield, Jillian F.] Univ Calif Berkeley, Berkeley, CA 94720 USA.
[Copeland, Alex] Joint Genome Inst, Walnut Creek, CA USA.
[Boles, T. Christian] Sage Sci Inc, Beverly, MA USA.
RP Banfield, JF (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA.
EM jbanfield@berkeley.edu
FU Office of Science, Office of Biological and Environmental Research, U.S.
Department of Energy [DOE-SC10010566]; U.S. Department of Energy Joint
Genome Institute [DE-AC02-05CH11231]; National Science Foundation
Graduate Research Fellowship [DGE 1106400]
FX This work was supported by the Office of Science, Office of Biological
and Environmental Research, U.S. Department of Energy (grant
DOE-SC10010566). The sequencing was conducted by the U.S. Department of
Energy Joint Genome Institute, a DOE Office of Science User Facility,
and Lawrence Berkeley National Laboratory under contract
DE-AC02-05CH11231. This material is based upon work supported by the
National Science Foundation Graduate Research Fellowship under grant no.
DGE 1106400.
NR 60
TC 0
Z9 0
U1 1
U2 1
PU AMER SOC MICROBIOLOGY
PI WASHINGTON
PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA
SN 2150-7511
J9 MBIO
JI mBio
PD JAN-FEB
PY 2017
VL 8
IS 1
AR e01969-16
DI 10.1128/mBio.01969-16
PG 12
WC Microbiology
SC Microbiology
GA EN2JE
UT WOS:000395835000052
ER
PT J
AU Wu, VW
Dana, CM
Iavarone, AT
Clark, DS
Glass, NL
AF Wu, Vincent W.
Dana, Craig M.
Iavarone, Anthony T.
Clark, Douglas S.
Glass, N. Louise
TI Identification of Glutaminyl Cyclase Genes Involved in Pyroglutamate
Modification of Fungal Lignocellulolytic Enzymes
SO MBIO
LA English
DT Article
ID N-TERMINAL PYROGLUTAMATE; DIPEPTIDYL PEPTIDASE IV; NEUROSPORA-CRASSA;
TRICHODERMA-REESEI; CRYSTAL-STRUCTURE; 3-DIMENSIONAL STRUCTURE;
FILAMENTOUS FUNGUS; CELLULASE ACTIVITY; SYSTEMS-ANALYSIS; CATALYTIC CORE
AB The breakdown of plant biomass to simple sugars is essential for the production of second-generation biofuels and high-value bioproducts. Currently, enzymes produced from filamentous fungi are used for deconstructing plant cell wall polysaccharides into fermentable sugars for biorefinery applications. A post-translational N-terminal pyroglutamate modification observed in some of these enzymes occurs when N-terminal glutamine or glutamate is cyclized to form a five-membered ring. This modification has been shown to confer resistance to thermal denaturation for CBH-1 and EG-1 cellulases. In mammalian cells, the formation of pyroglutamate is catalyzed by glutaminyl cyclases. Using the model filamentous fungus Neurospora crassa, we identified two genes (qc-1 and qc-2) that encode proteins homologous to mammalian glutaminyl cyclases. We show that qc-1 and qc-2 are essential for catalyzing the formation of an N-terminal pyroglutamate on CBH-1 and GH5-1. CBH-1 and GH5-1 produced in a Delta qc-1 Delta qc-2 mutant, and thus lacking the N-terminal pyroglutamate modification, showed greater sensitivity to thermal denaturation, and for GH5-1, susceptibility to proteolytic cleavage. QC-1 and QC-2 are endoplasmic reticulum (ER)-localized proteins. The pyroglutamate modification is predicted to occur in a number of additional fungal proteins that have diverse functions. The identification of glutaminyl cyclases in fungi may have implications for production of lignocellulolytic enzymes, heterologous expression, and biotechnological applications revolving around protein stability.
IMPORTANCE Pyroglutamate modification is the post-translational conversion of N-terminal glutamine or glutamate into a cyclized amino acid derivative. This modification is well studied in animal systems but poorly explored in fungal systems. In Neurospora crassa, we show that this modification takes place in the ER and is catalyzed by two well-conserved enzymes, ubiquitously conserved throughout the fungal kingdom. We demonstrate that the modification is important for the structural stability and aminopeptidase resistance of CBH-1 and GH5-1, two important cellulase enzymes utilized in industrial plant cell wall deconstruction. Many additional fungal proteins predicted in the genome of N. crassa and other filamentous fungi are predicted to carry an N-terminal pyroglutamate modification. Pyroglutamate addition may also be a useful way to stabilize secreted proteins and peptides, which can be easily produced in fungal production systems.
C1 [Wu, Vincent W.; Glass, N. Louise] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.
[Wu, Vincent W.; Dana, Craig M.; Clark, Douglas S.; Glass, N. Louise] Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94720 USA.
[Dana, Craig M.; Clark, Douglas S.] Univ Calif Berkeley, Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Iavarone, Anthony T.] Univ Calif Berkeley, QB3 Chem Mass Spectrometry Facil, Berkeley, CA 94720 USA.
[Glass, N. Louise] Lawrence Berkeley Natl Lab, Berkeley, CA USA.
RP Glass, NL (reprint author), Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.; Glass, NL (reprint author), Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94720 USA.; Glass, NL (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA USA.
EM Lglass@berkeley.edu
FU Energy Biosciences Institute; National Institutes of Health
[1S10OD020062-01]
FX This work was supported by a grant from the Energy Biosciences Institute
to N.L.G. and D.S.C. The QB3/Chemistry Mass Spectrometry Facility at the
University of California Berkeley receives support from the National
Institutes of Health (grant 1S10OD020062-01).
NR 59
TC 0
Z9 0
U1 3
U2 3
PU AMER SOC MICROBIOLOGY
PI WASHINGTON
PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA
SN 2150-7511
J9 MBIO
JI mBio
PD JAN-FEB
PY 2017
VL 8
IS 1
AR e02231-16
DI 10.1128/mBio.02231-16
PG 13
WC Microbiology
SC Microbiology
GA EN2JE
UT WOS:000395835000085
ER
PT J
AU Pathi, P
Peer, A
Biswas, R
AF Pathi, Prathap
Peer, Akshit
Biswas, Rana
TI Nano-Photonic Structures for Light Trapping in Ultra-Thin Crystalline
Silicon Solar Cells
SO NANOMATERIALS
LA English
DT Article
DE nano-photonics; solar cell; light-trapping; scattering
ID FUNDAMENTAL LIMIT; BROAD-BAND; EFFICIENCY; GRATINGS
AB Thick wafer-silicon is the dominant solar cell technology. It is of great interest to develop ultra-thin solar cells that can reduce materials usage, but still achieve acceptable performance and high solar absorption. Accordingly, we developed a highly absorbing ultra-thin crystalline Si based solar cell architecture using periodically patterned front and rear dielectric nanocone arrays which provide enhanced light trapping. The rear nanocones are embedded in a silver back reflector. In contrast to previous approaches, we utilize dielectric photonic crystals with a completely flat silicon absorber layer, providing expected high electronic quality and low carrier recombination. This architecture creates a dense mesh of wave-guided modes at near-infrared wavelengths in the absorber layer, generating enhanced absorption. For thin silicon (<2 m) and 750 nm pitch arrays, scattering matrix simulations predict enhancements exceeding 90%. Absorption approaches the Lambertian limit at small thicknesses (<10 m) and is slightly lower (by similar to 5%) at wafer-scale thicknesses. Parasitic losses are similar to 25% for ultra-thin (2 m) silicon and just 1%-2% for thicker (>100 m) cells. There is potential for 20 m thick cells to provide 30 mA/cm(2) photo-current and >20% efficiency. This architecture has great promise for ultra-thin silicon solar panels with reduced material utilization and enhanced light-trapping.
C1 [Pathi, Prathap] Iowa State Univ, Microelect Res Ctr, Ames Lab, Ames, IA 50011 USA.
[Pathi, Prathap] CSIR Natl Phys Lab, Silicon Solar Cell Div, Dr KS Krishnan Rd, New Delhi 110012, India.
[Peer, Akshit] Iowa State Univ, Ames Lab, Microelect Res Ctr, Dept Elect & Comp Engn, Ames, IA 50011 USA.
[Biswas, Rana] Iowa State Univ, Ames Lab, Microelect Res Ctr, Dept Phys & Astron,Dept Elect & Comp Engn, Ames, IA 50011 USA.
RP Biswas, R (reprint author), Iowa State Univ, Ames Lab, Microelect Res Ctr, Dept Phys & Astron,Dept Elect & Comp Engn, Ames, IA 50011 USA.
EM prathap@nplindia.org; apeer@iastate.edu; biswasr@iastate.edu
FU U.S. Department of Energy (DOE), Office of Science, Basic Energy
Sciences, Materials Science and Engineering Division; U.S. DOE by Iowa
State University [DE-AC02-07CH11358]; IUSSTF (Indo-US Science and
Technology Forum); DST (Department of Science & Technology), Govt. of
India, under the BASE (Bhaskara Advanced Solar Energy) Fellowship
program [2014/F-3/Prathap Pathi]; Office of Science of the U.S. DOE
[DE-AC02-05CH11231]
FX This work was supported (in part, Rana Biswas, Akshit Peer) by the U.S.
Department of Energy (DOE), Office of Science, Basic Energy Sciences,
Materials Science and Engineering Division. The research was performed
at Ames Laboratory, which is operated for the U.S. DOE by Iowa State
University under contract # DE-AC02-07CH11358. This work was also
supported (in part, Prathap Pathi) by the IUSSTF (Indo-US Science and
Technology Forum) and DST (Department of Science & Technology), Govt. of
India, under the BASE (Bhaskara Advanced Solar Energy) Fellowship
program (Award No. 2014/F-3/Prathap Pathi). The research used resources
at the National Energy Research Scientific Computing Center (NERSC),
which is supported by the Office of Science of the U.S. DOE under
Contract No. DE-AC02-05CH11231.
NR 44
TC 0
Z9 0
U1 2
U2 2
PU MDPI AG
PI BASEL
PA ST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLAND
SN 2079-4991
J9 NANOMATERIALS-BASEL
JI Nanomaterials
PD JAN
PY 2017
VL 7
IS 1
DI 10.3390/nano7010017
PG 16
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
SC Science & Technology - Other Topics; Materials Science
GA EM6VT
UT WOS:000395451300016
ER
PT J
AU Keenan, TF
Niinemets, U
AF Keenan, Trevor F.
Niinemets, Uelo
TI Global leaf trait estimates biased due to plasticity in the shade
SO NATURE PLANTS
LA English
DT Article
ID WITHIN-CANOPY VARIATION; ECONOMICS SPECTRUM; PHOTOSYNTHETIC CAPACITY;
FUNCTIONAL TRAITS; AREA; MASS; METAANALYSIS; NITROGEN; DENSITY;
TEMPERATE
AB The study of leaf functional trait relationships, the so-called leaf economics spectrum(1,2), is based on the assumption of high-light conditions (as experienced by sunlit leaves). Owing to the exponential decrease of light availability through canopies, however, the vast majority of the world's vegetation exists in at least partial shade. Plant functional traits vary in direct dependence of light availability(3), with different traits varying to different degrees, sometimes in conflict with expectations from the economic spectrum(3). This means that the derived trait relationships of the global leaf economic spectrum are probably dependent on the extent to which observed data in existing large-scale plant databases represent high-light conditions. Here, using an extensive worldwide database of within-canopy gradients of key physiological, structural and chemical traits(3), along with three different global trait databases(4,5), we show that: (1) accounting for light-driven trait plasticity can reveal novel trait relationships, particularly for highly plastic traits (for example, the relationship between net assimilation rate per area (A(a)) and leaf mass per area (LMA)); and (2) a large proportion of leaf traits in current global plant databases reported as measured in full sun were probably measured in the shade. The results show that even though the majority of leaves exist in the shade, along with a large proportion of observations, our current understanding is too focused on conditions in the sun.
C1 [Keenan, Trevor F.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Niinemets, Uelo] Estonian Univ Life Sci, Kreutzwaldi 1, EE-51014 Tartu, Estonia.
[Niinemets, Uelo] Estonian Acad Sci, Kohtu 6, EE-10130 Tallinn, Estonia.
RP Keenan, TF (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM trevorkeenan@lbl.gov
FU Laboratory Directed Research and Development (LDRD) fund under
Department of Energy, Biological and Environmental Research Office of
Science at Lawrence Berkeley National Laboratory
FX T.F.K. acknowledges the financial support from the Laboratory Directed
Research and Development (LDRD) fund under the auspices of Department of
Energy, Biological and Environmental Research Office of Science at
Lawrence Berkeley National Laboratory. U.N. acknowledges the European
Regional Development Fund (Centre of Excellence EcolChange) and the
Estonian Ministry of Science and Education (institutional grant
IUT-8-3). The authors acknowledge useful feedback from W. Han on an
earlier version of the manuscript.
NR 35
TC 0
Z9 0
U1 5
U2 5
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2055-026X
EI 2055-0278
J9 NAT PLANTS
JI Nat. Plants
PD JAN
PY 2017
VL 3
IS 1
AR 16201
DI 10.1038/nplants.2016.201
PG 6
WC Plant Sciences
SC Plant Sciences
GA EN3HI
UT WOS:000395899200003
ER
PT J
AU Garcia-Hernandez, E
Flores-Moreno, R
Vazquez-Mayagoitia, A
Vargas, R
Garza, J
AF Garcia-Hernandez, Erwin
Flores-Moreno, Roberto
Vazquez-Mayagoitia, Alvaro
Vargas, Rubicelia
Garza, Jorge
TI Initial stage of the degradation of three common neonicotinoids:
theoretical prediction of charge transfer sites
SO NEW JOURNAL OF CHEMISTRY
LA English
DT Article
ID FUKUI FUNCTION INDEXES; NICOTINIC RECEPTOR; PROCESSING UNITS; MOLECULAR
CHARGE; CRITICAL-POINTS; NON-NEGATIVITY; INSECTICIDES; REACTIVITY;
DENSITY; ELECTRONEGATIVITY
AB Three of the most important compounds in the insecticide industry, imidacloprid (IMI), thiacloprid (THIA) and acetamiprid (ACE), are theoretically analyzed. Wave-function and density functional theory (DFT) were used for the conformational analysis of the three compounds. In the context of conceptual DFT, by analyzing the local electrodonating power for the first stage of the degradation of these insecticides, we found that for THIA and ACE, solvated or free, there is more than one site where the electron is detached. Usually, just one nitrogen atom from the imidazolidine group is considered for the first step in the degradation process. However, in this work we propose at least one additional site for these two compounds, which involves another nitrogen atom. In addition, the theoretical approach presented in this article predicts one acetamiprid tautomer, which gives one additional site to detach one electron. Such a possibility has not been proposed before and to experimentally search new pathways for the degradation of these insecticides can give important information.
C1 [Garcia-Hernandez, Erwin; Vargas, Rubicelia; Garza, Jorge] Univ Autonoma Metropolitana Iztapalapa, Dept Quim, Div Ciencias Basicas & Ingn, Mexico City 09340, DF, Mexico.
[Garcia-Hernandez, Erwin] Inst Tecnol Super Zacapoaxtla, Div Mecatron, Dept Posgrad & Invest, Carretera Acuaco Zacapoaxtla Kilometro 8, Totoltepec 73680, Zacapoaxtla Pue, Mexico.
[Flores-Moreno, Roberto] Dept Quim, Univ Guadalajara Blvd,Marcelino Garcia Barragan 1, Guadalajara 44430, Jalisco, Mexico.
[Vazquez-Mayagoitia, Alvaro] Argonne Natl Lab, Argonne Leadership Comp Facil, 9700 S Cass Av, Argonne, IL 60439 USA.
RP Garza, J (reprint author), Univ Autonoma Metropolitana Iztapalapa, Dept Quim, Div Ciencias Basicas & Ingn, Mexico City 09340, DF, Mexico.
EM jgo@xanum.uam.mx
FU CONACYT, Mexico [240842, 155070, 154784]; PRODEP through the project
Fisicoquimica de Productos Naturales (Redes Tematicas); DOE Office of
Science User Facility [DE-AC02-06CH11357]
FX We thank the Laboratorio de Supercomputo y Visualizacion en Paralelo of
the Universidad Autonoma Metropolitana-Iztapalapa for access to its
computer facilities. E. G.-H., J. G. and R. V. thank CONACYT, Mexico,
for financial support in the form of scholarship 240842 and projects
155070 and 154784 respectively. Partial support was provided by PRODEP
through the project Fisicoquimica de Productos Naturales (Redes
Tematicas). This research used resources of the Argonne Leadership
Computing Facility, which is a DOE Office of Science User Facility
supported under Contract DE-AC02-06CH11357.
NR 68
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U1 3
U2 3
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1144-0546
EI 1369-9261
J9 NEW J CHEM
JI New J. Chem.
PY 2017
VL 41
IS 3
BP 965
EP 974
DI 10.1039/c6nj02655a
PG 10
WC Chemistry, Multidisciplinary
SC Chemistry
GA EM1PJ
UT WOS:000395089200008
ER
PT J
AU Mao, XY
Lee, MJ
Zhu, J
Zhu, C
Law, SM
Snijders, AM
AF Mao, Xuan Y.
Lee, Matthew J.
Zhu, Jeffrey
Zhu, Carissa
Law, Sindy M.
Snijders, Antoine M.
TI Genome-wide screen identifies a novel prognostic signature for breast
cancer survival
SO ONCOTARGET
LA English
DT Article
DE breast cancer; prognostic score; relapse-free survival; gene biomarkers
ID LEUCINE-ZIPPER KINASE; TUMOR-SUPPRESSOR PLZF; DOWN-REGULATION; SIGNALING
PATHWAY; CELL-DEATH; EXPRESSION; PROLIFERATION; APOPTOSIS; TIMM17A;
GROWTH
AB Large genomic datasets in combination with clinical data can be used as an unbiased tool to identify genes important in patient survival and discover potential therapeutic targets. We used a genome-wide screen to identify 587 genes significantly and robustly deregulated across four independent breast cancer (BC) datasets compared to normal breast tissue. Gene expression of 381 genes was significantly associated with relapse-free survival (RFS) in BC patients. We used a gene co-expression network approach to visualize the genetic architecture in normal breast and BCs. In normal breast tissue, co-expression cliques were identified enriched for cell cycle, gene transcription, cell adhesion, cytoskeletal organization and metabolism. In contrast, in BC, only two major co-expression cliques were identified enriched for cell cycle-related processes or blood vessel development, cell adhesion and mammary gland development processes. Interestingly, gene expression levels of 7 genes were found to be negatively correlated with many cell cycle related genes, highlighting these genes as potential tumor suppressors and novel therapeutic targets. A forward-conditional Cox regression analysis was used to identify a 12-gene signature associated with RFS. A prognostic scoring system was created based on the 12-gene signature. This scoring system robustly predicted BC patient RFS in 60 sampling test sets and was further validated in TCGA and METABRIC BC data. Our integrated study identified a 12-gene prognostic signature that could guide adjuvant therapy for BC patients and includes novel potential molecular targets for therapy.
C1 [Mao, Xuan Y.; Lee, Matthew J.; Zhu, Jeffrey; Zhu, Carissa; Snijders, Antoine M.] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA.
[Law, Sindy M.] Univ Calif San Francisco, Dept Psychiat, Weill Inst Neurosci, San Francisco, CA USA.
RP Snijders, AM (reprint author), Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA.
EM AMSnijders@lbl.gov
FU Low Dose Scientific Focus Area, Office of Biological and Environmental
Research, U.S. Department of Energy [DE AC02-05CH11231]
FX A.M.S. was supported by the Low Dose Scientific Focus Area, Office of
Biological and Environmental Research, U.S. Department of Energy under
Contract No. DE AC02-05CH11231.
NR 62
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PU IMPACT JOURNALS LLC
PI ORCHARD PARK
PA 6666 E QUAKER ST, STE 1, ORCHARD PARK, NY 14127 USA
SN 1949-2553
J9 ONCOTARGET
JI Oncotarget
PY 2017
VL 8
IS 8
BP 14003
EP 14016
DI 10.18632/oncotarget.14776
PG 14
WC Oncology; Cell Biology
SC Oncology; Cell Biology
GA EN0HX
UT WOS:000395692000134
ER
PT J
AU Bauer, W
Fox, C
Gosse, R
Perram, G
AF Bauer, William
Fox, Charlie
Gosse, Ryan
Perram, Glen
TI Visible emission from C-2 and CN during cw laser-irradiated graphite
SO OPTICAL ENGINEERING
LA English
DT Article
DE graphite; cw laser irradiation; optical emission spectroscopy; C-2; CN;
surface temperatures
ID OPTICAL-EMISSION; CARBON PLASMA; SWAN SYSTEM; SPECTROSCOPY; NITROGEN;
ABLATION; SPECTRA; DENSITY; AMBIENT; BANDS
AB Porous graphite samples were irradiated with up to 3.5 kW/cm(2) and 1 MJ deposited energy from a continuous wave ytterbium 1.07-mu m fiber laser. Visible emission spectroscopy reveals C-2 Swan (d(3)Pi(g)-a(3)Pi(u)) Delta v = +/- 2, +/- 1, and 0 sequences, CN red (A(2)Pi-X-2 Sigma(+)) Delta v = -4, -3 sequences, CN violet (B-2 Sigma(+)-X-2 Sigma(+)) Delta v = +1,0 sequences, and Li, Na, and (KP3/2,1/2)-P-2-S-2(1/2) doublets. Surface temperatures increased from similar to 2500 K at 0.7 kW/cm(2) to similar to 4000 K at 3.5 kW/cm(2). Spectral emissivity at 3.9 mu m ranging from 0.74 to 0.93 increases by similar to 8% after laser irradiation. Spectral simulations demonstrate that the ratio of C-2(d) and CN(A) column densities are independent of sample porosity. Column densities increase from 0.00093 to 1.6x10(12) molecules/cm(2) for CN(A) and 0.00014 to 1.4x10(9) molecules/cm(2) for C-2(d) as laser intensity increases from 1.4 to 3.5 kW/cm(2). Surface temperatures increase by 134 K and CN(A) and C-2(d) emissions increase by 100% and 4200%, respectively, in stagnation air flow of 5 m/s. (C) 2016 Society of Photo-Optical Instrumentation Engineers (SPIE)
C1 [Bauer, William; Fox, Charlie; Perram, Glen] US Air Force, Inst Technol, Dept Engn Phys, 2950 Hobson Way, Wright Patterson AFB, OH 45433 USA.
[Fox, Charlie] Oak Ridge Inst Sci & Educ, 1299 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
[Gosse, Ryan] US Air Force, Res Lab, Aerosp Syst Directorate, 2210 8th St,B20146, Wright Patterson AFB, OH 45433 USA.
RP Perram, G (reprint author), US Air Force, Inst Technol, Dept Engn Phys, 2950 Hobson Way, Wright Patterson AFB, OH 45433 USA.
EM glen.perram@afit.edu
FU High Energy Laser Joint Technology Office; Air Force Research
Laboratory; Laser Hardened Material Evaluation Laboratory at the Air
Force Research Laboratory, Materials and Manufacturing Directorate,
Wright-Patterson Air Force Base, Ohio
FX This work was funded in part by a grant from the High Energy Laser Joint
Technology Office and by the Air Force Research Laboratory. The authors
greatly appreciate the access to and support from the Laser Hardened
Material Evaluation Laboratory at the Air Force Research Laboratory,
Materials and Manufacturing Directorate, Wright-Patterson Air Force
Base, Ohio.
NR 41
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PU SPIE-SOC PHOTO-OPTICAL INSTRUMENTATION ENGINEERS
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA
SN 0091-3286
EI 1560-2303
J9 OPT ENG
JI Opt. Eng.
PD JAN
PY 2017
VL 56
IS 1
AR 011017
DI 10.1117/1.OE.56.1.011017
PG 10
WC Optics
SC Optics
GA EO0LN
UT WOS:000396389400020
ER
PT J
AU Bellum, J
Winstone, T
Lamaignere, L
Sozet, M
Kimmel, M
Rambo, P
Field, E
Kletecka, D
AF Bellum, John
Winstone, Trevor
Lamaignere, Laurent
Sozet, Martin
Kimmel, Mark
Rambo, Patrick
Field, Ella
Kletecka, Damon
TI Analysis of laser damage tests on coatings designed for broad bandwidth
high reflection of femtosecond pulses
SO OPTICAL ENGINEERING
LA English
DT Article
DE optical coatings; broad bandwidth high reflection; high laser-induced
damage thresholds
ID SUBPICOSECOND REGIME
AB We designed an optical coating based on TiO2/SiO2 layer pairs for broad bandwidth high reflection (BBHR) at 45-deg angle of incidence (AOI), P polarization of femtosecond (fs) laser pulses of 900-nm center wavelength, and produced the coatings in Sandia's large optics coater by reactive, ion-assisted e-beam evaporation. This paper reports on laser-induced damage threshold (LIDT) tests of these coatings. The broad HR bands of BBHR coatings pose challenges to LIDT tests. An ideal test would be in a vacuum environment appropriate to a high energy, fs-pulse, petawatt-class laser, with pulses identical to its fs pulses. Short of this would be tests over portions of the HR band using nanosecond or sub-picosecond pulses produced by tunable lasers. Such tests could, e.g., sample 10-nm-wide wavelength intervals with center wavelengths tunable over the broad HR band. Alternatively, the coating's HR band could be adjusted by means of wavelength shifts due to changing the AOI of the LIDT tests or due to the coating absorbing moisture under ambient conditions. We had LIDT tests performed on the BBHR coatings at selected AOIs to gain insight into their laser damage properties and analyze how the results of the different LIDT tests compare. (C) The Authors. Published by SPIE under a Creative Commons Attribution 3.0 Unported License. Distribution or reproduction of this work in whole or in part requires full attribution of the original publication, including its DOI.
C1 [Bellum, John; Kimmel, Mark; Rambo, Patrick; Field, Ella; Kletecka, Damon] Sandia Natl Labs, POB 5800,MS 1197, Albuquerque, NM 87185 USA.
[Winstone, Trevor] STFC Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England.
[Lamaignere, Laurent; Sozet, Martin] Ctr Etud Sci & Tech Aquitaine, Commissariat Energie Atom & Energies Alternat, 15 Ave Sablieres,CS 60001, F-33116 Le Barp, France.
RP Bellum, J (reprint author), Sandia Natl Labs, POB 5800,MS 1197, Albuquerque, NM 87185 USA.
EM jcbellu@sandia.gov
OI Bellum, John/0000-0003-2230-5553
FU US Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX This paper is based in part on an invited talk presented by one of us
(J. C. B.) at the Pacific Rim Laser Damage 2015; Optical Materials for
High Power Lasers Conference in Shanghai, China. Sandia National
Laboratories is a multiprogram laboratory managed and operated by Sandia
Corporation, a wholly owned subsidiary of Lockheed Martin Corporation,
for the US Department of Energy's National Nuclear Security
Administration under contract DE-AC04-94AL85000.
NR 25
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U1 1
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PU SPIE-SOC PHOTO-OPTICAL INSTRUMENTATION ENGINEERS
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA
SN 0091-3286
EI 1560-2303
J9 OPT ENG
JI Opt. Eng.
PD JAN
PY 2017
VL 56
IS 1
AR 011012
DI 10.1117/1.OE.56.1.011012
PG 13
WC Optics
SC Optics
GA EO0LN
UT WOS:000396389400015
ER
PT J
AU Bellum, JC
Field, ES
Kletecka, DE
Rambo, PK
Smith, IC
AF Bellum, John C.
Field, Ella S.
Kletecka, Damon E.
Rambo, Patrick K.
Smith, Ian C.
TI Design and laser damage properties of a dichroic beam combiner coating
for 22.5-deg incidence and S polarization with high transmission at 527
nm and high reflection at 1054 nm
SO OPTICAL ENGINEERING
LA English
DT Article
DE laser damage; dichroic optical coatings; laser beam combining coatings;
coatings on large optics
ID MULTILAYER DIELECTRIC FILMS; FILTER
AB We designed a dichroic beam combiner coating with 11 HfO2/SiO2 layer pairs and deposited it on a large substrate. It provides high transmission (HT) at 527 nm and high reflection (HR) at 1054 nm for a 22.5-deg angle of incidence (AOI), S polarization (Spol), and uses near half-wave layer thicknesses for HT at 527 nm, modified for HR at 1054 nm. The two options for the beam combiner each require that a high intensity beam be incident on the coating from within the substrate (from glass). We analyze the laser-induced damage threshold (LIDT) differences between the two options in terms of the 527- and 1054-nm E-field behaviors for air -> coating and glass -> coating incidences. This indicates that LIDTs should be higher for air -> coating than for glass -> coating incidence -> LIDT tests at the use AOI, Spol with ns pulses at 532 and 1064 nm confirm this, with glass. coating LIDTs about half that of air -> coating LIDTs. These results clearly indicate that the best beam combiner option is for the high intensity 527 and 1054 nm beams to be incident on the coating from air and glass, respectively. (C) The Authors. Published by SPIE
C1 [Bellum, John C.; Field, Ella S.; Kletecka, Damon E.; Rambo, Patrick K.; Smith, Ian C.] Sandia Natl Labs, POB 5800,MS 1197, Albuquerque, NM 87185 USA.
RP Bellum, JC (reprint author), Sandia Natl Labs, POB 5800,MS 1197, Albuquerque, NM 87185 USA.
EM jcbellu@sandia.gov
FU US Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX Sandia National Laboratories is a multimission laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the US Department of Energy's National Nuclear
Security Administration under contract DE-AC04-94AL85000.
NR 22
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PU SPIE-SOC PHOTO-OPTICAL INSTRUMENTATION ENGINEERS
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA
SN 0091-3286
EI 1560-2303
J9 OPT ENG
JI Opt. Eng.
PD JAN
PY 2017
VL 56
IS 1
AR 011020
DI 10.1117/1.OE.56.1.011020
PG 12
WC Optics
SC Optics
GA EO0LN
UT WOS:000396389400023
ER
PT J
AU Demos, SG
Negres, RA
AF Demos, Stavros G.
Negres, Raluca A.
TI Morphology of ejected particles and impact sites on intercepting
substrates following exit-surface laser damage with nanosecond pulses in
silica
SO OPTICAL ENGINEERING
LA English
DT Article
DE fused silica; laser-induced damage; laser superheated material; impact
damage
ID FUSED-SILICA; PHASE EXPLOSION; ABLATION; DYNAMICS; VAPORIZATION;
BREAKDOWN; GROWTH; OPTICS
AB A volume of superheated material reaching localized temperatures of the order of 1 eV and pressures of the order of 10 GPa is generated following laser-induced damage (breakdown) on the surface of transparent dielectric materials using nanosecond pulses. This leads to material ejection and the formation of a crater. To elucidate the material behaviors involved, we examined the morphologies of the ejected particles and found distinctive features that support their classification into different types. The different morphologies arise from the difference in the structure and physical properties (such as the dynamic viscosity and presence of instabilities) of the superheated and surrounding affected material at the time of ejection of each individual particle. In addition, the temperature and kinetic energy of a subset of the ejected particles were found to be sufficient to initiate irreversible modification on the intercepting silica substrates. The modifications observed are associated with mechanical damage and fusion of melted particles on the collector substrate. (C) The Authors. Published by SPIE under a Creative Commons Attribution 3.0 Unported License. Distribution or reproduction of this work in whole or in part requires full attribution of the original publication, including its DOI.
C1 [Demos, Stavros G.; Negres, Raluca A.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA.
[Demos, Stavros G.] Univ Rochester, Laser Energet Lab, 250 East River Rd, Rochester, NY 14623 USA.
RP Demos, SG (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA.; Demos, SG (reprint author), Univ Rochester, Laser Energet Lab, 250 East River Rd, Rochester, NY 14623 USA.
EM sdemos@lle.rochester.edu
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]
FX This work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under Contract No.
DE-AC52-07NA27344.
NR 23
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U1 1
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PU SPIE-SOC PHOTO-OPTICAL INSTRUMENTATION ENGINEERS
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA
SN 0091-3286
EI 1560-2303
J9 OPT ENG
JI Opt. Eng.
PD JAN
PY 2017
VL 56
IS 1
AR 011016
DI 10.1117/1.OE.56.1.011016
PG 8
WC Optics
SC Optics
GA EO0LN
UT WOS:000396389400019
ER
PT J
AU Field, ES
Bellum, JC
Kletecka, DE
AF Field, Ella S.
Bellum, John C.
Kletecka, Damon E.
TI Laser damage comparisons of broad-bandwidth, high-reflection optical
coatings containing TiO2, Nb2O5, or Ta2O5 high-index layers
SO OPTICAL ENGINEERING
LA English
DT Article
DE laser-induced damage threshold; high reflection; broad bandwidth;
optical coatings; E-beam evaporation; TiO2; Nb2O5; Ta2O5
ID ELECTRON-BEAM EVAPORATION; REFRACTIVE-INDEX; TITANIUM
AB Broad bandwidth coatings allow angle of incidence flexibility and accommodate spectral shifts due to aging and water absorption. Higher refractive index materials in optical coatings, such as TiO2, Nb2O5, and Ta2O5, can be used to achieve broader bandwidths compared to coatings that contain HfO2 high index layers. We have identified the deposition settings that lead to the highest index, lowest absorption layers of TiO2, Nb2O5, and Ta2O5, via e-beam evaporation using ion-assisted deposition. We paired these high index materials with SiO2 as the low index material to create broad bandwidth high reflection coatings centered at 1054 nm for 45 deg angle of incidence and P polarization. High reflection bandwidths as large as 231 nm were realized. Laser damage tests of these coatings using the ISO 11254 and NIF-MEL protocols are presented, which revealed that the Ta2O5/SiO2 coating exhibits the highest resistance to laser damage, at the expense of lower bandwidth compared to the TiO2/SiO2 and Nb2O5/SiO2 coatings. (C) The Authors. Published by SPIE
C1 [Field, Ella S.; Bellum, John C.; Kletecka, Damon E.] Sandia Natl Labs, POB 5800,MS 1191, Albuquerque, NM 87185 USA.
RP Field, ES (reprint author), Sandia Natl Labs, POB 5800,MS 1191, Albuquerque, NM 87185 USA.
EM efield@sandia.gov
FU U.S. Department of Energy's National Nuclear Security Administration
[AC04-94AL85000]
FX Sandia National Laboratories is a multiprogram laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration under contract AC04-94AL85000.
NR 21
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PU SPIE-SOC PHOTO-OPTICAL INSTRUMENTATION ENGINEERS
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA
SN 0091-3286
EI 1560-2303
J9 OPT ENG
JI Opt. Eng.
PD JAN
PY 2017
VL 56
IS 1
AR 011018
DI 10.1117/1.OE.56.1.011018
PG 6
WC Optics
SC Optics
GA EO0LN
UT WOS:000396389400021
ER
PT J
AU Field, ES
Bellum, JC
Kletecka, DE
AF Field, Ella S.
Bellum, John C.
Kletecka, Damon E.
TI How reduced vacuum pumping capability in a coating chamber affects the
laser damage resistance of HfO2/SiO2 antireflection and high-reflection
coatings
SO OPTICAL ENGINEERING
LA English
DT Article
DE laser damage; optical coatings; HfO2; SiO2; vacuum; antireflection; high
reflection
ID DEPOSITION
AB Optical coatings with the highest laser damage thresholds rely on clean conditions in the vacuum chamber during the coating deposition process. A low-base pressure in the coating chamber, as well as the ability of the vacuum system to maintain the required pressure during deposition, are important aspects of limiting the amount of defects in an optical coating that could induce laser damage. Our large optics coating chamber at Sandia National Laboratories normally relies on three cryo pumps to maintain low pressures for e-beam coating processes. However, on occasion, one or more of the cryo pumps have been out of commission. In light of this circumstance, we explored how deposition under compromised vacuum conditions resulting from the use of only one or two cryo pumps affects the laser-induced damage thresholds of optical coatings. The coatings of this study consist of HfO2 and SiO2 layer materials and include antireflection coatings for 527 nm at normal incidence and high-reflection coatings for 527 nm at 45-deg angle of incidence in P-polarization. (C) The Authors. Published by SPIE
C1 [Field, Ella S.; Bellum, John C.; Kletecka, Damon E.] Sandia Natl Labs, POB 5800,MS 1191, Albuquerque, NM 87185 USA.
RP Field, ES (reprint author), Sandia Natl Labs, POB 5800,MS 1191, Albuquerque, NM 87185 USA.
EM efield@sandia.gov
FU U. S. Department of Energy's National Nuclear Security Administration
[AC04-94AL85000]
FX Sandia National Laboratories is a multiprogram laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U. S. Department of Energy's National
Nuclear Security Administration under contract AC04-94AL85000.
NR 13
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PU SPIE-SOC PHOTO-OPTICAL INSTRUMENTATION ENGINEERS
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA
SN 0091-3286
EI 1560-2303
J9 OPT ENG
JI Opt. Eng.
PD JAN
PY 2017
VL 56
IS 1
AR 011005
DI 10.1117/1.OE.56.1.011005
PG 5
WC Optics
SC Optics
GA EO0LN
UT WOS:000396389400008
ER
PT J
AU Field, ES
Bellum, JC
Kletecka, DE
AF Field, Ella S.
Bellum, John C.
Kletecka, Damon E.
TI Repair of a mirror coating on a large optic for high laser damage
applications using ion milling and over-coating methods
SO OPTICAL ENGINEERING
LA English
DT Article
DE laser damage; optical coatings; HfO2; SiO2; ion milling; ion etching
ID MANUFACTURE
AB When an optical coating is damaged, deposited incorrectly, or is otherwise unsuitable, the conventional method to restore the optic often entails repolishing the optic surface, which can incur a large cost and long lead time. We propose three alternative options to repolishing, including (i) burying the unsuitable coating under another optical coating, (ii) using ion milling to etch the unsuitable coating completely from the optic surface and then recoating the optic, and (iii) using ion milling to etch through a number of unsuitable layers, leaving the rest of the coating intact, and then recoating the layers that were etched. Repairs were made on test optics with dielectric mirror coatings according to the above three options. The mirror coatings to be repaired were quarter wave stacks of HfO2 and SiO2 layers for high reflection at 1054 nm at 45 deg incidence in P-polarization. One of the coating layers was purposely deposited incorrectly as Hf metal instead of HfO2 to evaluate the ability of each repair method to restore the coating's high laser-induced damage threshold (LIDT) of 64.0 J/cm(2). The repaired coating with the highest resistance to laser-induced damage was achieved using repair method (ii) with an LIDT of 49.0 to 61.0 J/cm(2). (C) The Authors. Published by SPIE
C1 [Field, Ella S.; Bellum, John C.; Kletecka, Damon E.] Sandia Natl Labs, POB 5800,MS 1191, Albuquerque, NM 87185 USA.
RP Field, ES (reprint author), Sandia Natl Labs, POB 5800,MS 1191, Albuquerque, NM 87185 USA.
EM efield@sandia.gov
OI Bellum, John/0000-0003-2230-5553
FU U. S. Department of Energy's National Nuclear Security Administration
[AC04-94AL85000]
FX Sandia National Laboratories is a multiprogram laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U. S. Department of Energy's National
Nuclear Security Administration under contract AC04-94AL85000. The
authors wish to acknowledge Doug Smith of Plymouth Grating Laboratories
in Carver, Massachusetts, for helpful discussions regarding ion milling.
NR 11
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U1 0
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PU SPIE-SOC PHOTO-OPTICAL INSTRUMENTATION ENGINEERS
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA
SN 0091-3286
EI 1560-2303
J9 OPT ENG
JI Opt. Eng.
PD JAN
PY 2017
VL 56
IS 1
AR 011002
DI 10.1117/1.OE.56.1.011002
PG 9
WC Optics
SC Optics
GA EO0LN
UT WOS:000396389400005
ER
PT J
AU Gruzdev, VE
Shinn, MD
AF Gruzdev, Vitaly E.
Shinn, Michelle D.
TI Laser Damage III
SO OPTICAL ENGINEERING
LA English
DT Editorial Material
C1 [Gruzdev, Vitaly E.] Univ Missouri, Dept Mech & Aerosp Engn, Columbia, MO 65211 USA.
[Shinn, Michelle D.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA.
RP Gruzdev, VE (reprint author), Univ Missouri, Dept Mech & Aerosp Engn, Columbia, MO 65211 USA.
EM gruzdevv@missouri.edu; michelle.shinn@science.doe.gov
NR 0
TC 0
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PU SPIE-SOC PHOTO-OPTICAL INSTRUMENTATION ENGINEERS
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA
SN 0091-3286
EI 1560-2303
J9 OPT ENG
JI Opt. Eng.
PD JAN
PY 2017
VL 56
IS 1
AR 011000
DI 10.1117/1.OE.56.1.011000
PG 2
WC Optics
SC Optics
GA EO0LN
UT WOS:000396389400003
ER
PT J
AU Negres, RA
Carr, CW
Laurence, TA
Stanion, K
Guss, G
Cross, DA
Wegner, PJ
Stolz, CJ
AF Negres, Raluca A.
Carr, Christopher W.
Laurence, Ted A.
Stanion, Ken
Guss, Gabe
Cross, David A.
Wegner, Paul J.
Stolz, Christopher J.
TI Laser-induced damage of intrinsic and extrinsic defects by picosecond
pulses on multilayer dielectric coatings for petawatt-class lasers
SO OPTICAL ENGINEERING
LA English
DT Article
DE laser-induced damage; multilayer dielectric coatings; coating defects;
picosecond pulses; petawatt lasers; pulsed laser-matter interactions
ID NODULAR DEFECTS; ACCELERATORS; PERFORMANCE; BEHAVIOR
AB We describe a damage testing system and its use in investigating laser-induced optical damage initiated by both intrinsic and extrinsic precursors on multilayer dielectric coatings suitable for use in high-energy, large-aperture petawatt-class lasers. We employ small-area damage test methodologies to evaluate the intrinsic damage resistance of various coatings as a function of deposition methods and coating materials under simulated use conditions. In addition, we demonstrate that damage initiation by raster scanning at lower fluences and growth threshold testing are required to probe the density of extrinsic defects, which will limit large-aperture optics performance. (C) The Authors. Published by SPIE under a Creative Commons Attribution 3.0 Unported License. Distribution or reproduction of this work in whole or in part requires full attribution of the original publication, including its DOI.
C1 [Negres, Raluca A.; Carr, Christopher W.; Laurence, Ted A.; Stanion, Ken; Guss, Gabe; Cross, David A.; Wegner, Paul J.; Stolz, Christopher J.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
RP Negres, RA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
EM negres2@llnl.gov
FU U.S. Department of Energy (DOE) by Lawrence Livermore National
Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and
Development [14-ERD-014]
FX The authors would like to acknowledge the Laboratory for Laser
Energetics (LLE) of the University of Rochester for manufacturing of the
coating samples used in this study and to thank A. L. Rigatti and J. B.
Oliver for helpful advice and expertise during the coating selection
process. This work was performed under the auspices of the U.S.
Department of Energy (DOE) by Lawrence Livermore National Laboratory
under Contract DE-AC52-07NA27344. They would also like to acknowledge
funding from Laboratory Directed Research and Development under Grant
No. 14-ERD-014.
NR 31
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PU SPIE-SOC PHOTO-OPTICAL INSTRUMENTATION ENGINEERS
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA
SN 0091-3286
EI 1560-2303
J9 OPT ENG
JI Opt. Eng.
PD JAN
PY 2017
VL 56
IS 1
AR 011008
DI 10.1117/1.OE.56.1.011008
PG 9
WC Optics
SC Optics
GA EO0LN
UT WOS:000396389400011
ER
PT J
AU Phillips, GT
Bauer, WA
Fox, CD
Gonzales, AE
Herr, NC
Gosse, RC
Perram, GP
AF Phillips, Grady T.
Bauer, William A.
Fox, Charles D.
Gonzales, Ashley E.
Herr, Nicholas C.
Gosse, Ryan C.
Perram, Glen P.
TI Mass removal by oxidation and sublimation of porous graphite during
fiber laser irradiation
SO OPTICAL ENGINEERING
LA English
DT Article
DE porous graphite; fiber laser damage; mass changes; oxidation;
sublimation
ID FOURIER-TRANSFORM SPECTROSCOPY; ABLATION; EROSION; TEMPERATURES;
RADIATION; PARTICLES; POLYMERS; KINETICS; BEAM; BED
AB The various effects of laser heating of carbon materials are key to assessing laser weapon effectiveness. Porous graphite plates, cylinders, and cones with densities of 1.55 to 1.82 g/cm(3) were irradiated by a 10-kW fiber laser at 0.075 to 3.525 kW/cm(2) for 120 s to study mass removal and crater formation. Surface temperatures reached steady state values as high as 3767 K. The total decrease in sample mass ranged from 0.06 to 6.29 g, with crater volumes of 0.52 to 838 mm(3), and penetration times for 12.7-mm-thick plates as short as 38 s. Minor contaminants in the graphite samples produced calcium and iron oxide to be redeposited on the graphite surface. Dramatic graphite crystalline structures are also produced at higher laser irradiances. Significantly increased porosity of the sample is observed even outside the laser-irradiated region. Total mass removed increases with deposited laser energy at a rate of 4.83 g/MJ for medium extruded graphite with an apparent threshold of 0.15 MJ. At similar to 3.5 kW/cm(2), the fractions of the mass removed from the cylindrical samples in the crater, surrounding trench, and outer region of decreased porosity are 38%, 47%, and 15%, respectively. Graphite is particularly resistant to damage by high power lasers. The new understanding of graphite combustion and sublimation during laser irradiation is vital to the more complex behavior of carbon composites. (C) 2016 Society of Photo-Optical Instrumentation Engineers (SPIE)
C1 [Phillips, Grady T.; Bauer, William A.; Fox, Charles D.; Gonzales, Ashley E.; Herr, Nicholas C.; Perram, Glen P.] US Air Force, Inst Technol, Dept Engn Phys, 2950 Hobson Way, Wright Patterson AFB, OH 45433 USA.
[Phillips, Grady T.; Fox, Charles D.] Oak Ridge Inst Sci & Educ, 1299 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
[Gosse, Ryan C.] US Air Force, Res Lab, Aerosp Syst Directorate, 2210 8th St,B20146, Wright Patterson AFB, OH 45433 USA.
RP Perram, GP (reprint author), US Air Force, Inst Technol, Dept Engn Phys, 2950 Hobson Way, Wright Patterson AFB, OH 45433 USA.
EM glen.perram@afit.edu
FU High Energy Laser Joint Technology Office; Air Force Research
Laboratory; Laser Hardened Material Evaluation Laboratory at the Air
Force Research Laboratory, Materials and Manufacturing Directorate,
Wright-Patterson Air Force Base, Ohio
FX This work was funded in part by a grant from the High Energy Laser Joint
Technology Office and by the Air Force Research Laboratory. The authors
greatly appreciate the access to and support from the Laser Hardened
Material Evaluation Laboratory at the Air Force Research Laboratory,
Materials and Manufacturing Directorate, Wright-Patterson Air Force
Base, Ohio.
NR 37
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PU SPIE-SOC PHOTO-OPTICAL INSTRUMENTATION ENGINEERS
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA
SN 0091-3286
EI 1560-2303
J9 OPT ENG
JI Opt. Eng.
PD JAN
PY 2017
VL 56
IS 1
AR 011013
DI 10.1117/1.OE.56.1.011013
PG 13
WC Optics
SC Optics
GA EO0LN
UT WOS:000396389400016
ER
PT J
AU Qiu, SR
Norton, MA
Honig, J
Rubenchik, AM
Boley, CD
Rigatti, A
Stolz, CJ
Matthews, MJ
AF Qiu, S. Roger
Norton, Mary A.
Honig, John
Rubenchik, Alexander M.
Boley, Charles D.
Rigatti, Amy
Stolz, Christopher J.
Matthews, Manyalibo J.
TI Shape dependence of laser-particle interaction-induced damage on the
protective capping layer of 1 omega high reflector mirror coatings
SO OPTICAL ENGINEERING
LA English
DT Article
DE protective coating layer; contamination; high reflector; multilayer
coatings; laser damage; plasmas; 1 omega; 1053 nm; high peak power laser
ID OPTICAL COATINGS; PERFORMANCE; SYSTEM
AB The response of a potential candidate protective capping layer (SiO2 or Al2O3) to laser exposure of 1 omega (1053 nm) to high-reflector silica-hafnia multilayer coatings in the presence of variously shaped Ti particles is investigated by combining laser damage testing and numerical modeling. Each sample is exposed to a single oblique angle (45 deg) laser shot (p-polarization, similar to 10 J/ cm(2), 14 ns) in the presence of spherically or irregularly shaped Ti particles on the surface. The two capping layers show markedly different responses. For the spherical particles, the Al2O3 cap layer exhibits severe damage, with the capping layer becoming completely delaminated at the particle locations. The SiO2 capping layer is only mildly modified by a shallow depression, likely due to plasma erosion. The different response of the capping layer is attributed to the large difference in the thermal expansion coefficient of the materials, with that of the Al2O3 about 15 times greater than that of the SiO2 layer. For the irregular particles, the Al2O3 capping layer displays minimal to no damage while the SiO2 capping layer is significantly damaged. The difference is due to the disparity in mechanical strength with Al2O3 possessing approximately 10 times higher fracture toughness. c The Authors. Published by SPIE under a Creative Commons Attribution 3.0 Unported License. Distribution or reproduction of this work in whole or in part requires full attribution of the original publication, including its DOI.
C1 [Qiu, S. Roger; Norton, Mary A.; Honig, John; Rubenchik, Alexander M.; Boley, Charles D.; Stolz, Christopher J.; Matthews, Manyalibo J.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA.
[Rigatti, Amy] Univ Rochester, Laser Energet Lab, 250 East River Rd, Rochester, NY 14623 USA.
RP Qiu, SR (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA.
EM qiu2@llnl.gov
FU US Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; Laboratory Directed Research and Development
[14-ERD-098]
FX This work was performed under the auspices of the US Department of
Energy by Lawrence Livermore National Laboratory under Contract
DE-AC52-07NA27344 and funded through Laboratory Directed Research and
Development Grant 14-ERD-098. We would like to thank Gabe Guss, John
Adams, and Raluca Negres for making fiducials, William G. Hollingsworth
for performing the laser damage testing and optical microscope imaging,
and Chantel Aracne-Ruddle for Ti filings separation.
NR 27
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U1 2
U2 2
PU SPIE-SOC PHOTO-OPTICAL INSTRUMENTATION ENGINEERS
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA
SN 0091-3286
EI 1560-2303
J9 OPT ENG
JI Opt. Eng.
PD JAN
PY 2017
VL 56
IS 1
AR 011108
DI 10.1117/1.OE.56.1.011108
PG 7
WC Optics
SC Optics
GA EO0LN
UT WOS:000396389400038
ER
PT J
AU Smith, BE
Zhou, XZ
Davis, EJ
Pauzauskie, PJ
AF Smith, Bennett E.
Zhou, Xuezhe
Davis, E. James
Pauzauskie, Peter J.
TI Photothermal heating of nanoribbons
SO OPTICAL ENGINEERING
LA English
DT Article
DE near infrared; optical trap; cadmium sulfide; photothermal heating;
rectangular nanostructure
ID OPTICAL REFRIGERATION; LASER REFRIGERATION; NANOWIRES; NANOPARTICLES;
SOLIDS; KELVIN; CDS
AB Nanoscale optical materials are of great interest for building future optoelectronic devices for information processing and sensing applications. Although heat transfer ultimately limits the maximum power at which nanoscale devices may operate, gaining a quantitative experimental measurement of photothermal heating within single nanostructures remains a challenge. Here, we measure the nonlinear optical absorption coefficient of optically trapped cadmium-sulfide nanoribbons at the level of single nanostructures through observations of their Brownian dynamics during single-beam laser trapping experiments. A general solution to the heat transfer partial differential equation is derived for nanostructures having rectilinear morphology including nano-cubes and nanoribbons. Numerical electromagnetic calculations using the discrete-dipole approximation enable the simulation of the photothermal heating source function and the extraction of nonlinear optical absorption coefficients from experimental observations of single nanoribbon dynamics. (C) 2016 Society of Photo-Optical Instrumentation Engineers (SPIE)
C1 [Smith, Bennett E.] Univ Washington, Dept Chem, Seattle, WA 98195 USA.
[Zhou, Xuezhe; Pauzauskie, Peter J.] Univ Washington, Dept Mat Sci & Engn, 302 Roberts Hall,Box 352120, Seattle, WA 98195 USA.
[Davis, E. James] Univ Washington, Dept Chem Engn, Seattle, WA 98195 USA.
[Pauzauskie, Peter J.] Pacific Northwest Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99352 USA.
RP Pauzauskie, PJ (reprint author), Univ Washington, Dept Mat Sci & Engn, 302 Roberts Hall,Box 352120, Seattle, WA 98195 USA.; Pauzauskie, PJ (reprint author), Pacific Northwest Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99352 USA.
EM peterpz@uw.edu
FU Air Force Office of Scientific Research [FA95501210400,
FA9550-16-1-0362]; NIH T32 training fellowship; National Science
Foundation Division of Materials Research [1555007]; University of
Washington
FX This material is based upon work supported by the Air Force Office of
Scientific Research under award numbers FA95501210400 and
FA9550-16-1-0362. The authors also acknowledge support from an NIH T32
training fellowship, the National Science Foundation Division of
Materials Research (No. 1555007), and start-up funding from the
University of Washington.
NR 36
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U1 2
U2 2
PU SPIE-SOC PHOTO-OPTICAL INSTRUMENTATION ENGINEERS
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA
SN 0091-3286
EI 1560-2303
J9 OPT ENG
JI Opt. Eng.
PD JAN
PY 2017
VL 56
IS 1
AR 011111
DI 10.1117/1.OE.56.1.011111
PG 7
WC Optics
SC Optics
GA EO0LN
UT WOS:000396389400041
ER
PT J
AU Ruminski, AM
Yang, F
Cho, ES
Silber, J
Olivera, E
Johnson, T
Anderssen, EC
Haber, CH
Urban, JJ
AF Ruminski, Anne M.
Yang, Fan
Cho, Eun Seon
Silber, Joseph
Olivera, Edgar
Johnson, Thomas
Anderssen, Eric C.
Haber, Carl H.
Urban, Jeffrey J.
TI Geometric analysis of enhanced thermal conductivity in epoxy composites:
A comparison of graphite and carbon nanofiber fillers
SO PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE
LA English
DT Article
DE carbon materials; heat transfer; thermal conductivity; thermal interface
materials
ID DIELECTRIC-PROPERTIES; NANOCOMPOSITES
AB We analyze the geometric effects of two different carbon fillers on the enhancement of the thermal conductivity of carbon-epoxy composites. This study compares the thermal properties of composites containing graphite powder (2-dimensional) and carbon nanofibers (1-dimensional) incorporated in an industrial epoxy. Calculations using the generalized effective medium model were also used to examine the effect of the geometry and aspect ratio of the carbon filler. Experiments show that at a filler volume fraction loading of 0.10, the effective thermal conductivity of the composites was improved up to eightfold for carbon nanofiber and threefold for graphite in comparison to the neat epoxy. The superior performance of the carbon nanofiber composite is due to the larger aspect ratio of nanofiber which allows greater overlap between neighboring particles. However, this greater overlap also results in the composite becoming prohibitively viscous at low filler volume fractions. In graphite composite at the maximum filler volume fraction of 0.3, the resulting thermal conductivity improvement was 14-fold over the neat epoxy. Calculations indicated that the improved thermal conductivity was primarily due to the filler particle geometry. Additionally, calculations suggest the wider distribution of graphite particle aspect ratio could have a positive influence on enhancing composite thermal conductivity.
C1 [Ruminski, Anne M.; Yang, Fan; Cho, Eun Seon; Olivera, Edgar; Urban, Jeffrey J.] Lawrence Berkeley Natl Lab, Mol Foundry, Div Mat Sci, Berkeley, CA 94720 USA.
[Silber, Joseph; Johnson, Thomas; Anderssen, Eric C.] Lawrence Berkeley Natl Lab, Div Engn, Berkeley, CA 94720 USA.
[Haber, Carl H.] Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA.
RP Urban, JJ (reprint author), Lawrence Berkeley Natl Lab, Mol Foundry, Div Mat Sci, Berkeley, CA 94720 USA.
EM jjurban@lbl.gov
FU Laboratory-Directed Research and Development (LDRD) at Lawrence Berkeley
National Lab; Office of Science, Office of Basic Energy Sciences, at the
U.S. Department of Energy (DOE) [DE-AC02-05CH11231]
FX This work was supported in part by the Laboratory-Directed Research and
Development (LDRD) at Lawrence Berkeley National Lab. Work at the
Molecular Foundry was supported by the Office of Science, Office of
Basic Energy Sciences, at the U.S. Department of Energy (DOE), contract
no. DE-AC02-05CH11231.
NR 18
TC 0
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U1 1
U2 1
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1862-6300
EI 1862-6319
J9 PHYS STATUS SOLIDI A
JI Phys. Status Solidi A-Appl. Mat.
PD JAN
PY 2017
VL 214
IS 1
AR 1600368
DI 10.1002/pssa.201600368
PG 5
WC Materials Science, Multidisciplinary; Physics, Applied; Physics,
Condensed Matter
SC Materials Science; Physics
GA EL2AV
UT WOS:000394423400009
ER
PT J
AU Cen, JJ
Wu, QY
Yan, DH
Tao, J
Kisslinger, K
Liu, MZ
Orlov, A
AF Cen, Jiajie
Wu, Qiyuan
Yan, Danhua
Tao, Jing
Kisslinger, Kim
Liu, Mingzhao
Orlov, Alexander
TI Photoelectrochemical water splitting with a SrTiO3:Nb/SrTiO3 n(+)-n
homojunction structure
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID DOPED SRTIO3 ELECTRODES; VISIBLE-LIGHT IRRADIATION; THIN-FILMS; HYDROGEN
EVOLUTION; STRONTIUM-TITANATE; OPTICAL-PROPERTIES; PHOTOCATALYST;
CONVERSION; PHOTOANODE; TRANSPORT
AB A very limited knowledge exists about the effect of non-uniform doping of epitaxially grown strontium titanate thin film electrodes on their photoelectrochemical performance in water splitting. In this work, water splitting photoanodes featuring an n(+)-n homojunction were fabricated by the pulsed laser deposition technique, where epitaxial SrTiO3 thin films were grown on Nb doped n(+)-SrTiO3 single crystalline substrates. Thermal diffusion of niobium from doped substrates into the deposited thin films formed an n(+)-n homojunction, which was profiled by angle-resolved XPS and cross-sectional STEM-EDX techniques. This homojunction was found to make a significant impact on the incident photon-to-current efficiency of photoanodes by affecting their depletion width, which was in agreement with the theoretical simulations.
C1 [Cen, Jiajie; Wu, Qiyuan; Yan, Danhua; Orlov, Alexander] SUNY Stony Brook, Dept Mat & Sci Engn, Stony Brook, NY 11794 USA.
[Yan, Danhua; Kisslinger, Kim; Liu, Mingzhao] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Tao, Jing] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
RP Orlov, A (reprint author), SUNY Stony Brook, Dept Mat & Sci Engn, Stony Brook, NY 11794 USA.; Liu, MZ (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
EM mzliu@bnl.gov; alexander.orlov@stonybrook.edu
FU National Science Foundation [1254600]; Center for Functional
Nanomaterials, a U.S. DOE Office of Science Facility at the Brookhaven
National Laboratory [DE-SC0012704]
FX We acknowledge funding support from the National Science Foundation
(#1254600). This research used resources of the Center for Functional
Nanomaterials, which is a U.S. DOE Office of Science Facility, at the
Brookhaven National Laboratory under Contract No. DE-SC0012704.
NR 70
TC 0
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U1 5
U2 5
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 2017
VL 19
IS 4
BP 2760
EP 2767
DI 10.1039/c6cp07111b
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EL9KZ
UT WOS:000394940400013
PM 28067360
ER
PT J
AU Dhabal, D
Wikfeldt, KT
Skinner, LB
Chakravarty, C
Kashyap, HK
AF Dhabal, Debdas
Wikfeldt, Kjartan Thor
Skinner, Lawrie B.
Chakravarty, Charusita
Kashyap, Hemant K.
TI Probing the triplet correlation function in liquid water by experiments
and molecular simulations
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID PAIR CORRELATION-FUNCTIONS; NEUTRON-DIFFRACTION DATA; MONTE-CARLO
METHOD; SUPERCOOLED WATER; X-RAY; SCATTERING EXPERIMENTS; CORRELATION
ENTROPIES; CONDENSED PHASES; COLLOIDAL MODEL; AMBIENT WATER
AB Despite very significant developments in scattering experiments like X-ray and neutron diffraction, it has been challenging to elucidate the nature of tetrahedral molecular configurations in liquid water. A key question is whether the pair correlation functions, which can be obtained from scattering experiments, are sufficient to describe the tetrahedral ordering of water molecules. In our previous study (Dhabal et al., J. Chem. Phys., 2014, 141, 174504), using data-sets generated from reverse Monte Carlo and molecular dynamics simulations, we showed that the triplet correlation functions contain important information on the tetrahedrality of water in the liquid state. In the present study, X-ray scattering experiments and molecular dynamics (MD) simulations are used to link the isothermal pressure derivative of the structure factor with the triplet correlation functions for water. Triplet functions are determined for water up to 3.3 kbar at 298 K to display the effect of pressure on the water structure. The results suggest that triplet functions ((H) over tilde (q)) obtained using a rigid-body TIP4P/2005 water model are consistent with the experimental results. The triplet functions obtained in experiment as well as in simulations evince that in the case of tetrahedral liquids, exertion of higher pressure leads to a better agreement with the Kirkwood superposition approximation (KSA). We further validate this observation using the triplet correlation functions (g((3))(r, s, t)) calculated directly from simulation trajectory, revealing that both (H) over tilde (q) in q-space and g((3))(r, s, t) in real-space contain similar information on the tetrahedrality of liquids. This study demonstrates that the structure factor, even though it has only pair correlation information of the liquid structure, can shed light on three-body correlations in liquid water through its isothermal pressure derivative term.
C1 [Dhabal, Debdas; Chakravarty, Charusita; Kashyap, Hemant K.] Indian Inst Technol Delhi, Dept Chem, Hauz Khas, New Delhi 110016, India.
[Wikfeldt, Kjartan Thor] Univ Iceland, Inst Sci, IS-107 Reykjavik, Iceland.
[Skinner, Lawrie B.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Dhabal, D; Kashyap, HK (reprint author), Indian Inst Technol Delhi, Dept Chem, Hauz Khas, New Delhi 110016, India.
EM d.dhabal@chemistry.iitd.ac.in; hkashyap@chemistry.iitd.ac.in
FU University Grant Commission, New Delhi; Icelandic Research Fund
[141080-052]; Department of Science and Technology (DST) India
FX DD would like to thank the University Grant Commission, New Delhi for
his senior research fellowship. KTW is supported by the Icelandic
Research Fund through Grant No. 141080-052. Department of Science and
Technology (DST) India is gratefully acknowledged for financial support.
High Performance Computing facility of the Indian Institute of
Technology Delhi is acknowledged for providing computational resources.
NR 92
TC 1
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U1 4
U2 4
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 2017
VL 19
IS 4
BP 3265
EP 3278
DI 10.1039/c6cp07599a
PG 14
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EL9KZ
UT WOS:000394940400067
PM 28084487
ER
PT J
AU Mao, YZ
Horn, PR
Head-Gordon, M
AF Mao, Yuezhi
Horn, Paul R.
Head-Gordon, Martin
TI Energy decomposition analysis in an adiabatic picture
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID LOCALIZED MOLECULAR-ORBITALS; ELECTRONIC-STRUCTURE CALCULATIONS;
NONCLASSICAL METAL-CARBONYLS; TRANSITION-STATE METHOD; GAUSSIAN-BASIS
SETS; INTERMOLECULAR INTERACTIONS; CHARGE-TRANSFER; HYDROGEN-BOND; WATER
DIMER; DENSITY
AB Energy decomposition analysis (EDA) of electronic structure calculations has facilitated quantitative understanding of diverse intermolecular interactions. Nevertheless, such analyses are usually performed at a single geometry and thus decompose a "single-point'' interaction energy. As a result, the influence of the physically meaningful EDA components on the molecular structure and other properties are not directly obtained. To address this gap, the absolutely localized molecular orbital (ALMO)-EDA is reformulated in an adiabatic picture, where the frozen, polarization, and charge transfer energy contributions are defined as energy differences between the stationary points on different potential energy surfaces (PESs), which are accessed by geometry optimizations at the frozen, polarized and fully relaxed levels of density functional theory (DFT). Other molecular properties such as vibrational frequencies can thus be obtained at the stationary points on each PES. We apply the adiabatic ALMO-EDA to different configurations of the water dimer, the water-Cl- and water-Mg2+/Ca2+ complexes, metallocenes (Fe2+, Ni2+, Cu2+, Zn2+), and the ammonia-borane complex. This method appears to be very useful for unraveling how physical effects such as polarization and charge transfer modulate changes in molecular properties induced by intermolecular interactions. As an example of the insight obtained, we find that a linear hydrogen bond geometry for the water dimer is preferred even without the presence of polarization and charge transfer, while the red shift in the OH stretch frequency is primarily a charge transfer effect; by contrast, a near-linear geometry for the water-chloride hydrogen bond is achieved only when charge transfer is allowed.
C1 [Mao, Yuezhi; Horn, Paul R.; Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA.
[Head-Gordon, Martin] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA.; Head-Gordon, M (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
EM mhg@cchem.berkeley.edu
FU U.S. National Science Foundation [CHE-1363342]
FX This work was supported by grant CHE-1363342 from the U.S. National
Science Foundation. The authors thank Narbe Mardirossian for helpful
comments.
NR 73
TC 1
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U1 2
U2 2
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 2017
VL 19
IS 8
BP 5944
EP 5958
DI 10.1039/c6cp08039a
PG 15
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EN2VX
UT WOS:000395869500028
PM 28176997
ER
PT J
AU Xi, JQ
Xu, HX
Zhang, YW
Weber, WJ
AF Xi, Jianqi
Xu, Haixuan
Zhang, Yanwen
Weber, William J.
TI Strain effects on oxygen vacancy energetics in kTaO(3)
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID 1ST PRINCIPLES; AB-INITIO; THIN-FILMS; SRTIO3; PEROVSKITE; BAZRO3;
FERROELECTRICITY; SEGREGATION; DIFFUSION; SURFACE
AB Due to lattice mismatch between epitaxial films and substrates, in-plane strain fields are produced in the thin films, with accompanying structural distortions, and ion implantation can be used to controllably engineer the strain throughout the film. Because of the strain profile, local defect energetics are changed. In this study, the effects of in-plane strain fields on the formation and migration of oxygen vacancies in KTaO3 are investigated using first-principles calculations. In particular, the doubly positive charged oxygen vacancy (V-0(2+)) is studied, which is considered to be the main charge state of the oxygen vacancy in KTaO3. We find that the formation energies for oxygen vacancies are sensitive to in-plane strain and oxygen position. The local atomic configuration is identified, and strong relaxation of local defect structure is mainly responsible for the formation characteristics of these oxygen vacancies. Based on the computational results, formation-dependent site preferences for oxygen vacancies are expected to occur under epitaxial strain, which can result in orders of magnitude differences in equilibrium vacancy concentrations on different oxygen sites. In addition, all possible migration pathways, including intra-and inter-plane diffusions, are considered. In contrast to the strain-enhanced intra-plane diffusion, the diffusion in the direction normal to the strained plane is impeded under the epitaxial strain field. These anisotropic diffusion processes can further enhance site preferences.
C1 [Xi, Jianqi; Xu, Haixuan; Zhang, Yanwen; Weber, William J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Zhang, Yanwen; Weber, William J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
RP Weber, WJ (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.; Weber, WJ (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
EM wjweber@utk.edu
RI Xi, Jianqi/P-3904-2016;
OI Xi, Jianqi/0000-0002-0501-9718; Weber, William/0000-0002-9017-7365
FU U. S. Department of Energy, Office of Science, Basic Energy Sciences,
Materials Sciences and Engineering Division; University of Tennessee
Governor's Chair program; Office of Science, US Department of Energy
[DEAC02- 05CH11231]
FX We thank Guoqiang Lan for very useful discussions on the phonon
calculations. This work was supported by the U. S. Department of Energy,
Office of Science, Basic Energy Sciences, Materials Sciences and
Engineering Division. One of the authors (JX) was supported by the
University of Tennessee Governor's Chair program. The theoretical
calculations were performed using the supercomputer resources at the
National Energy Research Scientific Computing Center, supported by the
Office of Science, US Department of Energy under Contract No. DEAC02-
05CH11231.
NR 56
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U1 7
U2 7
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 2017
VL 19
IS 8
BP 6264
EP 6273
DI 10.1039/c6cp08315c
PG 10
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EN2VX
UT WOS:000395869500061
PM 28195279
ER
PT J
AU Christensen, ML
Villa, U
Engsig-Karup, AP
Vassilevski, PS
AF Christensen, Max La Cour
Villa, Umberto
Engsig-Karup, Allan P.
Vassilevski, Panayot S.
TI NUMERICAL MULTILEVEL UPSCALING FOR INCOMPRESSIBLE FLOW IN RESERVOIR
SIMULATION: AN ELEMENT-BASED ALGEBRAIC MULTIGRID (AMGe) APPROACH
SO SIAM JOURNAL ON SCIENTIFIC COMPUTING
LA English
DT Article
DE element-based algebraic multigrid; numerical upscaling; multilevel
upscaling; reservoir simulation; mixed finite element method;
discontinuous Galerkin finite element method; porous media flow;
subsurface flow
ID MIMETIC M-3 METHOD; MULTISCALE FINITE-ELEMENTS; POROUS-MEDIA; ELLIPTIC
PROBLEMS; 2-PHASE FLOW; BRINKMAN PROBLEM; AGGLOMERATION; COEFFICIENTS;
SPACES; GRIDS
AB We study the application of a finite element numerical upscaling technique to the incompressible two-phase porous media total velocity formulation. Specifically, an element agglomeration -based algebraic multigrid (AMGe) technique with improved approximation properties [I. Lashuk and P. Vassilevski, Numer. Linear Algebra Appl., 19 (2012), pp. 414-426] is used, for the first time, to generate upscaled and accurate coarse systems for the reservoir simulation equations. The upscaling technique is applied to both the mixed system for velocity and pressure and to the hyperbolic transport equations, providing fully upscaled systems. By introducing additional degrees of freedom associated with nonplanar interfaces between agglomerates, the coarse velocity space has guaranteed approximation properties. The employed AMGe technique provides coarse spaces with desirable local mass conservation and stability properties analogous to the original pair of Raviart Thomas and piecewise discontinuous polynomial spaces, resulting in strong mass conservation for the upscaled systems. Due to the guaranteed approximation properties and the generic nature of the AMGe method, recursive multilevel upscaling is automatically obtained. Furthermore, this technique works for both structured and unstructured meshes. Multiscale mixed finite elements exhibit accuracy for general unstructured meshes but do not in general lead to nested hierarchy of spaces. Multiscale multilevel mimetic finite differences generate nested spaces but lack the adaptivity of the flux representation on coarser levels that the proposed AMGe approach offers. Thus, the proposed approach can be seen as a rigorous bridge that merges the best properties of these two existing methods. The accuracy and stability of the studied multilevel AMGe upscaling technique is demonstrated on two challenging test cases.
C1 [Christensen, Max La Cour; Engsig-Karup, Allan P.] Tech Univ Denmark, Dept Appl Math & Comp Sci, Lyngby 2800, Denmark.
[Christensen, Max La Cour] Tech Univ Denmark, CERE, Lloyds Register Consulting, Hellerup 2900, Denmark.
[Villa, Umberto; Vassilevski, Panayot S.] Ctr Appl Sci Comp, Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
[Villa, Umberto] Univ Texas Austin, Inst Computat Engn & Sci, Austin, TX 78712 USA.
RP Christensen, ML (reprint author), Tech Univ Denmark, Dept Appl Math & Comp Sci, Lyngby 2800, Denmark.; Christensen, ML (reprint author), Tech Univ Denmark, CERE, Lloyds Register Consulting, Hellerup 2900, Denmark.
EM max@maxlacour.com; uvilla@ices.utexas.edu; apek@dtu.dk;
vassilevski1@llnl.gov
FU U.S. Department of Energy by Lawrence Livermore National Laboratory -
U.S. Department of Energy, Office of Science, Office of Advanced
Scientific Computing Research, Applied Mathematics program
[DE-AC52-07NA27344]
FX This work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under contract
DE-AC52-07NA27344 supported in part by the U.S. Department of Energy,
Office of Science, Office of Advanced Scientific Computing Research,
Applied Mathematics program. Accordingly, the U.S. Government retains a
nonexclusive, royalty-free license to publish or reproduce the published
form of this contribution, or allow others to do so, for U.S. Government
purposes.
NR 59
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U1 0
U2 0
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 2017
VL 39
IS 1
BP B102
EP B137
DI 10.1137/140988991
PG 36
WC Mathematics, Applied
SC Mathematics
GA EN1CK
UT WOS:000395747800020
ER
PT J
AU Mycek, P
Rizzi, F
Le Maitre, O
Sargsyan, K
Morris, K
Safta, C
Debusschere, B
Knio, O
AF Mycek, Paul
Rizzi, Francesco
Le Maitre, Olivier
Sargsyan, Khachik
Morris, Karla
Safta, Cosmin
Debusschere, Bert
Knio, Omar
TI DISCRETE A PRIORI BOUNDS FOR THE DETECTION OF CORRUPTED PDE SOLUTIONS IN
EXASCALE COMPUTATIONS
SO SIAM JOURNAL ON SCIENTIFIC COMPUTING
LA English
DT Article
DE elliptic PDE; maximum principle; discrete bounds; resilience; exascale
computing; domain decomposition
ID PERFORMANCE COMPUTING SYSTEMS; ELLIPTIC PROBLEMS; MINIMIZATION;
RECOVERY; MATRICES; INVERSE; DESIGN
AB A priori bounds are derived for the discrete solution of second-order elliptic partial differential equations (PDEs). The bounds have two contributions. First, the influence of boundary conditions is taken into account through a discrete maximum principle. Second, the contribution of the source field is evaluated in a fashion similar to that used in the treatment of the continuous a priori operators. Closed form expressions are, in particular, obtained for the case of a conservative, second-order finite difference approximation of the diffusion equation with variable scalar diffusivity. The bounds are then incorporated into a resilient domain decomposition framework, in order to verify the admissibility of local PDE solutions. The computations demonstrate that the bounds are able to detect most system faults, and thus considerably enhance the resilience and the overall performance of the solver.
C1 [Mycek, Paul; Knio, Omar] Duke Univ, 144 Hudson Hall,Box 90300, Durham, NC 27708 USA.
[Rizzi, Francesco; Sargsyan, Khachik; Morris, Karla; Safta, Cosmin; Debusschere, Bert] Sandia Natl Labs, Livermore, CA 94550 USA.
[Le Maitre, Olivier] CNRS, LIMSI, F-91403 Orsay, France.
RP Mycek, P (reprint author), Duke Univ, 144 Hudson Hall,Box 90300, Durham, NC 27708 USA.
EM paul.mycek@duke.edu; fnrizzi@sandia.gov; olm@limsi.fr;
ksargsy@sandia.gov; knmorri@sandia.gov; csafta@sandia.gov;
bjdebus@sandia.gov; omar.knio@duke.edu
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX Sandia National Laboratories is a multiprogram laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration under contract DE-AC04-94AL85000. The authors
are also grateful to Dr. Habib Najm and Prof. Diogo Gomes for helpful
discussions.
NR 44
TC 0
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U1 0
U2 0
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 2017
VL 39
IS 1
BP C1
EP C28
DI 10.1137/15M1051786
PG 28
WC Mathematics, Applied
SC Mathematics
GA EN1CK
UT WOS:000395747800024
ER
PT J
AU Scott, R
Mudimbi, P
Miller, ME
Magnuson, M
Willison, S
Phillips, R
Harper, WF
AF Scott, Robert
Mudimbi, Patrick
Miller, Michael E.
Magnuson, Matthew
Willison, Stuart
Phillips, Rebecca
Harper, Willie F., Jr.
TI Advanced Oxidation of Tartrazine and Brilliant Blue with Pulsed
Ultraviolet Light Emitting Diodes
SO WATER ENVIRONMENT RESEARCH
LA English
DT Article
DE Ultra Violet light-emitting diodes (UV LED); advanced oxidation;
tartrazine; brilliant blue; pulsing; rate constants
ID WASTE-WATER; INACTIVATION; BEHAVIOR; COLORANT
AB This study investigated the effect of ultraviolet light-emitting diodes (UVLEDs) coupled with hydrogen peroxide as an advanced oxidation process (AOP) for the degradation of two test chemicals. Brilliant Blue FCF consistently exhibited greater degradation than tartrazine, with 83% degradation after 300 minutes at the 100% duty cycle compared with only 17% degradation of tartrazine under the same conditions. These differences are attributable to the structural properties of the compounds. Duty cycle was positively correlated with the firstorder rate constants (k) for both chemicals but, interestingly, negatively correlated with the normalized first-order rate constants (k/duty cycle). Synergistic effects of both hydraulic mixing and LED duty cycle were manifested as novel oscillations in the effluent contaminant concentration. Further, LED output and efficiency were dependent upon duty cycle and less efficient over time perhaps due to heating effects on semiconductor performance.
C1 [Scott, Robert; Mudimbi, Patrick; Miller, Michael E.; Harper, Willie F., Jr.] Air Force Inst Technol, Dept Syst Engn & Management, 2950 Hobson Way, Wright Patterson AFB, OH 45433 USA.
[Magnuson, Matthew; Willison, Stuart] US EPA, Natl Homeland Secur Res Ctr, Water Infrastruct Protect Div, 26 W Martin Luther King Dr,Mailstop NG-16, Cincinnati, OH 45268 USA.
[Phillips, Rebecca] US Environm Protect Agcy Headquarters, Oak Ridge Inst Sci & Educ, ML-8801 RR,Room 51185,Ronald Reagan Bldg, Washington, DC 20004 USA.
RP Harper, WF (reprint author), Air Force Inst Technol, Dept Syst Engn & Management, 2950 Hobson Way, Wright Patterson AFB, OH 45433 USA.
EM willie.harper@afit.edu
OI Phillips, Rebecca/0000-0002-7270-7078
FU U.S. Environmental Protection Agency through its Office of Research and
Development [92370201]
FX The views expressed in this article are those of the authors and do not
reflect the official policy or position of the Air Force Institute of
Technology, United States Air Force, Department of Defense, or United
States government. The U.S. Environmental Protection Agency through its
Office of Research and Development partially funded and collaborated in
the research described here under Interagency Agreement 92370201. It has
been subjected to the Agency's review and has been approved for
publication. Note that approval does not signify that the contents
necessarily reflect the views of the Agency. Mention of trade names,
products, or services does not convey official EPA approval,
endorsement, or recommendation.
NR 38
TC 0
Z9 0
U1 3
U2 3
PU WATER ENVIRONMENT FEDERATION
PI ALEXANDRIA
PA 601 WYTHE ST, ALEXANDRIA, VA 22314-1994 USA
SN 1061-4303
EI 1554-7531
J9 WATER ENVIRON RES
JI Water Environ. Res.
PD JAN
PY 2017
VL 89
IS 1
BP 24
EP 31
DI 10.2175/106143016X14733681696167
PG 8
WC Engineering, Environmental; Environmental Sciences; Limnology; Water
Resources
SC Engineering; Environmental Sciences & Ecology; Marine & Freshwater
Biology; Water Resources
GA EO0CM
UT WOS:000396365900003
PM 28236826
ER
PT J
AU Nagy, LG
Riley, R
Bergmann, PJ
Krizsan, K
Martin, FM
Grigoriev, IV
Cullen, D
Hibbett, DS
AF Nagy, Laszlo G.
Riley, Robert
Bergmann, Philip J.
Krizsan, Krisztina
Martin, Francis M.
Grigoriev, Igor V.
Cullen, Dan
Hibbett, David S.
TI Genetic Bases of Fungal White Rot Wood Decay Predicted by Phylogenomic
Analysis of Correlated Gene-Phenotype Evolution
SO MOLECULAR BIOLOGY AND EVOLUTION
LA English
DT Article
DE comparative genomics; bioinformatics; protein of unknown function;
wood-decay; fungal enzymes
ID PHANEROCHAETE-CHRYSOSPORIUM; GENOME; EXPRESSION; MODELS; DUPLICATION;
PROFILES; LIGNIN; TREES; DEGRADATION; MECHANISMS
AB Fungal decomposition of plant cell walls (PCW) is a complex process that has diverse industrial applications and huge impacts on the carbon cycle. White rot (WR) is a powerful mode of PCW decay in which lignin and carbohydrates are both degraded. Mechanistic studies of decay coupled with comparative genomic analyses have provided clues to the enzymatic components of WR systems and their evolutionary origins, but the complete suite of genes necessary for WR remains undetermined. Here, we use phylogenomic comparative methods, which we validate through simulations, to identify shifts in gene family diversification rates that are correlated with evolution of WR, using data from 62 fungal genomes. We detected 409 gene families that appear to be evolutionarily correlated with WR. The identified gene families encode well-characterized decay enzymes, e.g., fungal class II peroxidases and cellobiohydrolases, and enzymes involved in import and detoxification pathways, as well as 73 gene families that have no functional annotation. About 310 of the 409 identified gene families are present in the genome of the model WR fungus Phanerochaete chrysosporium and 192 of these (62%) have been shown to be upregulated under ligninolytic culture conditions, which corroborates the phylogeny-based functional inferences. These results illuminate the complexity of WR and suggest that its evolution has involved a general elaboration of the decay apparatus, including numerous gene families with as-yet unknown exact functions.
C1 [Nagy, Laszlo G.; Krizsan, Krisztina] BRC HAS, Inst Biochem, Synthet & Syst Biol Unit, Szeged, Hungary.
[Riley, Robert; Grigoriev, Igor V.] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Bergmann, Philip J.; Hibbett, David S.] Clark Univ, Dept Biol, Worcester, MA 01610 USA.
[Martin, Francis M.] Univ Henri Poincare, INRA, Unite Mixte Rech 1136, Interact Arbres Microorganismes, F-02854 Champenoux, France.
[Cullen, Dan] USDA, Forest Prod Lab, Madison, WI 53705 USA.
RP Nagy, LG (reprint author), BRC HAS, Inst Biochem, Synthet & Syst Biol Unit, Szeged, Hungary.
EM lnagy@brc.hu
FU Lendulet Programme of the Hungarian Academy of Sciences [LP2014/12]; NSF
[DEB-0933081, IOS-1456958]; Laboratory of Excellence ARBRE
[ANR-11-LABX-0002-01]
FX We thank Dimitrios Floudas for helpful discussions on wood-decay related
gene families and Sandor Kocsube for his help with designing the
figures. This work was supported by the Lendulet Programme of the
Hungarian Academy of Sciences (grant no. LP2014/12, to LGN), NSF awards
DEB-0933081 and IOS-1456958 (to DSH) and by the Laboratory of Excellence
ARBRE (ANR-11-LABX-0002-01) (to FMM).
NR 57
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U1 2
U2 2
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0737-4038
EI 1537-1719
J9 MOL BIOL EVOL
JI Mol. Biol. Evol.
PD JAN
PY 2017
VL 34
IS 1
BP 35
EP 44
DI 10.1093/molbev/msw238
PG 10
WC Biochemistry & Molecular Biology; Evolutionary Biology; Genetics &
Heredity
SC Biochemistry & Molecular Biology; Evolutionary Biology; Genetics &
Heredity
GA EO5ZR
UT WOS:000396772000002
PM 27834665
ER
PT J
AU Fiege, A
Ruprecht, P
Simon, AC
Bell, AS
Gottlicher, J
Newville, M
Lanzirotti, T
Moore, G
AF Fiege, Adrian
Ruprecht, Philipp
Simon, Adam C.
Bell, Aaron S.
Goettlicher, Joerg
Newville, Matt
Lanzirotti, Tony
Moore, Gordon
TI Calibration of Fe XANES for high-precision determination of Fe oxidation
state in glasses: Comparison of new and existing results obtained at
different synchrotron radiation sources
SO AMERICAN MINERALOGIST
LA English
DT Article
DE Fe micro-XANES; synchrotron radiation sources/beamlines; Fe oxidation
state; Fe coordination; silicate glasses; rhyolite; dacite; basalt
ID ABSORPTION FINE-STRUCTURE; EDGE STRUCTURE SPECTROSCOPY; BEARING SILICATE
MELTS; HIGH-RESOLUTION XANES; IRON OXIDATION; OXYGEN FUGACITY; FERRIC
IRON; STRUCTURAL ENVIRONMENT; ELECTRON-MICROPROBE; LOCAL ENVIRONMENT
AB Micro-X-ray absorption near-edge structure (mu-XANES) spectroscopy has been used by several recent studies to determine the oxidation state and coordination of iron in silicate glasses. Here, we present new results from Fe mu-XANES analyses on a set of 19 Fe-bearing felsic glasses and 9 basaltic glasses with known, independently determined, iron oxidation state. Some of these glasses were measured previously via Fe XANES (7 rhyolitic, 9 basaltic glasses; Cottrell et al. 2009), while most felsic reference glasses (12) were analyzed for the first time. The main purpose of this study was to understand how small changes in glass composition, especially at the evolved end of silicate melt compositions occurring in nature, may affect a calibration of the Fe mu-XANES method.
We performed Fe mu-XANES analyses at different synchrotron radiation sources [Advanced Photon Source (APS), Argonne, U.S.A., and Angstromquelle Karlsruhe (ANKA), Germany] and compared our results to existing calibrations obtained at other synchrotron radiation sources worldwide. The compiled results revealed that changes in instrumentation have a negligible effect on the correlation between the centroid energy of the Fe pre-edge peak and the Fe oxidation state in the glasses. Oxidation of the glasses during extended exposure (up to 50 min) to the X-ray beam was not observed.
Based on the new results and literature data we determined a set of equations for different glass compositions, which can be applied for the calculation of the iron valence ratio (Fe3+/Sigma Fe) in glasses by using XANES spectra collected at different synchrotron beamlines. For instance, the compiled felsic reference material data demonstrated that the correlation between the centroid energy of the Fe pre-edge peak C-Fe (eV) and the Fe3+/Sigma Fe ratio of felsic glasses containing 60.9 to 77.5 wt% SiO2 and 1.3 to 5.7 wt% FeOtot can be accurately described by a single linear trend, if the spectra were collected at 13-ID-E beamline at APS and for 0.3 <= Fe3+/Sigma Fe <= 0.85:
C-Fe [eV] = 0.012395 (+/- 0.00026217) x Fe3+/Sigma Fe + 7112.1 (+/- 0.014525); R-2 = 0.987.
Based on this equation, the Fe oxidation state of felsic glasses can be estimated at an absolute uncertainty of +/- 2.4% Fe3+/Sigma Fe.
In general, the differences between the calibrations for felsic and mafic glasses were small and the compiled data set (i.e., results collected at four different beamlines on 79 reference glass materials) is well described by a single second-order polynomial equation.
C1 [Fiege, Adrian; Simon, Adam C.; Moore, Gordon] Univ Michigan, Dept Earth & Environm Sci, 1100 North Univ Ave, Ann Arbor, MI 48109 USA.
[Ruprecht, Philipp] Columbia Univ, Lamont Doherty Earth Observ, 61 Route 9W, Palisades, NY 10964 USA.
[Bell, Aaron S.] Univ New Mexico, Inst Meteorit, 221 Yale Blouvard NE, Albuquerque, NM 87131 USA.
[Goettlicher, Joerg] Karlsruhe Inst Technol, ANKA Synchrotron Radiat Facil, Hermann von Helmholtz Pl 1, D-76344 Eggenstein Leopoldshafen, Germany.
[Newville, Matt; Lanzirotti, Tony] Argonne Natl Lab, APS, Bldg 401,9700 S Cass Ave, Argonne, IL 60439 USA.
[Fiege, Adrian] Amer Museum Nat Hist, Dept Earth & Planetary Sci, Cent Pk West 79th St, New York, NY 10024 USA.
RP Fiege, A (reprint author), Univ Michigan, Dept Earth & Environm Sci, 1100 North Univ Ave, Ann Arbor, MI 48109 USA.; Fiege, A (reprint author), Amer Museum Nat Hist, Dept Earth & Planetary Sci, Cent Pk West 79th St, New York, NY 10024 USA.
EM afiege@amnh.org
FU U.S. National Science Foundation Collaborative Research [EAR 1250239];
Philipp Ruprecht [EAR 1250414]; DOE Office of Science by Argonne
National Laboratory [DE-AC02-06CH11357]
FX This project was supported by a U.S. National Science Foundation
Collaborative Research grant to Adam Simon (EAR 1250239) and Philipp
Ruprecht (EAR 1250414). This research used resources of the Advanced
Photon Source, a U.S. Department of Energy (DOE) Office of Science User
Facility operated for the DOE Office of Science by Argonne National
Laboratory under Contract No. DE-AC02-06CH11357. We acknowledge the
Synchrotron Light Source ANKA for provision of instruments at their
beamline SUL-X.
NR 61
TC 1
Z9 1
U1 3
U2 3
PU MINERALOGICAL SOC AMER
PI CHANTILLY
PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA
SN 0003-004X
EI 1945-3027
J9 AM MINERAL
JI Am. Miner.
PD JAN-FEB
PY 2017
VL 102
IS 1-2
BP 369
EP 380
DI 10.2138/am-2017-5822
PG 12
WC Geochemistry & Geophysics; Mineralogy
SC Geochemistry & Geophysics; Mineralogy
GA EL1TV
UT WOS:000394405000039
ER
PT J
AU Ducic, T
Paunesku, T
Chen, S
Ninkovic, M
Speling, S
Wilke, C
Lai, B
Woloschak, G
AF Ducic, Tanja
Paunesku, Tatjana
Chen, Si
Ninkovic, Milena
Speling, Swetlana
Wilke, Charlene
Lai, Barry
Woloschak, Gayle
TI Structural and elemental changes in glioblastoma cells in situ:
complementary imaging with high resolution visible light- and X-ray
microscopy
SO ANALYST
LA English
DT Article
ID NANO-TOMOGRAPHY; FLUORESCENCE; MANGANESE; MIGRATION; INVASION;
VISUALIZATION; NANOPARTICLES; BEAMLINE; GROWTH; TUMORS
AB The glioblastoma (GBM) is characterized by a short median survival and an almost 100% tumor related mortality. GBM cells exhibit highly invasive behavior whose mechanisms are not yet fully understood. The present study explores application of X-ray and visible light microscopy to display the elemental and structural images of cells from 3 patient derived GMB samples and an established GMB cell line. Slight differences in elemental concentrations, in actin cytoskeleton organization and cell morphology were noted between all cells types by X-ray fluorescence and full field soft X-ray microscopy, as well as the Structured Illumination Super-resolution Microscope (SIM). Different sample preparation approaches were used to match each imaging technique. While preparation for SIM included cell fixation and staining, intact frozen hydrated cells were used for the trace element imaging by hard X-ray fluorescence and exploration of the structural features by soft X-ray absorption tomography. Each technique documented differences between samples with regard to morphology and elemental composition and underscored the importance of use of multiple patient derived samples for detailed GBM study.
C1 [Ducic, Tanja] CELLS ALBA, Carrer Llum 2-26, Barcelona 08290, Spain.
[Paunesku, Tatjana; Woloschak, Gayle] Northwestern Univ, Dept Radiat Oncol, 300 E Super St, Chicago, IL 60611 USA.
[Chen, Si; Lai, Barry] Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Ninkovic, Milena; Speling, Swetlana] Georg August Univ Med Ctr, Dept Neurosurg, D-37075 Gottingen, Germany.
[Wilke, Charlene] Northwestern Univ, Biol Imaging Facil, 2205 Tech Dr, Evanston, IL 60208 USA.
RP Ducic, T (reprint author), CELLS ALBA, Carrer Llum 2-26, Barcelona 08290, Spain.
EM tducic@cells.es
FU U.S. DOE [DE-AC02-06CH11357]; UICC [ICR/2014/339966]
FX We thank the Advanced Photon Source (APS) facility at Argonne National
Laboratory for beam time allocation and excellent working conditions.
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.; We are thankful to Dina Arvanitis and
Josh Rappoport, from the Nikon Imaging Center, Feinberg School of
Medicine, Chicago for the help during using SIM microscope. Alison
Dufour is acknowledged for helping with the confocal imaging. Momcilo
Ducic was helping with the cryo-fixation process of cells at
Northwestern University, Evanston. Tanja Ducic's work was carried out
with financial support of the UICC Fellowship no. ICR/2014/339966.
NR 35
TC 0
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U1 2
U2 2
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0003-2654
EI 1364-5528
J9 ANALYST
JI Analyst
PY 2017
VL 142
IS 2
BP 356
EP 365
DI 10.1039/c6an02532c
PG 10
WC Chemistry, Analytical
SC Chemistry
GA EK4GU
UT WOS:000393885900014
PM 27981320
ER
PT J
AU Berhe, AA
Torn, MS
AF Berhe, Asmeret Asefaw
Torn, Margaret S.
TI Erosional redistribution of topsoil controls soil nitrogen dynamics
SO BIOGEOCHEMISTRY
LA English
DT Article
DE Soil erosion; Soil nitrogen; Soil organic matter; Coupled C and N
cycling
ID C-13 NMR-SPECTROSCOPY; PROCESS-BASED MODEL; ORGANIC-MATTER;
CARBON-CYCLE; SEDIMENT TRANSPORT; FORESTED CATCHMENTS; BURN AGRICULTURE;
BLACK CARBON; C EROSION; TERRESTRIAL
AB In recent years, the role of soil erosion on terrestrial carbon sequestration had been the focus of a growing number of studies. However, relatively little attention has been paid so far to the role of erosion on the lateral distribution of soil nitrogen (N) and the role of geomorphic processes on soil N dynamics. Here, we present primary data on the stock of nitrogen in soil and its rate of erosion at a relatively undisturbed, zero-order watershed in northern California. Erosion transports 0.26-0.47 g N m(-2) year(-1) from eroding slope positions (Summit and Slope), and about two-thirds of the eroded N enters depositional landform positions (Hollow and Plain). Our results show that depositional-position soil profiles contain up to 3 times more N than soil profiles in the eroding positions. More than 92% of all soil nitrogen was chemically bound to soil minerals in all the landform positions, compared to 2-4% each found in the free light and occluded light fractions. Nitrogen associated with the free light fraction in topsoil is particularly susceptible to loss by soil erosion. By comparison, soil N associated with the aggregate-protected occluded light fractions and the mineral-associated dense fractions is likely to be protected from gaseous and dissolved losses. On average, we found that soil N has mean residence time of 694 years in eroding landform positions, compared to 2951 years in depositional landform positions. Our results also show that microbial processing of organic matter exerts strong control on overall soil N storage and N stabilized through sorptive interactions with soil minerals only in poorly drained depositional landform positions. Soil erosion exerts important control on stock, distribution, and long-term fate of soil N in dynamic landscapes.
C1 [Berhe, Asmeret Asefaw] Univ Calif Merced, Sch Nat Sci, Life & Environm Sci, 5200 N Lake Rd, Merced, CA 95343 USA.
[Torn, Margaret S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Torn, Margaret S.] Univ Calif Berkeley, Earth & Resources Grp, Berkeley, CA 94720 USA.
RP Berhe, AA (reprint author), Univ Calif Merced, Sch Nat Sci, Life & Environm Sci, 5200 N Lake Rd, Merced, CA 95343 USA.
EM AABerhe@UCMerced.edu
FU National Research Initiative Competitive Grant from the USDA Cooperative
State Research, Education, and Extension Service [2003-35107-13601];
National Science Foundation (CAREER) [EAR-1352627]; U.S. Department of
Energy, Office of Science, [Office of Biological and Environmental
Research, Atmospheric System Research Program] [DE-AC02-05CH11231]
FX We thank John Harte and Jennifer Harden for their helpful comments
during the research process and comments on earlier versions of this
manuscript. Funding for this work was provided by the National Research
Initiative Competitive Grant 2003-35107-13601 from the USDA Cooperative
State Research, Education, and Extension Service, National Science
Foundation (CAREER, EAR-1352627), and the U.S. Department of Energy,
Office of Science, [Office of Biological and Environmental Research,
Atmospheric System Research Program] under Award Number
DE-AC02-05CH11231. The authors have declared that no competing interests
exist.
NR 100
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0168-2563
EI 1573-515X
J9 BIOGEOCHEMISTRY
JI Biogeochemistry
PD JAN
PY 2017
VL 132
IS 1-2
BP 37
EP 54
DI 10.1007/s10533-016-0286-5
PG 18
WC Environmental Sciences; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA EL1AA
UT WOS:000394351700003
ER
PT J
AU DeGregorio, BA
Tuberville, TD
Kennamer, RA
Harris, BB
Brisbin, IL
AF DeGregorio, Brett A.
Tuberville, Tracey D.
Kennamer, Robert A.
Harris, Bess B.
Brisbin, I. Lehr, Jr.
TI Spring emergence of Eastern Box Turtles (Terrapene carolina): influences
of individual variation and scale of temperature correlates
SO CANADIAN JOURNAL OF ZOOLOGY
LA English
DT Article
DE emergence cues; Eastern Box Turtle; growing degree-days; dormancy
ecology; individual variation; temperature; Terrapene carolina
ID BLACK RAT SNAKES; HIBERNATION; PATTERNS; ENVIRONMENT; MORTALITY;
JUVENILE; OBSOLETA; ECOLOGY; ORNATA; SIZE
AB Many organisms spend considerable time in dormancy to avoid stressful environmental conditions. Understanding the timing and triggers of dormancy behavior is critical for understanding an animal's life history and behavior. Eastern Box Turtles (Terrapene carolina (L., 1758)) avoid winter temperatures by burrowing into the soil and remaining dormant. Identifying the proximate environmental cues that trigger emergence can improve conservation efforts by reducing potential aboveground turtle mortality. During a 17-year study, half of all variation in emergence timing was attributed to individual variation and the habitat that they occupied during dormancy. We suggest that individual variation in emergence timing is common within populations and confounds efforts to identify reliable emergence cues. Additionally, the scale of meteorological data limits the ability to identify emergence predictors. Using data from temperature loggers placed at dormancy locations, we found that surface air temperatures, averaged over the 5 days prior to emergence, were more strongly related to emergence probability than any variables derived from local weather stations. Turtles generally did not emerge from dormancy until the 5-day mean surface temperatures measured at dormancy sites reached approximately 15 degrees C. Our results suggest that individuals respond differently to environmental thresholds for emergence and individuals may be characterized as risk-taking or risk-aversive.
C1 [DeGregorio, Brett A.; Tuberville, Tracey D.; Kennamer, Robert A.; Harris, Bess B.; Brisbin, I. Lehr, Jr.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA.
[Harris, Bess B.] Florida Fish & Wildlife Conservat Commiss, Fish & Wildlife Res Inst, Gainesville, FL 32653 USA.
[DeGregorio, Brett A.] US Army Corps Engn, ERDC, CERL, Champaign, IL 61822 USA.
RP DeGregorio, BA (reprint author), Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA.; DeGregorio, BA (reprint author), US Army Corps Engn, ERDC, CERL, Champaign, IL 61822 USA.
EM badegregorio@gmail.com
FU U.S. Department of Energy [DE-FC09-07SR22506]; Outdoors Ministry Program
of the Trinity Presbytery of the Presbyterian Church (USA)
FX Throughout these studies, valuable fieldwork was provided by K. Cartee
and B. Kirkland. We thank D. Scott for assistance summarizing data
logger outputs and J. Waldron for her assistance in acquiring
weather-station data. B. Kingsbury provided valuable guidance regarding
Box Turtle overwintering ecology and the application of GDD. This
research was supported by the U.S. Department of Energy under award
DE-FC09-07SR22506 to the University of Georgia Research Foundation and
by financial assistance provided by the Outdoors Ministry Program of the
Trinity Presbytery of the Presbyterian Church (USA).
NR 30
TC 0
Z9 0
U1 2
U2 2
PU CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS
PI OTTAWA
PA 65 AURIGA DR, SUITE 203, OTTAWA, ON K2E 7W6, CANADA
SN 0008-4301
EI 1480-3283
J9 CAN J ZOOL
JI Can. J. Zool.
PD JAN
PY 2017
VL 95
IS 1
BP 23
EP 30
DI 10.1139/cjz-2016-0149
PG 8
WC Zoology
SC Zoology
GA EK3BX
UT WOS:000393802100004
ER
PT J
AU Conte, TM
DeBenedictis, EP
Gargini, PA
Track, E
AF Conte, Thomas M.
DeBenedictis, Erik P.
Gargini, Paolo A.
Track, Elie
TI Rebooting Computing: The Road Ahead
SO COMPUTER
LA English
DT Article
AB The IEEE Rebooting Computing Initiative, proposed in 2012, has launched a 15-year technology roadmap to address escalating computing-performance pressures: stalled device-physics advances coupled with big data demands, novel machine-learning problems, and complex software paradigms. Potential solutions range from new transistor technology to quantum computing.
C1 [Conte, Thomas M.] Georgia Inst Technol, Comp Sci & Elect & Comp Engn, Atlanta, GA 30332 USA.
[DeBenedictis, Erik P.] Sandia Natl Labs, Ctr Res Comp, Livermore, CA 94550 USA.
[Gargini, Paolo A.] Int Roadmap Devices & Syst, Piscataway, NJ USA.
[Track, Elie] nVizix, Stamford, CT USA.
RP Conte, TM (reprint author), Georgia Inst Technol, Comp Sci & Elect & Comp Engn, Atlanta, GA 30332 USA.
EM tom@conte.us; epdeben@sandia.gov; paologargini1@gmail.com;
elie.track@nvizix.com
NR 8
TC 0
Z9 0
U1 1
U2 1
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 0018-9162
EI 1558-0814
J9 COMPUTER
JI Computer
PD JAN
PY 2017
VL 50
IS 1
BP 20
EP 29
PG 10
WC Computer Science, Hardware & Architecture; Computer Science, Software
Engineering
SC Computer Science
GA EK2YK
UT WOS:000393792800005
ER
PT J
AU Karna, RR
Luxton, T
Bronstein, KE
Redmon, JH
Scheckel, KG
AF Karna, Ranju R.
Luxton, Todd
Bronstein, Katherine E.
Redmon, Jennifer Hoponick
Scheckel, Kirk G.
TI State of the science review: Potential for beneficial use of waste
by-products for in situ remediation of metal-contaminated soil and
sediment
SO CRITICAL REVIEWS IN ENVIRONMENTAL SCIENCE AND TECHNOLOGY
LA English
DT Review
DE Amendments; metals; remediation; waste by-products
ID WATER-TREATMENT RESIDUALS; FLY-ASH AMENDMENT; HEAVY-METALS;
AQUEOUS-SOLUTIONS; CHEMICAL IMMOBILIZATION; POLLUTED SOILS; ACIDIC SOIL;
INORGANIC AMENDMENTS; ACTIVATED CARBON; BAUXITE RESIDUE
AB Metal and metalloid contamination of soil and sediment is a widespread problem both in urban and rural areas throughout the United States (U.S. EPA, 2014). Beneficial use of waste by-products as amendments to remediate metal-contaminated soils and sediments can provide major economic and environmental advantages on both a site-specific and national scale. These waste by-products can also reduce our need to mine virgin materials or produce synthetic materials for amendments. Waste by-products must not be hazardous or pose unacceptable risk to human health and the environment, and should be a suitable replacement for virgin and synthetic materials. This review serves to present the state of science on in situ remediation of metal-contaminated soil and sediment and the potential for beneficial usage of waste by-product materials. Not all unintended consequences can be fully understood or predicted prior to implementing a treatment option, however some realized, and potentially unrealized, benefits and unintended consequences are explored.
C1 [Karna, Ranju R.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA.
[Karna, Ranju R.; Luxton, Todd; Scheckel, Kirk G.] US EPA, Natl Risk Management Res Lab, 5995 Ctr Hill Ave, Cincinnati, OH 45224 USA.
[Bronstein, Katherine E.; Redmon, Jennifer Hoponick] RTI Int, Res Triangle Pk, NC USA.
RP Scheckel, KG (reprint author), US EPA, Natl Risk Management Res Lab, 5995 Ctr Hill Ave, Cincinnati, OH 45224 USA.
EM Scheckel.kirk@epa.gov
NR 203
TC 0
Z9 0
U1 8
U2 8
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 1064-3389
EI 1547-6537
J9 CRIT REV ENV SCI TEC
JI Crit. Rev. Environ. Sci. Technol.
PY 2017
VL 47
IS 2
BP 65
EP 129
DI 10.1080/10643389.2016.1275417
PG 65
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA EM2VZ
UT WOS:000395175200001
ER
PT J
AU Bowling, DR
Schulze, ES
Hall, SJ
AF Bowling, David R.
Schulze, Emily S.
Hall, Steven J.
TI Revisiting streamside trees that do not use stream water: can the two
water worlds hypothesis and snowpack isotopic effects explain a missing
water source?
SO ECOHYDROLOGY
LA English
DT Article
DE Acer grandidentatum; Acer negundo; groundwater; riparian; snow; water
ID STABLE-ISOTOPES; SEASONAL SNOWPACK; UNSATURATED ZONE; HYDROGEN; OXYGEN;
PLANT; SEPARATION; CLIMATE; RATIOS; XYLEM
AB We revisit a classic ecohydrological study that showed streamside riparian trees in a semiarid mountain catchment did not use perennial stream water. The original study suggested that mature individuals of Acer negundo, Acer grandidentatum, and other species were dependent on water from deeper strata, possibly groundwater. We used a dual stable isotope approach (O-18 and H-2) to further examine the water sources of these trees. We tested the hypothesis that groundwater was the main tree water source, but found that neither groundwater nor stream water matched the isotope composition of xylem water during two growing seasons. Soil water (0-1m depth) was closest to and periodically overlapped with xylem water isotope composition, but overall, xylem water was isotopically enriched compared to all measured water sources. The two water worlds hypothesis postulates that soil water comprises isotopically distinct mobile and less mobile pools that do not mix, potentially explaining this disparity. We further hypothesized that isotopic effects during snowpack metamorphosis impart a distinct isotope signature to the less mobile soil water that supplies summer transpiration. Depth trends in water isotopes following snowmelt were consistent with the two water worlds hypothesis, but snow metamorphic isotope effects could not explain the highly enriched xylem water. Thus, the dual isotope approach did not unambiguously determine the water source(s) of these riparian trees. Further exploration of physical, geochemical, and biological mechanisms of water isotope fractionation and partitioning is necessary to resolve these data, highlighting critical challenges in the isotopic determination of plant water sources.
C1 [Bowling, David R.; Schulze, Emily S.] Univ Utah, Dept Biol, 257 South 1400 East, Salt Lake City, UT 84112 USA.
[Schulze, Emily S.] Los Alamos Natl Lab, Environm Management Div, Los Alamos, NM 87545 USA.
[Hall, Steven J.] Univ Utah, Global Change & Sustainabil Ctr, 257 South 1400 East, Salt Lake City, UT 84112 USA.
[Hall, Steven J.] Iowa State Univ, Dept Ecol Evolut & Organismal Biol, 251 Bessey Hall, Ames, IA 50011 USA.
RP Bowling, DR (reprint author), Univ Utah, Dept Biol, 257 South 1400 East, Salt Lake City, UT 84112 USA.
EM david.bowling@utah.edu
FU Global Change and Sustainability Center at the University of Utah;
University of Utah; U.S. Department of Energy, Office of Science, Office
of Biological and Environmental Research, Terrestrial Ecosystem Science
Program [DE-SC0010625]; NSF EPSCoR as part of the State of Utah EPSCoR
Research Infrastructure Improvement Award [EPS 1208732]
FX Thanks to J. Renee Brooks, an anonymous reviewer, and Eric Oerter for
comments on the manuscript. We are grateful to Suzanne Bethers-Marchetti
for extensive field and lab research during the early stages of this
research and to Phil Gardner and Kip Solomon for installing the
piezometers. Kip Solomon, John Sperry, Paul Brooks, and Todd Dawson
provided many useful discussions. Thanks to Craig Cook, Suvankar
Chakraborty, and Lori Long for lab analysis and to Lori Long, Allison
Chan, Dave Eiriksson, La'Shaye Cobley, Simone Kavoka, Sean Schaeffer,
and Kevin Hultine for help in the field. E. Schulze is grateful for a
fellowship from the Global Change and Sustainability Center at the
University of Utah. This project was funded by the University of Utah,
with additional support from U.S. Department of Energy, Office of
Science, Office of Biological and Environmental Research, Terrestrial
Ecosystem Science Program under Award Number DE-SC0010625, and from NSF
EPSCoR grant EPS 1208732 awarded to Utah State University, as part of
the State of Utah EPSCoR Research Infrastructure Improvement Award.
NR 67
TC 1
Z9 1
U1 8
U2 8
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1936-0584
EI 1936-0592
J9 ECOHYDROLOGY
JI Ecohydrology
PD JAN
PY 2017
VL 10
IS 1
AR UNSP e1771
DI 10.1002/eco.1771
PG 12
WC Ecology; Environmental Sciences; Water Resources
SC Environmental Sciences & Ecology; Water Resources
GA EK4AS
UT WOS:000393870100011
ER
PT J
AU Joda, H
Sedova, A
Awan, W
Flechsig, GU
AF Joda, Hamdi
Sedova, Ada
Awan, Waqas
Flechsig, Gerd-Uwe
TI The Osmium Tetroxide Bipyridine-labeled DNA Probe: Hairpin Conformations
and Characterization of Redox-label Behavior
SO ELECTROANALYSIS
LA English
DT Article; Proceedings Paper
CT 16th International Conference on Electroanalysis (ESEAC)
CY 2016
CL Univ W England, Bath, ENGLAND
SP Inst Bio Sensing Technol
HO Univ W England
DE Voltammetry; Gold electrode; Osmium tetroxide bipyridine; DNA
Hybridization; Molecular beacon
ID SINGLE-NUCLEOTIDE POLYMORPHISM; ELECTROCHEMICAL DETECTION;
NUCLEIC-ACIDS; HYBRIDIZATION; SURFACES; ELECTRODES; SENSORS; PROTEINS;
SEQUENCE; RNA
AB Osmium tetroxide bipyridine ([OsO4(bpy)]) is a versatile label for DNA electrochemistry. Here we report our efforts to create an osmium tetroxide-labeled immobilized DNA probe for use in biosensing experiments. Our label is applied in-house, as opposed to many other covalent redox labels used with DNA. We developed an on-electrode labeling method that was able to avoid attack of our disulfide-based linker by the [OsO4(bpy)]. Our results include two different hairpin-based signal-off hybridization detection assays, each with robust, reproducible signal decrease on binding to complementary target. We also found that 6-mercapto-1-hexa-nol was able to interact with [OsO4(bpy)] in a stable manner when assembled at the surface, but was able to remove excess [OsO4(bpy)], which was found to adsorb strongly to the gold surface, and avoid MCH transformation, when applied after the labeling process. Furthermore, we found an increased adsorption affinity of [OsO4(bpy)]-labeled DNA onto gold, characterized the redox behavior of adsorbed [OsO4(bpy)], and determined voltammetric signals on the HMDE of our intact disulfide linker while verifying that this linker is attacked by [OsO4(bpy)] when in solution.
C1 [Joda, Hamdi; Sedova, Ada; Awan, Waqas; Flechsig, Gerd-Uwe] SUNY Albany, 1400 Washington Ave, Albany, NY 12222 USA.
[Joda, Hamdi] Univ Miami, Miller Sch Med, Dept Biochem & Mol Biol, 1011 NW 15th St, Miami, FL 33136 USA.
[Sedova, Ada] Oak Ridge Natl Lab, Sci Comp Grp, Natl Ctr Computat Sci, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
RP Flechsig, GU (reprint author), SUNY Albany, 1400 Washington Ave, Albany, NY 12222 USA.
EM gflechsig@albany.edu
FU SUNY Albany
FX The authors are grateful for financial support by start-up funds from
SUNY Albany.
NR 34
TC 0
Z9 0
U1 0
U2 0
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1040-0397
EI 1521-4109
J9 ELECTROANAL
JI Electroanalysis
PD JAN
PY 2017
VL 29
IS 1
SI SI
BP 51
EP 59
DI 10.1002/elan.201600523
PG 9
WC Chemistry, Analytical; Electrochemistry
SC Chemistry; Electrochemistry
GA EM0GD
UT WOS:000394995900008
ER
PT J
AU Luo, W
Khoo, YS
Hacke, P
Naumann, V
Lausch, D
Harvey, SP
Singh, JP
Chai, J
Wang, Y
Aberle, AG
Ramakrishna, S
AF Luo, Wei
Khoo, Yong Sheng
Hacke, Peter
Naumann, Volker
Lausch, Dominik
Harvey, Steven P.
Singh, Jai Prakash
Chai, Jing
Wang, Yan
Aberle, Armin G.
Ramakrishna, Seeram
TI Potential-induced degradation in photovoltaic modules: a critical review
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Review
ID SI-SOLAR-CELLS; CRYSTALLINE SILICON MODULES; HIGH-VOLTAGE BIAS;
STACKING-FAULTS; PV MODULES; TRANSFORMERLESS INVERTER; LEAKAGE CURRENTS;
FILM; SYSTEMS; DISLOCATIONS
AB Potential-induced degradation (PID) has received considerable attention in recent years due to its detrimental impact on photovoltaic (PV) module performance under field conditions. Both crystalline silicon (c-Si) and thin-film PV modules are susceptible to PID. While extensive studies have already been conducted in this area, the understanding of the PID phenomena is still incomplete and it remains a major problem in the PV industry. Herein, a critical review of the available literature is given to serve as a one-stop source for understanding the current status of PID research. This paper also aims to provide an overview of future research paths to address PID-related issues. This paper consists of three parts. In the first part, the modelling of leakage current paths in the module package is discussed. The PID mechanisms in both c-Si and thin-film PV modules are also comprehensively reviewed. The second part summarizes various test methods to evaluate PV modules for PID. The last part focuses on studies related to PID in the omnipresent p-type c-Si PV modules. The dependence of temperature, humidity and voltage on the progression of PID is examined. Preventive measures against PID at the cell, module and system levels are illustrated. Moreover, PID recovery in standard p-type c-Si PV modules is also studied. Most of the findings from p-type c-Si PV modules are also applicable to other PV module technologies.
C1 [Luo, Wei; Khoo, Yong Sheng; Singh, Jai Prakash; Chai, Jing; Wang, Yan; Aberle, Armin G.; Ramakrishna, Seeram] Natl Univ Singapore, SERIS, Singapore 117574, Singapore.
[Luo, Wei; Ramakrishna, Seeram] Natl Univ Singapore, Dept Mech Engn, Singapore 11757, Singapore.
[Hacke, Peter; Harvey, Steven P.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Naumann, Volker; Lausch, Dominik] Fraunhofer Ctr Silicon Photovolta CSP, D-06120 Halle, Saale, Germany.
[Aberle, Armin G.] Natl Univ Singapore, Dept Elect & Comp Engn, Singapore 117583, Singapore.
RP Khoo, YS (reprint author), Natl Univ Singapore, SERIS, Singapore 117574, Singapore.
EM yongshengkhoo@nus.edu.sg
FU National University of Singapore (NUS); National Research Foundation of
Singapore through the Singapore Economic Development Board; U.S.
Department of Energy [DE-AC36-08GO28308]; SuNLaMP program of the Office
of Energy Efficiency & Renewable Energy
FX The work at the Solar Energy Research Institute of Singapore (SERIS) was
sponsored by the National University of Singapore (NUS) and the National
Research Foundation of Singapore through the Singapore Economic
Development Board. The work at the National Renewable Energy Laboratory
(Peter Hacke and Steven P. Harvey) was supported by the U.S. Department
of Energy under Contract No. DE-AC36-08GO28308. Funding was provided by
the SuNLaMP program of the Office of Energy Efficiency & Renewable
Energy.
NR 169
TC 0
Z9 0
U1 5
U2 5
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1754-5692
EI 1754-5706
J9 ENERG ENVIRON SCI
JI Energy Environ. Sci.
PY 2017
VL 10
IS 1
BP 43
EP 68
DI 10.1039/c6ee02271e
PG 26
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA EM3IL
UT WOS:000395208000002
ER
PT J
AU Noel, NK
Habisreutinger, SN
Wenger, B
Klug, MT
Horantner, MT
Johnston, MB
Nicholas, RJ
Moore, DT
Snaith, HJ
AF Noel, Nakita K.
Habisreutinger, Severin N.
Wenger, Bernard
Klug, Matthew T.
Horantner, Maximilian T.
Johnston, Michael B.
Nicholas, Robin J.
Moore, David T.
Snaith, Henry J.
TI A low viscosity, low boiling point, clean solvent system for the rapid
crystallisation of highly specular perovskite films
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID ORGANOMETAL HALIDE PEROVSKITES; HETEROJUNCTION SOLAR-CELLS; THIN-FILMS;
PERFORMANCE; DEPOSITION; TRIHALIDE; PHOTOVOLTAICS; LAYERS
AB Perovskite-based photovoltaics have, in recent years, become poised to revolutionise the solar industry. While there have been many approaches taken to the deposition of this material, one-step spin-coating remains the simplest and most widely used method in research laboratories. Although spin-coating is not recognised as the ideal manufacturing methodology, it represents a starting point from which more scalable deposition methods, such as slot-dye coating or ink-jet printing can be developed. Here, we introduce a new, low-boiling point, low viscosity solvent system that enables rapid, room temperature crystallisation of methylammonium lead triiodide perovskite films, without the use of strongly coordinating aprotic solvents. Through the use of this solvent, we produce dense, pinhole free films with uniform coverage, high specularity, and enhanced optoelectronic properties. We fabricate devices and achieve stabilised power conversion efficiencies of over 18% for films which have been annealed at 100 degrees C, and over 17% for films which have been dried under vacuum and have undergone no thermal processing. This deposition technique allows uniform coating on substrate areas of up to 125 cm(2), showing tremendous promise for the fabrication of large area, high efficiency, solution processed devices, and represents a critical step towards industrial upscaling and large area printing of perovskite solar cells.
C1 [Noel, Nakita K.; Habisreutinger, Severin N.; Wenger, Bernard; Klug, Matthew T.; Horantner, Maximilian T.; Johnston, Michael B.; Nicholas, Robin J.; Moore, David T.; Snaith, Henry J.] Univ Oxford, Dept Phys, Clarendon Lab, Parks Rd, Oxford OX1 3PU, England.
[Moore, David T.] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
RP Moore, DT; Snaith, HJ (reprint author), Univ Oxford, Dept Phys, Clarendon Lab, Parks Rd, Oxford OX1 3PU, England.; Moore, DT (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM david.moore@nrel.gov; h.snaith1@physics.ox.ac.uk
OI Wenger, Bernard/0000-0001-9026-7064
FU Engineering and Physical Sciences Research Council (EPSRC); European
Research Council (ERC) HYPER PROJECT [27988]; International
Collaborative Energy Technology R&D Program of the Korean Institute of
Energy Technology Evaluation and Planning (KETEP); National Renewable
Energy Laboratory under DOE [DE-AC36-08GO28308]
FX This work was supported by the Engineering and Physical Sciences
Research Council (EPSRC), and the European Research Council (ERC) HYPER
PROJECT no. 27988. S. N. H. acknowledges support from the International
Collaborative Energy Technology R&D Program of the Korean Institute of
Energy Technology Evaluation and Planning (KETEP). D. T. M. is supported
by the National Renewable Energy Laboratory Director's Fellowship,
funded under DOE contract number DE-AC36-08GO28308. The authors would
like to thank Dr Alexandra Ramadan and Dr Pabitra K. Nayak for helpful
discussions, and Jay B. Patel for assistance with EQE measurements.
NR 42
TC 2
Z9 2
U1 9
U2 9
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1754-5692
EI 1754-5706
J9 ENERG ENVIRON SCI
JI Energy Environ. Sci.
PY 2017
VL 10
IS 1
BP 145
EP 152
DI 10.1039/c6ee02373h
PG 8
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA EM3IL
UT WOS:000395208000012
ER
PT J
AU Kang, ZY
Mo, JK
Yang, GQ
Retterer, ST
Cullen, DA
Toops, TJ
Green, JB
Mench, MM
Zhang, FY
AF Kang, Zhenye
Mo, Jingke
Yang, Gaoqiang
Retterer, Scott T.
Cullen, David A.
Toops, Todd J.
Green, Johney B., Jr.
Mench, Matthew M.
Zhang, Feng-Yuan
TI Investigation of thin/well-tunable liquid/gas diffusion layers
exhibiting superior multifunctional performance in low-temperature
electrolytic water splitting
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID EXCHANGE MEMBRANE ELECTROLYZER; ELECTROCHEMICAL IMPEDANCE SPECTROSCOPY;
FUEL-CELLS; OXYGEN EVOLUTION; BIPOLAR PLATES; HYDROGEN-PRODUCTION;
CURRENT COLLECTORS; ENERGY-PRODUCTION; PEM ELECTROLYSIS; STORAGE
AB Liquid/gas diffusion layers (LGDLs), which are located between the catalyst layer (CL) and bipolar plate (BP), play an important role in enhancing the performance of water splitting in proton exchange membrane electrolyzer cells (PEMECs). They are expected to transport electrons, heat, and reactants/ products simultaneously with minimum voltage, current, thermal, interfacial, and fluidic losses. In this study, the thin titanium-based LGDLs with straight-through pores and well-defined pore morphologies are comprehensively investigated for the first time. The novel LGDL with a 400 mm pore size and 0.7 porosity achieved a best-ever performance of 1.66 V at 2 A cm(-2) and 80 degrees C, as compared to the published literature. The thin/well-tunable titanium based LGDLs remarkably reduce ohmic and activation losses, and it was found that porosity has a more significant impact on performance than pore size. In addition, an appropriate equivalent electrical circuit model has been established to quantify the effects of pore morphologies. The rapid electrochemical reaction phenomena at the center of the PEMEC are observed by coupling with high-speed and micro-scale visualization systems. The observed reactions contribute reasonable and pioneering data that elucidate the effects of porosity and pore size on the PEMEC performance. This study can be a new guide for future research and development towards high-efficiency and low-cost hydrogen energy.
C1 [Kang, Zhenye; Mo, Jingke; Yang, Gaoqiang; Zhang, Feng-Yuan] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, UT Space Inst, Knoxville, TN 37996 USA.
[Retterer, Scott T.; Cullen, David A.; Toops, Todd J.; Green, Johney B., Jr.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Mench, Matthew M.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN USA.
[Green, Johney B., Jr.] Natl Renewable Energy Lab, Golden, CO USA.
RP Zhang, FY (reprint author), Univ Tennessee, Dept Mech Aerosp & Biomed Engn, UT Space Inst, Knoxville, TN 37996 USA.
EM fzhang@utk.edu
OI Cullen, David/0000-0002-2593-7866
FU U.S. Department of Energy's National Energy Technology Laboratory
[DE-FE0011585]
FX The authors greatly appreciate the support from U.S. Department of
Energy's National Energy Technology Laboratory under Award DE-FE0011585.
This research was partially conducted at the Center for Nanophase
Materials Sciences, which is a DOE Office of Science User Facility. The
authors also wish to express their appreciation to Dr Bo Han, Dr Lee
Leonard, Dr Jacqueline Anne Johnson, William Barnhill, Stuart Steen,
Alexander Terekhov, Douglas Warnberg, Kate Lansford, and Andrew Mays for
their help.
NR 66
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U1 6
U2 6
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1754-5692
EI 1754-5706
J9 ENERG ENVIRON SCI
JI Energy Environ. Sci.
PY 2017
VL 10
IS 1
BP 166
EP 175
DI 10.1039/c6ee02368a
PG 10
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA EM3IL
UT WOS:000395208000014
ER
PT J
AU Kornblum, L
Fenning, DP
Faucher, J
Hwang, J
Boni, A
Han, MG
Morales-Acosta, MD
Zhu, Y
Altman, EI
Lee, ML
Ahn, CH
Walker, FJ
Shao-Horn, Y
AF Kornblum, L.
Fenning, D. P.
Faucher, J.
Hwang, J.
Boni, A.
Han, M. G.
Morales-Acosta, M. D.
Zhu, Y.
Altman, E. I.
Lee, M. L.
Ahn, C. H.
Walker, F. J.
Shao-Horn, Y.
TI Solar hydrogen production using epitaxial SrTiO3 on a GaAs photovoltaic
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID WATER OXIDATION; SILICON PHOTOANODES; CARBON-MONOXIDE; H-2 EVOLUTION;
NEUTRAL PH; EFFICIENCY; OXYGEN; CELLS; LAYER; GAP
AB We demonstrate an oxide-stabilized III-V photoelectrode architecture for solar fuel production from water in neutral pH. For this tunable architecture we demonstrate 100% Faradaic efficiency for hydrogen evolution, and incident photon-to-current efficiencies (IPCE) exceeding 50%. High IPCE for hydrogen evolution is a consequence of the low-loss interface achieved via epitaxial growth of a thin oxide on a GaAs solar cell. Developing optimal energetic alignment across the interfaces of the photoelectrode using well-established III-V technology is key to obtaining high performance. This advance constitutes a critical milestone towards efficient, unassisted fuel production from solar energy.
C1 [Kornblum, L.; Ahn, C. H.; Walker, F. J.] Yale Univ, Dept Appl Phys, New Haven, CT 06511 USA.
[Kornblum, L.; Morales-Acosta, M. D.; Altman, E. I.; Ahn, C. H.; Walker, F. J.] Yale Univ, Ctr Res Interface Struct & Phenomena, New Haven, CT 06511 USA.
[Fenning, D. P.; Boni, A.; Shao-Horn, Y.] MIT, Dept Mech Engn, Cambridge, MA 02139 USA.
[Fenning, D. P.] Univ Calif San Diego, Dept Nanoengn, La Jolla, CA 92093 USA.
[Faucher, J.; Lee, M. L.] Yale Univ, Dept Elect Engn, New Haven, CT 06511 USA.
[Hwang, J.; Shao-Horn, Y.] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA.
[Boni, A.] Univ Bologna, Dept Chem G Ciamician, Via Selmi 2, I-40126 Bologna, Italy.
[Han, M. G.; Zhu, Y.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
[Altman, E. I.] Yale Univ, Dept Chem Engn & Environm Engn, New Haven, CT 06511 USA.
[Ahn, C. H.] Yale Univ, Dept Mech Engn & Mat Sci, New Haven, CT 06511 USA.
[Lee, M. L.] Univ Illinois, Dept Elect & Comp Engn, Urbana, IL 61801 USA.
RP Walker, FJ (reprint author), Yale Univ, Dept Appl Phys, New Haven, CT 06511 USA.; Walker, FJ (reprint author), Yale Univ, Ctr Res Interface Struct & Phenomena, New Haven, CT 06511 USA.; Shao-Horn, Y (reprint author), MIT, Dept Mech Engn, Cambridge, MA 02139 USA.; Shao-Horn, Y (reprint author), MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA.
EM fred.walker@yale.edu; shaohorn@mit.edu
FU NSF [DMR1309868]; MRSEC (CRISP) [DMR-1119826]; MIT Energy Initiative
seed fund; MIT/Battelle postdoctoral program; ARPA-E Award
[DE-AR0000508]; Materials Science and Engineering Divisions, Office of
Basic Energy Sciences, of the US Department of Energy
[DE-AC02-98CH10886]
FX The authors (CHA, LK, MDAM, and FJW) acknowledge support from NSF
DMR1309868 and EIA acknowledges support from MRSEC DMR-1119826 (CRISP).
Support for MIT research is acknowledged from the MIT Energy Initiative
seed fund and the Cooperative Agreement between the Masdar Institute of
Science and Technology, Abu Dhabi, UAE and MIT, Reference Number
02/MI/MIT/CP/11/07633/GEN/G/00. DPF acknowledges the support of the
MIT/Battelle postdoctoral program. JF and MLL acknowledge support from
ARPA-E Award DE-AR0000508. The work at Brookhaven National Laboratory
was supported by the Materials Science and Engineering Divisions, Office
of Basic Energy Sciences, of the US Department of Energy, under Contract
No. DE-AC02-98CH10886. The authors are grateful to Nir Pour for his
expertise in preparing Fig. 1. The authors also thank Dr Ifan E. L.
Stephens for discussions and assistance in measuring Pt wire, and Dr B.
R. Lukanov for his contributions to the early stages of this project.
NR 45
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U1 2
U2 2
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1754-5692
EI 1754-5706
J9 ENERG ENVIRON SCI
JI Energy Environ. Sci.
PY 2017
VL 10
IS 1
BP 377
EP 382
DI 10.1039/c6ee03170f
PG 6
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA EM3IL
UT WOS:000395208000035
ER
PT J
AU Rubin, DM
Fairen, AG
Martinez-Frias, J
Frydenvang, J
Gasnault, O
Gelfenbaum, G
Goetz, W
Grotzinger, JP
Le Mouelic, S
Mangold, N
Newsom, H
Oehler, DZ
Rapin, W
Schieber, J
Wiens, RC
AF Rubin, David M.
Fairen, A. G.
Martinez-Frias, J.
Frydenvang, J.
Gasnault, O.
Gelfenbaum, G.
Goetz, W.
Grotzinger, J. P.
Le Mouelic, S.
Mangold, N.
Newsom, H.
Oehler, D. Z.
Rapin, W.
Schieber, J.
Wiens, R. C.
TI Fluidized-sediment pipes in Gale crater, Mars, and possible Earth
analogs
SO GEOLOGY
LA English
DT Article
ID CHEMCAM INSTRUMENT SUITE; ARABIA TERRA; DEPOSITS; SYSTEM; CANDOR; WATER;
UNIT
AB Since landing in Gale crater, the Mars Science Laboratory rover Curiosity has traversed fluvial, lacustrine, and eolian sedimentary rocks that were deposited within the crater similar to 3.6 to 3.2 b.y. ago. Here we describe structures interpreted to be pipes formed by vertical movement of fluidized sediment. Like many pipes on Earth, those in Gale crater are more resistant to erosion than the host rock; they form near other pipes, dikes, or deformed sediment; and some contain internal concentric or eccentric layering. These structures provide new evidence of the importance of subsurface aqueous processes in shaping the near-surface geology of Mars.
C1 [Rubin, David M.] Univ Calif Santa Cruz, Dept Earth & Planetary Sci, Santa Cruz, CA 95064 USA.
[Fairen, A. G.] CSIC, Inst Nacl Tecn Aeroespacial, Ctr Astrobiol, Torrejon De Ardoz 28850, Spain.
[Fairen, A. G.] Cornell Univ, Dept Astron, Ithaca, NY 14853 USA.
[Martinez-Frias, J.] Univ Complutense Madrid, CSIC, Inst Geociencias IGEO, E-28040 Madrid, Spain.
[Frydenvang, J.; Rapin, W.; Wiens, R. C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Gasnault, O.] Inst Rech Astrophys & Planetol, F-31400 Toulouse, France.
[Gelfenbaum, G.] US Geol Survey, Pacific Coastal & Marine Sci Ctr, Santa Cruz, CA 95060 USA.
[Goetz, W.] Max Planck Inst Solar Syst Res, D-37077 Gottingen, Germany.
[Grotzinger, J. P.] CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA.
[Le Mouelic, S.; Mangold, N.] Univ Nantes, CNRS UMR6112, Lab Planetol & Geodynam Nantes, F-44322 Nantes 3, France.
[Newsom, H.] Univ New Mexico, Inst Meteorit, Albuquerque, NM 87131 USA.
[Oehler, D. Z.] NASA, LZ Technol, Johnson Space Ctr, Houston, TX 77058 USA.
[Schieber, J.] Indiana Univ, Dept Geol Sci, Bloomington, IN 47408 USA.
RP Rubin, DM (reprint author), Univ Calif Santa Cruz, Dept Earth & Planetary Sci, Santa Cruz, CA 95064 USA.
FU NASA Mars Exploration Program; NASA MSL Participating Scientist Program;
Project icyMARS, European Research Council [307496]
FX This work could not have been completed without the NASA Mars Science
Laboratory (MSL) engineering, management, and operations teams,
supported by the NASA Mars Exploration Program. Support for Rubin,
Goetz, and Oehler was provided by the NASA MSL Participating Scientist
Program. Fairen was supported by the Project icyMARS, European Research
Council Starting grant 307496. We thank Margie Chan, Andrew Hurst, David
Loope, Massimo Moretti, Jeff Peakall, and James Schmitt for constructive
reviews.
NR 36
TC 0
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U1 3
U2 3
PU GEOLOGICAL SOC AMER, INC
PI BOULDER
PA PO BOX 9140, BOULDER, CO 80301-9140 USA
SN 0091-7613
EI 1943-2682
J9 GEOLOGY
JI Geology
PD JAN
PY 2017
VL 45
IS 1
BP 7
EP 10
DI 10.1130/G38339.1
PG 4
WC Geology
SC Geology
GA EN6OT
UT WOS:000396124000004
ER
PT J
AU Bauer, N
Calvin, K
Emmerling, J
Fricko, O
Fujimori, S
Hilaire, J
Eom, J
Krey, V
Kriegler, E
Mouratiadou, I
de Boer, HS
van den Berg, M
Carrara, S
Daioglou, V
Drouet, L
Edmonds, JE
Gernaat, D
Havlik, P
Johnson, N
Klein, D
Kyle, P
Marangoni, G
Masui, T
Pietzcker, RC
Strubegger, M
Wise, M
Riahi, K
van Vuuren, DP
AF Bauer, Nico
Calvin, Katherine
Emmerling, Johannes
Fricko, Oliver
Fujimori, Shinichiro
Hilaire, Jerome
Eom, Jiyong
Krey, Volker
Kriegler, Elmar
Mouratiadou, Ioanna
de Boer, Harmen Sytze
van den Berg, Maarten
Carrara, Samuel
Daioglou, Vassilis
Drouet, Laurent
Edmonds, James E.
Gernaat, David
Havlik, Petr
Johnson, Nils
Klein, David
Kyle, Page
Marangoni, Giacomo
Masui, Toshihiko
Pietzcker, Robert C.
Strubegger, Manfred
Wise, Marshall
Riahi, Keywan
van Vuuren, Detlef P.
TI Shared Socio-Economic Pathways of the Energy Sector - Quantifying the
Narratives
SO GLOBAL ENVIRONMENTAL CHANGE-HUMAN AND POLICY DIMENSIONS
LA English
DT Article
DE Shared Socio-economic Pathways (SSPs); Integrated Assessment Models
(IAMs); Energy system; Energy demand; Energy supply; Energy resources
ID CLIMATE-CHANGE RESEARCH; 2 DEGREES-C; SCENARIO FRAMEWORK; FUTURE;
AVAILABILITY; TECHNOLOGIES; CONVERGENCE; MITIGATION; PATTERNS
AB Energy is crucial for supporting basic human needs, development and well-being. The future evolution of the scale and character of the energy system will be fundamentally shaped by socioeconomic conditions and drivers, available energy resources, technologies of energy supply and transformation, and end-use energy demand. However, because energy-related activities are significant sources of greenhouse gas (GHG) emissions and other environmental and social externalities, energy system development will also be influenced by social acceptance and strategic policy choices. All of these uncertainties have important implications for many aspects of economic and environmental sustainability, and climate change in particular. In the Shared-Socioeconomic Pathway (SSP) framework these uncertainties are structured into five narratives, arranged according to the challenges to climate change mitigation and adaptation. In this study we explore future energy sector developments across the five SSPs using Integrated Assessment Models (IAMs), and we also provide summary output and analysis for selected scenarios of global emissions mitigation policies. The mitigation challenge strongly corresponds with global baseline energy sector growth over the 21st century, which varies between 40% and 230% depending on final energy consumer behavior, technological improvements, resource availability and policies. The future baseline CO2-emission range is even larger, as the most energy-intensive SSP also incorporates a comparatively high share of carbon-intensive fossil fuels, and vice versa. Inter-regional disparities in the SSPs are consistent with the underlying socioeconomic assumptions; these differences are particularly strong in the SSPs with large adaptation challenges, which have little inter-regional convergence in long-term income and final energy demand levels. The scenarios presented do not include feedbacks of climate change on energy sector development. The energy sector SSPs with and without emissions mitigation policies are introduced and analyzed here in order to contribute to future research in climate sciences, mitigation analysis, and studies on impacts, adaptation and vulnerability. (C) 2016 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
C1 [Bauer, Nico; Hilaire, Jerome; Kriegler, Elmar; Mouratiadou, Ioanna; Pietzcker, Robert C.] Potsdam Inst Climate Impact Res PIK, Potsdam, Germany.
[Calvin, Katherine; Eom, Jiyong; Edmonds, James E.; Kyle, Page; Wise, Marshall; Riahi, Keywan] PNNL, College Pk, MD USA.
[Emmerling, Johannes; Carrara, Samuel; Drouet, Laurent; Marangoni, Giacomo] FEEM, Venice, Italy.
[Emmerling, Johannes; Carrara, Samuel; Drouet, Laurent; Marangoni, Giacomo] Ctr Euromediterraneo Cambiamenti Climat CMCC, Venice, Italy.
[Fricko, Oliver; Krey, Volker; Havlik, Petr; Johnson, Nils; Strubegger, Manfred] Int Inst Appl Syst Anal IIASA, Vienna, Austria.
[Fujimori, Shinichiro; Masui, Toshihiko] Natl Inst Environm Studies NIES, Tsukuba, Ibaraki, Japan.
[Hilaire, Jerome] Mercator Res Inst Global Commons & Climate Change, Berlin, Germany.
[Eom, Jiyong] KAIST Business Sch, Grad Sch Green Growth, Seoul, South Korea.
[de Boer, Harmen Sytze; van den Berg, Maarten; Daioglou, Vassilis; van Vuuren, Detlef P.] Netherlands Environm Assessment Agcy PBL, Utrecht, Netherlands.
[van Vuuren, Detlef P.] Univ Utrecht, Copernicus Inst Sustainable Dev, Utrecht, Netherlands.
RP Bauer, N (reprint author), Potsdam Inst Climate Impact Res PIK, Potsdam, Germany.
EM Nico.Bauer@pik-potsdam.de
OI Fujimori, Shinichiro/0000-0001-7897-1796
FU German Federal Ministry of Education and Research (BMBF) [01LA11020B];
Ministry of the Environment, Japan [2-1402]
FX N.B. and J.H. were supported by funding from the German Federal Ministry
of Education and Research (BMBF), in the Call "Economics of Climate
Change" (funding code 01LA11020B, Green Paradox). NIES is grateful for
the research support of the "Global Environmental Research Fund"
(2-1402) provided by the Ministry of the Environment, Japan.
NR 61
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U1 0
U2 0
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0959-3780
EI 1872-9495
J9 GLOBAL ENVIRON CHANG
JI Glob. Environ. Change-Human Policy Dimens.
PD JAN
PY 2017
VL 42
BP 316
EP 330
DI 10.1016/j.gloenvcha.2016.07.006
PG 15
WC Environmental Sciences; Environmental Studies; Geography
SC Environmental Sciences & Ecology; Geography
GA EL5AS
UT WOS:000394634500027
ER
PT J
AU Fleetwood, DM
Brown, D
Girard, S
Gerardin, S
Quinn, H
Kobayashi, D
Esqueda, IS
Robinson, W
AF Fleetwood, Dan M.
Brown, Dennis
Girard, Sylvain
Gerardin, Simone
Quinn, Heather
Kobayashi, Daisuke
Esqueda, Ivan Sanchez
Robinson, William
TI Special NSREC 2016 Issue of the IEEE TRANSACTIONS ON NUCLEAR SCIENCE
Comments by the Editors
SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE
LA English
DT Editorial Material
C1 [Fleetwood, Dan M.; Robinson, William] Vanderbilt Univ, 221 Kirkland Hall, Nashville, TN 37235 USA.
[Brown, Dennis] IEEE NPSS, Washington, DC USA.
[Girard, Sylvain] Univ St Etienne, St Etienne, France.
[Gerardin, Simone] Univ Padua, I-35100 Padua, Italy.
[Quinn, Heather] Los Alamos Natl Lab, Los Alamos, NM USA.
[Kobayashi, Daisuke] ISAS JAXA, Tokyo, Japan.
[Esqueda, Ivan Sanchez] USC ISI, Los Angeles, CA USA.
RP Fleetwood, DM (reprint author), Vanderbilt Univ, 221 Kirkland Hall, Nashville, TN 37235 USA.
NR 0
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PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0018-9499
EI 1558-1578
J9 IEEE T NUCL SCI
JI IEEE Trans. Nucl. Sci.
PD JAN
PY 2017
VL 64
IS 1
BP 9
EP 9
DI 10.1109/TNS.2017.2656300
PN 1
PG 1
WC Engineering, Electrical & Electronic; Nuclear Science & Technology
SC Engineering; Nuclear Science & Technology
GA EO0RB
UT WOS:000396404500002
ER
PT J
AU Khachatrian, A
Roche, NJH
Buchner, SP
Koehler, AD
Anderson, TJ
Hobart, KD
McMorrow, D
LaLumondiere, SD
Wells, NP
Bonsall, J
Dillingham, EC
Karuza, P
Brewe, DL
Lotshaw, WT
Moss, SC
Ferlet-Cavrois, V
Muschitiello, M
AF Khachatrian, A.
Roche, N. J. -H.
Buchner, S. P.
Koehler, A. D.
Anderson, T. J.
Hobart, K. D.
McMorrow, D.
LaLumondiere, S. D.
Wells, N. P.
Bonsall, J.
Dillingham, E. C.
Karuza, P.
Brewe, D. L.
Lotshaw, W. T.
Moss, S. C.
Ferlet-Cavrois, V.
Muschitiello, M.
TI Application of a Focused, Pulsed X-Ray Beam to the Investigation of
Single-Event Transients in Al0.3Ga0.7N/GaN HEMTs
SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE
LA English
DT Article; Proceedings Paper
CT 53rd IEEE Nuclear and Space Radiation Effects Conference (NSREC)
CY JUL 11-15, 2016
CL Portland, OR
SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm
DE Aluminum gallium nitride; high electron mobility transistor; pulsed
X-rays; single event transients; two-dimensional electron gas
ID ALGAN/GAN HEMTS; CHARGE COLLECTION; TRANSISTORS; ABSORPTION
AB A focused, pulsed x-ray beam was used to compare SET characteristics in pristine and proton-irradiated Al0.3Ga0.7N/GaN HEMTs. Measured SET amplitudes and trailing-edge decay times were analyzed as was the collected charge, obtained by integrating the SET pulses over time. SETs generated in proton-irradiated HEMTs differed significantly from those in pristine HEMTs with regard to the decay times and collected charge. The decay times have previously been shown to be attributed to charge trapping by defect states that are caused either by imperfect material growth conditions or by proton-induced displacement damage. The longer decay times observed for proton-irradiated HEMTs are attributed to the presence of additional deep traps created when protons lose energy as they collide with the nuclei of constituent atoms. Comparison of electrical parameters measured before and immediately following exposure to the focused x-ray beam showed little change, confirming the absence of significant charge buildup in passivation layers by the x-rays themselves. A major advantage of the pulsed x-ray technique is that the region under the metal gate can be probed for single-event transients from the top side, an approach incompatible with pulsed-laser SEE testing that involves the use of visible light.
C1 [Khachatrian, A.] Sotera Def, Annapolis Jct, MD 20701 USA.
[Roche, N. J. -H.] George Washington Univ, Washington, DC 20052 USA.
[Roche, N. J. -H.] Univ Montpellier 2, Montpellier 5, France.
[Buchner, S. P.; Koehler, A. D.; Anderson, T. J.; Hobart, K. D.; McMorrow, D.] Naval Res Lab, Washington, DC 20375 USA.
[LaLumondiere, S. D.; Wells, N. P.; Bonsall, J.; Dillingham, E. C.; Karuza, P.; Lotshaw, W. T.; Moss, S. C.] Aerosp Corp, El Segundo, CA 90009 USA.
[Brewe, D. L.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Ferlet-Cavrois, V.; Muschitiello, M.] European Space Agcy, Estec, NL-2200 AG Noordwijk, Netherlands.
RP Khachatrian, A (reprint author), Sotera Def, Annapolis Jct, MD 20701 USA.
EM ani.khachatrian.ctr@nrl.navy.mil; stephen.buchner@nrl.navy.mil;
stephen.d.lalumondiere@aero.org
FU Defense Threat Reduction Agency; Department of the Navy
FX This work was supported in part by the Defense Threat Reduction Agency
and the Department of the Navy.
NR 12
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U1 1
U2 1
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0018-9499
EI 1558-1578
J9 IEEE T NUCL SCI
JI IEEE Trans. Nucl. Sci.
PD JAN
PY 2017
VL 64
IS 1
BP 97
EP 105
DI 10.1109/TNS.2016.2641678
PN 1
PG 9
WC Engineering, Electrical & Electronic; Nuclear Science & Technology
SC Engineering; Nuclear Science & Technology
GA EO0RB
UT WOS:000396404500015
ER
PT J
AU Aguirre, BA
Bielejec, E
Fleming, RM
Vizkelethy, G
Vaandrager, B
Campbell, J
Martin, WJ
King, DB
AF Aguirre, B. A.
Bielejec, E.
Fleming, R. M.
Vizkelethy, G.
Vaandrager, B.
Campbell, J.
Martin, W. J.
King, D. B.
TI Comparison of Gain Degradation and Deep Level Transient Spectroscopy in
pnp Si Bipolar Junction Transistors Irradiated With Different Ion
Species
SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE
LA English
DT Article; Proceedings Paper
CT 53rd IEEE Nuclear and Space Radiation Effects Conference (NSREC)
CY JUL 11-15, 2016
CL Portland, OR
SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm
DE Deep level transient spectroscopy (DLTS); displacement damage; gain
degradation; ion irradiation; Si BJT
ID DISPLACEMENT DAMAGE; NEUTRON-IRRADIATION; HEAVY-IONS; SILICON; DEVICES;
BEAM; DLTS
AB We studied the effect of light ion and heavy ion irradiations on pnp Si BJTs. A mismatch in DLTS deep peak amplitude for devices with same final gain but irradiated with different ion species was observed. Also, different ions cause different gain degradation when the DLTS spectra are matched. Pre-dosed ion-irradiated samples show that ion induced ionization does not account for the differences in DLTS peak height but isochronal annealing studies suggest that light ions produce more VP defects than heavy ions to compensate for the lack of clusters that heavy ions produce. The creation of defect clusters by heavy ions is evident by the higher content of E4 and V-2* defects compared to light ions.
C1 [Aguirre, B. A.; Bielejec, E.; Fleming, R. M.; Vizkelethy, G.; Vaandrager, B.; Campbell, J.; Martin, W. J.; King, D. B.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
RP Aguirre, BA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM baaguir@sandia.gov; esbiele@sandia.gov; rmflemi@sandia.gov;
gvizkel@sandia.gov; bvaandr@sandia.gov; jcampb2@sandia.gov;
wjmarti@sandia.gov; dbking@sandia.gov
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000. SAND2016-6546 C]
FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a
Lockheed-Martin Company, for the U.S. Department of Energy's National
Nuclear Security Administration under contract DE-AC04-94AL85000.
SAND2016-6546 C.
NR 23
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U1 1
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PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0018-9499
EI 1558-1578
J9 IEEE T NUCL SCI
JI IEEE Trans. Nucl. Sci.
PD JAN
PY 2017
VL 64
IS 1
BP 190
EP 196
DI 10.1109/TNS.2016.2636809
PN 1
PG 7
WC Engineering, Electrical & Electronic; Nuclear Science & Technology
SC Engineering; Nuclear Science & Technology
GA EO0RB
UT WOS:000396404500028
ER
PT J
AU Zhang, EX
Fleetwood, DM
Hachtel, JA
Liang, CD
Reed, RA
Alles, ML
Schrimpf, RD
Linten, D
Mitard, J
Chisholm, MF
Pantelides, ST
AF Zhang, En Xia
Fleetwood, Daniel M.
Hachtel, Jordan A.
Liang, Chundong
Reed, Robert A.
Alles, Michael L.
Schrimpf, Ronald D.
Linten, Dimitri
Mitard, Jerome
Chisholm, Matthew F.
Pantelides, Sokrates T.
TI Total Ionizing Dose Effects on Strained Ge pMOS FinFETs on Bulk Si
SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE
LA English
DT Article; Proceedings Paper
CT 53rd IEEE Nuclear and Space Radiation Effects Conference (NSREC)
CY JUL 11-15, 2016
CL Portland, OR
SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm
DE 10 keV X-ray; geometry dependence; germanium FinFETs; total ionizing
dose
ID DEPENDENCE; RADIATION; MOSFETS; TRANSISTORS; NOISE
AB We have characterized the total ionizing dose response of strained Ge pMOS FinFETs built on bulk Si using a fin replacement process. Devices irradiated to 1.0 Mrad(SiO2) show minimal transconductance degradation (less than 5%), very small V-th shifts (less than 40 mV in magnitude) and very little ON/OFF current ratio degradation (<5%), and only modest variation in radiation response with transistor geometry (typically less than normal part-to-part variation). Both before and after irradiation, the performance of these strained Ge pMOS FinFETs is far superior to that of past generations of planar Ge pMOS devices. These improved properties result from significant improvements in processing technology, as well as the enhanced gate control provided by the strained Ge FinFET technology.
C1 [Zhang, En Xia; Fleetwood, Daniel M.; Liang, Chundong; Reed, Robert A.; Alles, Michael L.; Schrimpf, Ronald D.] Vanderbilt Univ, Dept Elect Engn & Comp Sci, 221 Kirkland Hall, Nashville, TN 37235 USA.
[Hachtel, Jordan A.; Pantelides, Sokrates T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA.
[Hachtel, Jordan A.; Pantelides, Sokrates T.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Linten, Dimitri; Mitard, Jerome] IMEC, Kapeldreef 75, B-3001 Leuven, Belgium.
[Chisholm, Matthew F.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
RP Zhang, EX (reprint author), Vanderbilt Univ, Dept Elect Engn & Comp Sci, 221 Kirkland Hall, Nashville, TN 37235 USA.
EM enxia.zhang@vanderbilt.edu; dan.fleetwood@vanderbilt.edu;
jordan.a.hachtel@vanderbilt.edu; chundong.liang@vanderbilt.edu;
robert.reed@vanderbilt.edu; mike.alles@vanderbilt.edu;
ron.schrimpf@vanderbilt.edu; linten@imec.be; mitard@imec.be;
chisholmmf@ornl.gov; pantelides@vanderbilt.edu
FU AFRL; AFOSR through the Hi-REV program; Defense Threat Reduction Agency;
Department of Energy, Office of Science, Basic Energy Sciences,
Materials Sciences and Engineering Division; [DE-FG02-09ER46554]
FX This work was supported by AFRL and AFOSR through the Hi-REV program and
by the Defense Threat Reduction Agency through its Basic Research
program. The work at Oak Ridge was supported by the Department of
Energy, Office of Science, Basic Energy Sciences, Materials Sciences and
Engineering Division. Additional support was provided from grant
DE-FG02-09ER46554.
NR 26
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PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0018-9499
EI 1558-1578
J9 IEEE T NUCL SCI
JI IEEE Trans. Nucl. Sci.
PD JAN
PY 2017
VL 64
IS 1
BP 226
EP 232
DI 10.1109/TNS.2016.2635023
PN 1
PG 7
WC Engineering, Electrical & Electronic; Nuclear Science & Technology
SC Engineering; Nuclear Science & Technology
GA EO0RB
UT WOS:000396404500033
ER
PT J
AU King, MP
Wu, X
Eller, M
Samavedam, S
Shaneyfelt, MR
Silva, AI
Draper, BL
Rice, WC
Meisenheimer, TL
Felix, JA
Zhang, EX
Haeffner, TD
Ball, DR
Shetler, KJ
Alles, ML
Kauppila, JS
Massengill, LW
AF King, M. P.
Wu, X.
Eller, M.
Samavedam, S.
Shaneyfelt, M. R.
Silva, A. I.
Draper, B. L.
Rice, W. C.
Meisenheimer, T. L.
Felix, J. A.
Zhang, E. X.
Haeffner, T. D.
Ball, D. R.
Shetler, K. J.
Alles, M. L.
Kauppila, J. S.
Massengill, L. W.
TI Analysis of TID Process, Geometry, and Bias Condition Dependence in
14-nm FinFETs and Implications for RF and SRAM Performance
SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE
LA English
DT Article; Proceedings Paper
CT 53rd IEEE Nuclear and Space Radiation Effects Conference (NSREC)
CY JUL 11-15, 2016
CL Portland, OR
SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm
DE FinFET; leakage current; threshold voltage shift; total ionizing dose
ID SHALLOW-TRENCH ISOLATION; ISOLATION OXIDES; MOS DEVICES; RADIATION;
TECHNOLOGIES; TRANSISTORS; DEGRADATION; IMPACT; YIELD
AB Total ionizing dose results are provided, showing the effects of different threshold adjust implant processes and irradiation bias conditions of 14-nm FinFETs. Minimal radiation-induced threshold voltage shift across a variety of transistor types is observed. Off-state leakage current of nMOSFET transistors exhibits a strong gate bias dependence, indicating electrostatic gate control of the sub-fin region and the corresponding parasitic conduction path are the largest concern for radiation hardness in FinFET technology. The high-V-th transistors exhibit the best irradiation performance across all bias conditions, showing a reasonably small change in off-state leakage current and V-th, while the low-V-th transistors exhibit a larger change in off-state leakage current. The "worst-case" bias condition during irradiation for both pull-down and pass-gate nMOSFETs in static random access memory is determined to be the on-state (V-gs = V-dd). We find the nMOSFET pull-down and pass-gate transistors of the SRAM bit-cell show less radiation-induced degradation due to transistor geometry and channel doping differences than the low-V-th transistor. Near-threshold operation is presented as a methodology for reducing radiation-induced increases in off-state device leakage current. In a 14-nm FinFET technology, the modeling indicates devices with high channel stop doping show the most robust response to TID allowing stable operation of ring oscillators and the SRAM bit-cell with minimal shift in critical operating characteristics.
C1 [King, M. P.; Shaneyfelt, M. R.; Silva, A. I.; Draper, B. L.; Rice, W. C.; Meisenheimer, T. L.; Felix, J. A.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Wu, X.; Eller, M.; Samavedam, S.] GlobalFoundries, Malta, NY 12020 USA.
[Zhang, E. X.; Haeffner, T. D.; Ball, D. R.; Shetler, K. J.; Alles, M. L.; Kauppila, J. S.; Massengill, L. W.] Vanderbilt Univ, 221 Kirkland Hall, Nashville, TN 37235 USA.
RP King, MP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM mpking@sandia.gov; kevin.wu@globalfoundries.com;
lloyd.massengill@vanderbilt.edu
FU Sandia's Laboratory-Directed Research and Development program; U.S.
Department of Energy's National Nuclear Security Administration
[DE-AC0494AL85000]; Defense Threat Reduction Agency (DTRA)
[HDTRA1-13-C-0063]
FX The work at Sandia National Laboratories was supported by Sandia's
Laboratory-Directed Research and Development program. SNL is a
multi-program laboratory managed and operated by Sandia Corporation, a
wholly owned subsidiary of Lockheed Martin Corporation, for the U.S.
Department of Energy's National Nuclear Security Administration under
contract DE-AC0494AL85000. The work at Vanderbilt University was
supported in part by the Defense Threat Reduction Agency (DTRA) under
contract HDTRA1-13-C-0063.
NR 25
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U1 4
U2 4
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0018-9499
EI 1558-1578
J9 IEEE T NUCL SCI
JI IEEE Trans. Nucl. Sci.
PD JAN
PY 2017
VL 64
IS 1
BP 285
EP 292
DI 10.1109/TNS.2016.2634538
PN 1
PG 8
WC Engineering, Electrical & Electronic; Nuclear Science & Technology
SC Engineering; Nuclear Science & Technology
GA EO0RB
UT WOS:000396404500042
ER
PT J
AU George, JS
Clymer, DA
Turflinger, TL
Mason, LW
Stone, S
Koga, R
Beach, E
Huntington, K
Lauenstein, JM
Titus, J
Sivertz, M
AF George, J. S.
Clymer, D. A.
Turflinger, T. L.
Mason, L. W.
Stone, S.
Koga, R.
Beach, E.
Huntington, K.
Lauenstein, J. -M.
Titus, J.
Sivertz, M.
TI Response Variability in Commercial MOSFET SEE Qualification
SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE
LA English
DT Article; Proceedings Paper
CT 53rd IEEE Nuclear and Space Radiation Effects Conference (NSREC)
CY JUL 11-15, 2016
CL Portland, OR
SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm
DE Failure distribution; MOSFET; single-event burnout; trench
ID POWER MOSFETS; BURNOUT; IRRADIATION; DEGRADATION; HARDNESS; PROTON;
SPACE
AB Single-event effects (SEE) evaluation of five different part types of next generation, commercial trench MOSFETs indicates large part-to-part variation in determining a safe operating area (SOA) for drain-source voltage (VDS) following a test campaign that exposed >50 samples per part type to heavy ions. These results suggest a determination of a SOA using small sample sizes may fail to capture the full extent of the part-to-part variability. An example method is discussed for establishing a Safe Operating Area using a one-sided statistical tolerance limit based on the number of test samples. Burn-in is shown to be a critical factor in reducing part-to-part variation in part response. Implications for radiation qualification requirements are also explored.
C1 [George, J. S.; Turflinger, T. L.; Koga, R.] Aerosp Corp, El Segundo, CA 90245 USA.
[Clymer, D. A.; Mason, L. W.; Stone, S.; Beach, E.; Huntington, K.] Lockheed Martin Corp, Littleton, CO 80125 USA.
[Lauenstein, J. -M.] NASA GSFC, Greenbelt, MD 20771 USA.
[Titus, J.] NAVSEA Crane, Crane, IN 47522 USA.
[Sivertz, M.] Brookhaven Natl Lab, NASA Space Radiat Lab, Upton, NY 11973 USA.
RP George, JS (reprint author), Aerosp Corp, El Segundo, CA 90245 USA.
EM Jeffrey.S.George@aero.org
NR 22
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U1 0
U2 0
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0018-9499
EI 1558-1578
J9 IEEE T NUCL SCI
JI IEEE Trans. Nucl. Sci.
PD JAN
PY 2017
VL 64
IS 1
BP 317
EP 324
DI 10.1109/TNS.2016.2633358
PN 1
PG 8
WC Engineering, Electrical & Electronic; Nuclear Science & Technology
SC Engineering; Nuclear Science & Technology
GA EO0RB
UT WOS:000396404500046
ER
PT J
AU Quinn, H
Baker, Z
Fairbanks, T
Tripp, JL
Duran, G
AF Quinn, Heather
Baker, Zachary
Fairbanks, Tom
Tripp, Justin L.
Duran, George
TI Robust Duplication With Comparison Methods in Microcontrollers
SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE
LA English
DT Article; Proceedings Paper
CT 53rd IEEE Nuclear and Space Radiation Effects Conference (NSREC)
CY JUL 11-15, 2016
CL Portland, OR
SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm
DE Soft errors; software; software fault diagnosis; software fault
tolerance
ID FAULT-TOLERANCE; SOFTWARE; RESILIENCE
AB Commercial microprocessors could be useful computational platforms in space systems, as long as the risk is bound. Many spacecraft are computationally constrained because all of the computation is done on a single radiation-hardened microprocessor. It is possible that a commercial microprocessor could be used for configuration, monitoring and background tasks that are not mission critical. Most commercial microprocessors are affected by radiation, including single-event effects (SEEs) that could be destructive to the component or corrupt the data. Part screening can help designers avoid components with destructive failure modes, and mitigation can suppress data corruption. We have been experimenting with a method for masking radiation-induced faults through the software executing on the microprocessor. While triple-modular redundancy (TMR) techniques are very effective at masking faults in software, the increased amount of execution time to complete the computation is not desirable. In this paper we present a technique for combining duplication with compare (DWC) with TMR that decreases observable errors by as much as 145 times with only a 2.35 time decrease in performance.
C1 [Quinn, Heather; Baker, Zachary; Fairbanks, Tom; Tripp, Justin L.; Duran, George] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Quinn, H (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM hquinn@lanl.gov
NR 18
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U1 0
U2 0
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0018-9499
EI 1558-1578
J9 IEEE T NUCL SCI
JI IEEE Trans. Nucl. Sci.
PD JAN
PY 2017
VL 64
IS 1
BP 338
EP 345
DI 10.1109/TNS.2016.2634781
PN 1
PG 8
WC Engineering, Electrical & Electronic; Nuclear Science & Technology
SC Engineering; Nuclear Science & Technology
GA EO0RB
UT WOS:000396404500049
ER
PT J
AU Tonigan, AM
Parma, EJ
Martin, WJ
AF Tonigan, Andrew M.
Parma, Edward J.
Martin, William J.
TI The Development of a High Sensitivity Neutron Displacement Damage Sensor
SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE
LA English
DT Article; Proceedings Paper
CT 53rd IEEE Nuclear and Space Radiation Effects Conference (NSREC)
CY JUL 11-15, 2016
CL Portland, OR
SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm
DE Bipolar devices; displacement damage; neutron radiation effects;
radiation monitoring
ID BIPOLAR JUNCTION TRANSISTORS; SILICON; IRRADIATION; DEVICES
AB The capability to characterize the neutron energy spectrum and fluence received by a test object is crucial to understanding the damage effects observed in electronic components. For nuclear research reactors and high energy density physics facilities this can pose exceptional challenges, especially with low level neutron fluences. An ASTM test method for characterizing neutron environments utilizes the 2N2222A transistor as a 1-MeV equivalent neutron fluence sensor and is applicable for environments with 1 x 10(12) - 1 x 10(14) 1-MeV(Si)-Eqv.-n/cm(2). In this work we seek to extend the range of this test method to lower fluence environments utilizing the 2N1486 transistor. The 2N1486 is shown to be an effective neutron displacement damage sensor as low as 1 x 10(10) 1-MeV(Si)-Eqv.-n/cm(2).
C1 [Tonigan, Andrew M.; Parma, Edward J.; Martin, William J.] Sandia Natl Labs, Albuquerque, NM 87123 USA.
[Tonigan, Andrew M.] Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37212 USA.
RP Tonigan, AM (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA.
EM andrew.m.tonigan@vanderbilt.edu
FU Sandia National Laboratories; U.S. Department of Energy's National
Nuclear Security Administration [DEAC04-94AL85000]
FX This work was supported by Sandia National Laboratories. Sandia is a
multiprogram laboratory operated by Sandia Corporation, a
Lockheed-Martin Company, for the U.S. Department of Energy's National
Nuclear Security Administration under contract DEAC04-94AL85000.
NR 19
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Z9 0
U1 0
U2 0
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0018-9499
EI 1558-1578
J9 IEEE T NUCL SCI
JI IEEE Trans. Nucl. Sci.
PD JAN
PY 2017
VL 64
IS 1
BP 346
EP 352
DI 10.1109/TNS.2016.2632525
PN 1
PG 7
WC Engineering, Electrical & Electronic; Nuclear Science & Technology
SC Engineering; Nuclear Science & Technology
GA EO0RB
UT WOS:000396404500050
ER
PT J
AU Gerardin, S
Bagatin, M
Paccagnella, A
Visconti, A
Bonanomi, M
Calabrese, M
Chiavarone, L
Ferlet-Cavrois, V
Schwank, JR
Shaneyfelt, MR
Dodds, N
Trinczek, M
Blackmore, E
AF Gerardin, S.
Bagatin, M.
Paccagnella, A.
Visconti, A.
Bonanomi, M.
Calabrese, M.
Chiavarone, L.
Ferlet-Cavrois, V.
Schwank, J. R.
Shaneyfelt, M. R.
Dodds, N.
Trinczek, M.
Blackmore, E.
TI Upsets in Erased Floating Gate Cells With High-Energy Protons
SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE
LA English
DT Article; Proceedings Paper
CT 53rd IEEE Nuclear and Space Radiation Effects Conference (NSREC)
CY JUL 11-15, 2016
CL Portland, OR
SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm
DE Flash memories; high-energy protons; non-volatile memories; single event
upsets
ID NAND FLASH MEMORIES; CHARACTERIZING RADIATION; ERRORS
AB We discuss upsets in erased floating gate cells, due to large threshold voltage shifts, using statistical distributions collected on a large number of memory cells. The spread in the neutral threshold voltage appears to be too low to quantitatively explain the experimental observations in terms of simple charge loss, at least in SLC devices. The possibility that memories exposed to high energy protons and heavy ions exhibit negative charge transfer between programmed and erased cells is investigated, although the analysis does not provide conclusive support to this hypothesis.
C1 [Gerardin, S.; Bagatin, M.; Paccagnella, A.] Univ Padua, Dept Informat Engn, I-35131 Padua, Italy.
[Gerardin, S.; Paccagnella, A.] Ist Nazl Fis Nucl, I-35131 Padua, Italy.
[Visconti, A.; Bonanomi, M.; Calabrese, M.; Chiavarone, L.] Micron Technol, Micron Proc R&D, Vimercate, Italy.
[Ferlet-Cavrois, V.] ESA ESTEC, TEC QEC, Noordwijk, Netherlands.
[Schwank, J. R.; Shaneyfelt, M. R.; Dodds, N.] Sandia Natl Labs, Albuquerque, NM 87123 USA.
[Trinczek, M.; Blackmore, E.] TRIUMF, Vancouver, BC V6T 2A3, Canada.
RP Gerardin, S (reprint author), Univ Padua, Dept Informat Engn, I-35131 Padua, Italy.
EM simone.gerardin@dei.unipd.it
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX Sandia National Laboratories is a multi-program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration under contract DE-AC04-94AL85000.
NR 18
TC 0
Z9 0
U1 0
U2 0
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0018-9499
EI 1558-1578
J9 IEEE T NUCL SCI
JI IEEE Trans. Nucl. Sci.
PD JAN
PY 2017
VL 64
IS 1
BP 421
EP 426
DI 10.1109/TNS.2016.2636830
PN 1
PG 6
WC Engineering, Electrical & Electronic; Nuclear Science & Technology
SC Engineering; Nuclear Science & Technology
GA EO0RB
UT WOS:000396404500060
ER
PT J
AU Griffin, PJ
Cooper, PJ
AF Griffin, Patrick J.
Cooper, Philip J.
TI Influence of the Damage Partition Function on the Uncertainty of the
Silicon Displacement Damage Metric
SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE
LA English
DT Article; Proceedings Paper
CT 53rd IEEE Nuclear and Space Radiation Effects Conference (NSREC)
CY JUL 11-15, 2016
CL Portland, OR
SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm
DE 1-MeV(Si); displacement damage; neutron damage; neutron kerma; partition
function; potential; silicon; uncertainty
ID COMPUTER-SIMULATION; NUCLEAR-DATA; NIEL; SEMICONDUCTORS; PROPAGATION;
COVARIANCES; CASCADES; IONS
AB The effect of uncertainty in the energy partition function on the silicon displacement damage metric is presented. Through the use of a Total Monte Carlo approach, the effect of uncertainty in the underlying electronic and nuclear ion interaction potentials, which are used to define the damage partition function, is propagated into an uncertainty in the silicon damage metric. This uncertainty is expressed as an energy-dependent covariance matrix which permits this uncertainty component to be combined with other uncertainty components, e. g. uncertainty due to the knowledge of the nuclear interaction data or to the treatment of the damage in the threshold displacement region. This approach provides a rigorous treatment of uncertainty due to the damage metric which can then be propagated in uncertainty estimates for various applications, e. g. when examining damage equivalence between different neutron sources. A strong energy-dependent correlation is found in this uncertainty component.
C1 [Griffin, Patrick J.] Sandia Natl Labs, Radiat & Elect Sci Ctr, POB 5800, Albuquerque, NM 87185 USA.
[Cooper, Philip J.] Sandia Natl Labs, Appl Nucl Technol Dept, POB 5800, Albuquerque, NM 87185 USA.
RP Griffin, PJ (reprint author), Sandia Natl Labs, Radiat & Elect Sci Ctr, POB 5800, Albuquerque, NM 87185 USA.
EM pjgriff@sandia.gov; pjcooper919@msn.com
FU U.S. Department of Energy [DE-AC04-94AL85000]
FX Sandia is a multi-mission laboratory operated by Sandia Corporation, a
Lockheed Martin Company, for the U.S. Department of Energy under
contract DE-AC04-94AL85000.
NR 25
TC 0
Z9 0
U1 0
U2 0
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0018-9499
EI 1558-1578
J9 IEEE T NUCL SCI
JI IEEE Trans. Nucl. Sci.
PD JAN
PY 2017
VL 64
IS 1
BP 574
EP 581
DI 10.1109/TNS.2016.2608336
PN 1
PG 8
WC Engineering, Electrical & Electronic; Nuclear Science & Technology
SC Engineering; Nuclear Science & Technology
GA EO0RB
UT WOS:000396404500081
ER
PT J
AU Liu, CZ
Lin, ZH
AF Liu, Changzheng
Lin, Zhenhong
TI How uncertain is the future of electric vehicle market: Results from
Monte Carlo simulations using a nested logit model
SO INTERNATIONAL JOURNAL OF SUSTAINABLE TRANSPORTATION
LA English
DT Article
DE Charging infrastructure; consumer choice; electric vehicles; energy
transition; market penetration; Monte Carlo simulation
ID ALTERNATIVE-FUEL VEHICLES; CHARGING INFRASTRUCTURE; PREFERENCES
AB Plug-in electric vehicles (PEVs) are widely regarded as an important component of the technology portfolio designed to accomplish policy goals in sustainability and energy security. However, the market acceptance of PEVs in the future remains largely uncertain from today's perspective. By integrating a consumer choice model based on nested multinomial logit and Monte Carlo simulation, this study analyzes the uncertainty of PEV market penetration using Monte Carlo simulation. Results suggest that the future market for PEVs is highly uncertain and there is a substantial risk of low penetration in the early and midterm market. Top factors contributing to market share variability are price sensitivities, energy cost, range limitation, and charging availability. The results also illustrate the potential effect of public policies in promoting PEVs through investment in battery technology and infrastructure deployment. Continued improvement of battery technologies and deployment of charging infrastructure alone do not necessarily reduce the spread of market share distributions, but may shift distributions toward right, i.e., increase the probability of having great market success.
C1 [Liu, Changzheng; Lin, Zhenhong] Natl Transportat Res Ctr, Oak Ridge Natl Lab, 2360 Cherahala Blvd, Knoxville, TN 37932 USA.
RP Liu, CZ (reprint author), Natl Transportat Res Ctr, Oak Ridge Natl Lab, 2360 Cherahala Blvd, Knoxville, TN 37932 USA.
EM liuc2@ornl.gov
FU U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy, Vehicle Technologies Office; U.S. Department of Energy
[DE-AC05-00OR22725]; Department of Energy
FX This research is sponsored by the U.S. Department of Energy, Office of
Energy Efficiency and Renewable Energy, Vehicle Technologies Office.
This manuscript has been authored by UT-Battelle, LLC under Contract No.
DE-AC05-00OR22725 with the U.S. Department of Energy. 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. The Department of Energy will provide
public access to these results of federally sponsored research in
accordance with the DOE Public Access Plan
(http://energy.gov/downloads/doe-public-access-plan).
NR 31
TC 0
Z9 0
U1 2
U2 2
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 1556-8318
EI 1556-8334
J9 INT J SUSTAIN TRANSP
JI Int. J. Sustain. Transp.
PY 2017
VL 11
IS 4
BP 237
EP 247
DI 10.1080/15568318.2016.1248583
PG 11
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Environmental Studies;
Transportation
SC Science & Technology - Other Topics; Environmental Sciences & Ecology;
Transportation
GA EK3CK
UT WOS:000393803400001
ER
PT J
AU Ahn, CH
Dilmore, R
Wang, JYL
AF Ahn, Chong Hyun
Dilmore, Robert
Wang, John Yilin
TI Modeling of Hydraulic Fracture Propagation in Shale Gas Reservoirs: A
Three-Dimensional, Two-Phase Model
SO JOURNAL OF ENERGY RESOURCES TECHNOLOGY-TRANSACTIONS OF THE ASME
LA English
DT Article
DE 3D hydraulic fracture propagation modeling
ID NUMERICAL-SIMULATION
AB A three-dimensional, two-phase, dual-continuum hydraulic fracture (HF) propagation simulator was developed and implemented. This paper presents a detailed method for efficient and effective modeling of the fluid flow within fracture and matrix as well as fluid leakoff, fracture height growth, and the fracture network propagation. Both a method for solving the system of coupled equations, and a verification of the developed model are presented herein.
C1 [Ahn, Chong Hyun; Wang, John Yilin] Penn State Univ, Lab Petr Res 3S, Dept Energy & Mineral Engn, Petr & Nat Gas Engn, 202 Hosler Bldg, University Pk, PA 16802 USA.
[Ahn, Chong Hyun; Wang, John Yilin] Penn State Univ, Lab Petr Res 3S, EMS Energy Inst, 202 Hosler Bldg, University Pk, PA 16802 USA.
[Dilmore, Robert] US DOE, Natl Energy Technol Lab, 626 Cochrans Mill Rd,POB 10940, Pittsburgh, PA 15236 USA.
RP Ahn, CH (reprint author), Penn State Univ, Lab Petr Res 3S, Dept Energy & Mineral Engn, Petr & Nat Gas Engn, 202 Hosler Bldg, University Pk, PA 16802 USA.; Ahn, CH (reprint author), Penn State Univ, Lab Petr Res 3S, EMS Energy Inst, 202 Hosler Bldg, University Pk, PA 16802 USA.
EM cza5010@psu.edu; robert.dilmore@netl.doe.gov; john.wang@psu.edu
FU National Energy Technology Laboratory [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 collaboration with researchers
from National Energy Technology Laboratory under the RES Contract No.
DE-FE0004000.; 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.
NR 53
TC 0
Z9 0
U1 3
U2 3
PU ASME
PI NEW YORK
PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA
SN 0195-0738
J9 J ENERG RESOUR-ASME
JI J. Energy Resour. Technol.-Trans. ASME
PD JAN
PY 2017
VL 139
IS 1
AR 012903
DI 10.1115/1.4033856
PG 13
WC Energy & Fuels
SC Energy & Fuels
GA EK4FG
UT WOS:000393881900018
ER
PT J
AU Moiz, AA
Cung, KD
Lee, SY
AF Moiz, Ahmed Abdul
Cung, Khanh D.
Lee, Seong-Young
TI Simultaneous Schlieren-PLIF Studies for Ignition and Soot Luminosity
Visualization With Close-Coupled High-Pressure Double Injections of
n-Dodecane
SO JOURNAL OF ENERGY RESOURCES TECHNOLOGY-TRANSACTIONS OF THE ASME
LA English
DT Article
ID MULTIPLE-INJECTION; FORMALDEHYDE PLIF; COMBUSTION
AB Studies are performed in a constant volume preburn type combustion vessel over a range of ambient temperatures (750 K, 800 K, and 900 K) at constant density (22.8 kg/m(3)) with 15% O-2 by volume in the ambient at 1200 bar (n-dodecane) fuel injection pressure. The influence of the pilot (first) spray flame on the ignition and combustion characteristics of the main (second) injection is investigated while varying injection pressure, dwell time, and injection strategy. Simultaneous schlieren (with soot luminosity imaging) and 355 nm planar laser-induced fluorescence (PLIF) imaging for formaldehyde (CH2O) and polycyclic aromatic hydrocarbons (PAH) visualization was performed. At both 900K and 800 K ambient, main injection exhibits a reduction in ignition delay (ID) by a factor of 2 over their respective pilots. For the ambient temperature condition of 750 K, reducing injection pressure from 1500 bar to 1200 bar causes a significant increase in ignition delay (by similar to 0.8 ms), which was attributed to the influence of injection pressure on spray-mixing and early development of cool flame. Also, at 750 K ambient condition, multiple injection schedule having two 0.5 ms injections separated by a 0.5 ms dwell was found to have a shorter ignition delay than a single 0.5 ms injection. Studies carried at an 800K ambient show that by increasing the dwell time, main interaction with pilot reactive intermediates can be controlled to avoid an early rich ignition of the main spray and to reduce soot precursors.
C1 [Moiz, Ahmed Abdul] Michigan Technol Univ, MEEM, RL Smith Bldg,1400 Townsend Dr, Houghton, MI 49931 USA.
[Cung, Khanh D.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Lee, Seong-Young] Michigan Technol Univ, MEEM, 917 RL Smith Bldg,1400 Townsend Dr, Houghton, MI 49931 USA.
RP Moiz, AA (reprint author), Michigan Technol Univ, MEEM, RL Smith Bldg,1400 Townsend Dr, Houghton, MI 49931 USA.
EM amoiz@mtu.edu; kcung@anl.gov; sylee@mtu.edu
FU NSF/DOE [NSF-1258720]; U.S. Department of Energy Office of Science
laboratory [DE-AC02-06CH11357]; DOE's Office of Vehicle Technologies,
Office of Energy Efficiency and Renewable Energy [DE-AC02-06CH11357]
FX This work is partially supported by NSF/DOE program (NSF-1258720) under
NSF program manager Dr. Ruey-Hung Chen and DOE program manager Mr.
Gurpreet Singh. 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. The research was funded by DOE's Office of Vehicle
Technologies, Office of Energy Efficiency and Renewable Energy under
Contract No. DE-AC02-06CH11357. The authors would like to thank Dr.
Scott Skeen (Sandia National Lab) for the fruitful discussions as part
of the ECN program.
NR 34
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U1 0
U2 0
PU ASME
PI NEW YORK
PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA
SN 0195-0738
J9 J ENERG RESOUR-ASME
JI J. Energy Resour. Technol.-Trans. ASME
PD JAN
PY 2017
VL 139
IS 1
AR 012207
DI 10.1115/1.4035071
PG 12
WC Energy & Fuels
SC Energy & Fuels
GA EK4FG
UT WOS:000393881900015
ER
PT J
AU Rice, MS
Gupta, S
Treiman, AH
Stack, KM
Calef, F
Edgar, LA
Grotzinger, J
Lanza, N
Le Deit, L
Lasue, J
Siebach, KL
Vasavada, A
Wiens, RC
Williams, J
AF Rice, Melissa S.
Gupta, Sanjeev
Treiman, Allan H.
Stack, Kathryn M.
Calef, Fred
Edgar, Lauren A.
Grotzinger, John
Lanza, Nina
Le Deit, Laetitia
Lasue, Jeremie
Siebach, Kirsten L.
Vasavada, Ashwin
Wiens, Roger C.
Williams, Joshua
TI Geologic overview of the Mars Science Laboratory rover mission at the
Kimberley, Gale crater, Mars
SO JOURNAL OF GEOPHYSICAL RESEARCH-PLANETS
LA English
DT Article
DE Mars Science Laboratory; Gale crater; sediment provenance; diagenesis;
fluvio-deltaic processes; landscape evolution
ID PEACE VALLIS FAN; IN-SITU; CONSTRAINTS; MINERALOGY; ROCKS; EVOLUTION;
ORIGIN; SPECTROSCOPY; SANDSTONE; DEPOSITS
AB The Mars Science Laboratory (MSL) Curiosity rover completed a detailed investigation at the Kimberley waypoint within Gale crater from sols 571-634 using its full science instrument payload. From orbital images examined early in the Curiosity mission, the Kimberley region had been identified as a high-priority science target based on its clear stratigraphic relationships in a layered sedimentary sequence that had been exposed by differential erosion. Observations of the stratigraphic sequence at the Kimberley made by Curiosity are consistent with deposition in a prograding, fluvio-deltaic system during the late Noachian to early Hesperian, prior to the existence of most of Mount Sharp. Geochemical and mineralogic analyses suggest that sediment deposition likely took place under cold conditions with relatively low water-to-rock ratios. Based on elevated K2O abundances throughout the Kimberley formation, an alkali feldspar protolith is likely one of several igneous sources from which the sediments were derived. After deposition, the rocks underwent multiple episodes of diagenetic alteration with different aqueous chemistries and redox conditions, as evidenced by the presence of Ca-sulfate veins, Mn-oxide fracture fills, and erosion-resistant nodules. More recently, the Kimberley has been subject to significant aeolian abrasion and removal of sediments to create modern topography that slopes away from Mount Sharp, a process that has continued to the present day.
C1 [Rice, Melissa S.; Williams, Joshua] Western Washington Univ, Dept Geol, Bellingham, WA 98225 USA.
[Gupta, Sanjeev] Imperial Coll London, Dept Earth Sci & Engn, London, England.
[Treiman, Allan H.] Lunar & Planetary Inst, 3303 NASA Rd 1, Houston, TX 77058 USA.
[Stack, Kathryn M.; Calef, Fred; Vasavada, Ashwin] CALTECH, Jet Prop Lab, Pasadena, CA USA.
[Edgar, Lauren A.] US Geol Survey, Astrogeol Sci Ctr, Flagstaff, AZ 86001 USA.
[Grotzinger, John] CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA.
[Lanza, Nina; Wiens, Roger C.] Los Alamos Natl Lab, Space Remote Sensing, Los Alamos, NM USA.
[Le Deit, Laetitia] Univ Nantes, Lab Planetol & Geodynam, Nantes, France.
[Lasue, Jeremie] CNRS, Inst Rech Astrophys & Planetol, Observ Midi Pyrenees, Toulouse, France.
[Siebach, Kirsten L.] SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA.
RP Rice, MS (reprint author), Western Washington Univ, Dept Geol, Bellingham, WA 98225 USA.
EM melissa.rice@wwu.edu
FU NASA Astrobiology Institute (NAI) Postdoctoral Program; MSL
Participating Scientist Program; United Kingdom Space Agency (UKSA);
French Space Agency (CNES)
FX We acknowledge the exceptional skills and diligent efforts made by the
MSL project's science, engineering, and management teams in making this
work possible. We are also grateful to the many MSL team members who
participated in tactical and strategic operations during the Kimberley
campaign. We thank Ryan Anderson and two anonymous reviewers, whose
comments have improved the manuscript. Rice was supported by the NASA
Astrobiology Institute (NAI) Postdoctoral Program and the MSL
Participating Scientist Program. Gupta was supported by grants from the
United Kingdom Space Agency (UKSA). Le Deit and Lasue acknowledge the
support of the French Space Agency (CNES). Data presented in this paper
are archived in the Planetary Data System (pds.nasa.gov).
NR 64
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U1 1
U2 1
PU AMER GEOPHYSICAL UNION
PI WASHINGTON
PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA
SN 2169-9097
EI 2169-9100
J9 J GEOPHYS RES-PLANET
JI J. Geophys. Res.-Planets
PD JAN
PY 2017
VL 122
IS 1
BP 2
EP 20
DI 10.1002/2016JE005200
PG 19
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA EM1QA
UT WOS:000395090900001
ER
PT J
AU Nisr, C
Meng, Y
MacDowell, AA
Yan, J
Prakapenka, V
Shim, SH
AF Nisr, C.
Meng, Y.
MacDowell, A. A.
Yan, J.
Prakapenka, V.
Shim, S. -H.
TI Thermal expansion of SiC at high pressure-temperature and implications
for thermal convection in the deep interiors of carbide exoplanets
SO JOURNAL OF GEOPHYSICAL RESEARCH-PLANETS
LA English
DT Article
DE silicon carbide; thermal expansion; buoyancy
ID EQUATION-OF-STATE; X-RAY-DIFFRACTION; MGSIO3 PEROVSKITE; THERMOELASTIC
PROPERTIES; PHASE-TRANSITION; LOWER MANTLE; STELLAR ABUNDANCES;
SINGLE-CRYSTAL; CARBON; CONSTRAINTS
AB Recent astrophysical observations have shown that some stars have sufficiently high carbon-to-oxygen ratios and may host planets composed mainly of carbides instead of silicates and oxides. From the low thermal expansion of SiC at 1bar, it can be inferred that the buoyancy force of thermal anomalies is much lower in the carbide planets than in the silicate planets. However, numerous studies have shown that high pressure in planetary interiors can fundamentally change the physical properties of materials. We have measured the pressure-volume-temperature relations of two SiC polymorphs (3C and 6H) at pressures and temperatures up to 80GPa and 1900K and 65GPa and 1920K, respectively, in the laser-heated diamond anvil cell combined with synchrotron X-ray diffraction. We found no evidence of dissociations of these phases up to our maximum pressure condition, supporting the stability of SiC to 1900km depth in Earth-size Si-rich carbide planets. Following the Mie-Gruneisen approach, we fit our data to the Birch-Murnaghan or the Vinet equations of state combined with the Debye approach. We found that the pressure-induced change in the thermal expansion parameter of SiC is much smaller than that of Mg silicate perovskite (bridgmanite). Our new measurements suggest that the thermal buoyancy force may be stronger in the deep interiors of Si-rich carbide exoplanets than in the Earth-like silicate planets.
C1 [Nisr, C.; Shim, S. -H.] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 85281 USA.
[Meng, Y.] Carnegie Inst Sci, High Pressure Collaborat Access Team HPCAT, Geophys Lab, Argonne, IL USA.
[MacDowell, A. A.; Yan, J.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA USA.
[Prakapenka, V.] Univ Chicago, GSECARS, Chicago, IL 60637 USA.
RP Shim, SH (reprint author), Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 85281 USA.
EM SHDShim@asu.edu
FU NASA's Science Mission Directorate; NSF [EAR1321976, EAR-1128799]; DOE
[DE-FG02-94ER14466]; DOE-NNSA [DE-NA0001974]; DOE-BES
[DE-FG02-99ER45775]; U.S. DOE Office of Science [DE-AC02-06CH11357,
DE-AC02-05CH11231]; COMPRES [NSFEAR-11-57758]; GSECARS [NSFEAR-1128799,
DOEDE-FG02-94ER14466]
FX The results reported herein benefitted from collaborations and/or
information exchange within NASA's Nexus for Exoplanet System Science
(NExSS) research coordination network sponsored by NASA's Science
Mission Directorate. We thank two anonymous reviewers and the Editor for
the helpful discussions. C. Nisr is also supported by NSF (EAR1321976).
Portions of this work were performed at GSECARS (University of Chicago,
Sector 13) and HPCAT (Sector 16), APS, ANL, and beamline 12.2.2., ALS,
LBNL. GSECARS is supported by the NSF (EAR-1128799) and DOE
(DE-FG02-94ER14466). HPCAT is supported by DOE-NNSA (DE-NA0001974) and
DOE-BES (DE-FG02-99ER45775). APS and ALS are U.S. DOE Office of Science
User Facilities operated for the DOE Office of Science by ANL and LBNL
(DE-AC02-06CH11357 and DE-AC02-05CH11231), respectively. Use of the
COMPRES-GSECARS gas loading system was supported by COMPRES
(NSFEAR-11-57758) and by GSECARS (NSFEAR-1128799; DOEDE-FG02-94ER14466).
Data supporting the figures and conclusions are available within the
paper and the Supporting Information. Please contact C. Nisr,
carole.nisr@gmail.com or S.-H. Shim, SHDShim@asu.edu regarding access to
the raw data.
NR 62
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U1 1
U2 1
PU AMER GEOPHYSICAL UNION
PI WASHINGTON
PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA
SN 2169-9097
EI 2169-9100
J9 J GEOPHYS RES-PLANET
JI J. Geophys. Res.-Planets
PD JAN
PY 2017
VL 122
IS 1
BP 124
EP 133
DI 10.1002/2016JE005158
PG 10
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA EM1QA
UT WOS:000395090900007
ER
PT J
AU Lieou, CKC
Daub, EG
Guyer, RA
Ecke, RE
Marone, C
Johnson, PA
AF Lieou, Charles K. C.
Daub, Eric G.
Guyer, Robert A.
Ecke, Robert E.
Marone, Chris
Johnson, Paul A.
TI Simulating stick-slip failure in a sheared granular layer using a
physics-based constitutive model
SO JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH
LA English
DT Article
DE rate-and-state; friction; stick slip; gouge; constitutive law; failure
ID FRICTION; DEFORMATION; EARTHQUAKES; PRECURSORS; VIBRATION
AB We model laboratory earthquakes in a biaxial shear apparatus using the Shear-Transformation-Zone (STZ) theory of dense granular flow. The theory is based on the observation that slip events in a granular layer are attributed to grain rearrangement at soft spots called STZs, which can be characterized according to principles of statistical physics. We model lab data on granular shear using STZ theory and document direct connections between the STZ approach and rate-and-state friction. We discuss the stability transition from stable shear to stick-slip failure and show that stick slip is predicted by STZ when the applied shear load exceeds a threshold value that is modulated by elastic stiffness and frictional rheology. We also show that STZ theory mimics fault zone dilation during the stick phase, consistent with lab observations.
C1 [Lieou, Charles K. C.; Guyer, Robert A.; Johnson, Paul A.] Los Alamos Natl Lab, Solid Earth Geophys Grp, Los Alamos, NM 87544 USA.
[Lieou, Charles K. C.; Ecke, Robert E.; Johnson, Paul A.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87544 USA.
[Daub, Eric G.] Univ Memphis, Ctr Earthquake Res & Informat, Memphis, TN 38152 USA.
[Guyer, Robert A.] Univ Nevada, Dept Phys, Reno, NV 89557 USA.
[Ecke, Robert E.] Los Alamos Natl Lab, Condensed Matter & Magnet Sci Grp, Los Alamos, NM USA.
[Marone, Chris] Penn State Univ, Dept Geosci, University Pk, PA 16802 USA.
RP Lieou, CKC (reprint author), Los Alamos Natl Lab, Solid Earth Geophys Grp, Los Alamos, NM 87544 USA.; Lieou, CKC (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87544 USA.
EM clieou@lanl.gov
FU US DOE Office of Science, Geosciences Division; Center for Nonlinear
Studies at the Los Alamos National Laboratory; LDRD
FX We gratefully acknowledge the support of the US DOE Office of Science,
Geosciences Division. C.L. was also partially supported by the Center
for Nonlinear Studies at the Los Alamos National Laboratory, with funds
from Institutional Support (LDRD). The LANL release number of this
article is LA-UR-16-26676. The data used in this paper can be obtained
by contacting the corresponding author.
NR 25
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U1 1
U2 1
PU AMER GEOPHYSICAL UNION
PI WASHINGTON
PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA
SN 2169-9313
EI 2169-9356
J9 J GEOPHYS RES-SOL EA
JI J. Geophys. Res.-Solid Earth
PD JAN
PY 2017
VL 122
IS 1
BP 295
EP 307
DI 10.1002/2016JB013627
PG 13
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA EM9VH
UT WOS:000395658900017
ER
PT J
AU Sahu, A
Russ, B
Su, NC
Forster, JD
Zhou, P
Cho, ES
Ercius, P
Coates, NE
Segalman, RA
Urban, JJ
AF Sahu, Ayaskanta
Russ, Boris
Su, Norman C.
Forster, Jason D.
Zhou, Preston
Cho, Eun Seon
Ercius, Peter
Coates, Nelson E.
Segalman, Rachel A.
Urban, Jeffrey J.
TI Bottom-up design of de novo thermoelectric hybrid materials using
chalcogenide resurfacing
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID ORGANIC-INORGANIC NANOCOMPOSITES; CONJUGATED POLYMERS; COLLOIDAL
NANOCRYSTALS; SILICON NANOWIRES; BUILDING-BLOCKS; QUANTUM RODS;
SOLAR-CELLS; PERFORMANCE; EFFICIENCY; POLY(3,4-ETHYLENEDIOXYTHIOPHENE)
AB Hybrid organic/inorganic thermoelectric materials based on conducting polymers and inorganic nanostructures have been demonstrated to combine both the inherently low thermal conductivity of the polymer and the superior charge transport properties (high power factors) of the inorganic component. While their performance today still lags behind that of conventional inorganic thermoelectric materials, solution-processable hybrids have made rapid progress and also offer unique advantages not available to conventional rigid inorganic thermoelectrics, namely: (1) low cost fabrication on rigid and flexible substrates, as well as (2) engineering complex conformal geometries for energy harvesting/cooling. While the number of reports of new classes of viable hybrid thermoelectric materials is growing, no group has reported a general approach for bottom-up design of both p-and n-type materials from one common base. Thus, unfortunately, the literature comprises mostly of disconnected discoveries, which limits development and calls for a first-principles approach for property manipulation analogous to doping in traditional semiconductor thermoelectrics. Here, molecular engineering at the organic/ inorganic interface and simple processing techniques are combined to demonstrate a modular approach enabling de novo design of complex hybrid thermoelectric systems. We chemically modify the surfaces of inorganic nanostructures and graft conductive polymers to yield robust solution processable p-and n-type inorganic/organic hybrid nanostructures. Our new modular approach not only offers researchers new tools to perform true bottom-up design of thermoelectric hybrids, but also strong performance advantages as well due to the quality of the designed interfaces. For example, we obtain enhanced power factors in existing (by up to 500% in Te/PEDOT: PSS) and novel (Bi2S3/PEDOT: PSS) p-type systems, and also generate water-processable and air-stable high performing n-type hybrid systems (Bi2Te3/PEDOT: PSS), thus highlighting the potency of our ex situ strategy in opening up new material options for thermoelectric applications. This strategy establishes a unique platform with broad handles for custom tailoring of thermal and electrical properties through hybrid material tunability and enables independent control over inorganic material chemistry, nanostructure geometry, and organic material properties, thus providing a robust pathway to major performance enhancements.
C1 [Sahu, Ayaskanta; Russ, Boris; Su, Norman C.; Forster, Jason D.; Zhou, Preston; Cho, Eun Seon; Urban, Jeffrey J.] Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Russ, Boris; Su, Norman C.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Ercius, Peter] Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA.
[Coates, Nelson E.] Calif Maritime Acad, Vallejo, CA 94720 USA.
[Segalman, Rachel A.] Univ Calif Santa Barbara, Dept Chem Engn, Santa Barbara, CA 93106 USA.
[Segalman, Rachel A.] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA.
RP Urban, JJ (reprint author), Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
EM jjurban@lbl.gov
FU Department of Energy BES-LBL Thermoelectrics Program; Office of Science,
Office of Basic Energy Sciences, Scientific User Facilities Division, of
the U.S. Department of Energy [DE-AC02-05CH11231]; Department of
Defense; AFOSR; Department of Energy [DE-FG07ER46426]; Bay Area
Photovoltaic Consortium (BAPVC)
FX We gratefully acknowledge support through the Department of Energy
BES-LBL Thermoelectrics Program. This work was partially performed at
the Molecular Foundry, Lawrence Berkeley National Laboratory, and was
supported by the Office of Science, Office of Basic Energy Sciences,
Scientific User Facilities Division, of the U.S. Department of Energy
under Contract No. DE-AC02-05CH11231. B. R. and N. S. gratefully
acknowledge the Department of Defense, AFOSR, for fellowship support
under the National Defense Science and Engineering Graduate Fellowship
(DOD-NDSEG). E. S. C. acknowledges support from the Department of Energy
Grant no. DE-FG07ER46426, by the Bay Area Photovoltaic Consortium
(BAPVC), funded under the Sunshot Initiative of DOE.
NR 71
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Z9 0
U1 7
U2 7
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 2017
VL 5
IS 7
BP 3346
EP 3357
DI 10.1039/c6ta09781b
PG 12
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EM1KX
UT WOS:000395077600033
ER
PT J
AU Sampson, MD
Park, JS
Schaller, RD
Chan, MKY
Martinson, ABF
AF Sampson, M. D.
Park, J. S.
Schaller, R. D.
Chan, M. K. Y.
Martinson, A. B. F.
TI Transition metal-substituted lead halide perovskite absorbers
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID HYBRID SOLAR-CELLS; PHOTOVOLTAIC APPLICATIONS; RECOMBINATION LIFETIME;
OPTICAL-PROPERTIES; SINGLE-CRYSTALS; TIN; STABILITY; DEVICES;
CRYSTALLIZATION; GENERATION
AB Lead halide perovskites have proven to be a versatile class of visible light absorbers that allow rapid access to the long minority carrier lifetimes and diffusion lengths desirable for traditional single-junction photovoltaics. We explore the extent to which the attractive features of these semiconductors may be extended to include an intermediate density of states for future application in multi-level solar energy conversion systems capable of exceeding the Shockley-Queisser limit. We computationally and experimentally explore the substitution of transition metals on the Pb site of MAPbX(3) (MA = methylammonium, X = Br or Cl) to achieve a tunable density of states within the parent gap. Computational screening identified both Fe-and Co-substituted MAPbBr(3) as promising absorbers with a mid-gap density of states, and the later films were synthesized via conventional solution-based processing techniques. First-principles density functional theory (DFT) calculations support the existence of mid-gap states upon Co incorporation and enhanced sub-gap absorption, which are consistent with UV-visible-NIR absorption spectroscopy. Strikingly, steady state and time-resolved PL studies reveal no sign of self-quenching for Co-substitution up to 25%, which suggest this class of materials to be a worthy candidate for future application in intermediate band photovoltaics.
C1 [Sampson, M. D.; Martinson, A. B. F.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Park, J. S.; Schaller, R. D.; Chan, M. K. Y.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Martinson, ABF (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.; Chan, MKY (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM mchan@anl.gov; martinson@anl.gov
FU U.S. Department of Energy Office of Science Laboratory by UChicago
Argonne, LLC. [DE-AC02-06CH11357]; U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Office of
Science of the U.S. Department of Energy [DE-AC02-05CH11231]
FX The research was performed 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. Use of the
Center of Nanoscale Materials, an Office of Science user facility, was
supported by the U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences, under contract no. DE-AC02-06CH11357. This
research used resources of the National Energy Research Scientific
Computing Center, a DOE Office of Science User Facility supported by the
Office of Science of the U.S. Department of Energy under Contract No.
DE-AC02-05CH11231. We gratefully acknowledge the computing resources
provided on Blues and Fusion, high-performance computing clusters
operated by the Laboratory Computing Resource Center at Argonne National
Laboratory.
NR 66
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U1 8
U2 8
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 2017
VL 5
IS 7
BP 3578
EP 3588
DI 10.1039/c6ta09745f
PG 11
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EM1KX
UT WOS:000395077600056
ER
PT J
AU Ortiz, BR
Gorai, P
Krishna, L
Mow, R
Lopez, A
McKinney, R
Stevanovic, V
Toberer, ES
AF Ortiz, Brenden R.
Gorai, Prashun
Krishna, Lakshmi
Mow, Rachel
Lopez, Armando
McKinney, Robert
Stevanovic, Vladan
Toberer, Eric S.
TI Potential for high thermoelectric performance in n-type Zintl compounds:
a case study of Ba doped KAlSb4
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID STABILITY
AB High-throughput calculations (first-principles density functional theory and semi-empirical transport models) have the potential to guide the discovery of new thermoelectric materials. Herein we have computationally assessed the potential for thermoelectric performance of 145 complex Zintl pnictides. Of the 145 Zintl compounds assessed, 17% show promising n-type transport properties, compared with only 6% showing promising p-type transport. We predict that n-type Zintl compounds should exhibit high mobility mu(n) while maintaining the low thermal conductivity k(L) typical of Zintl phases. Thus, not only do candidate n-type Zintls outnumber their p-type counterparts, but they may also exhibit improved thermoelectric performance. From the computational search, we have selected n-type KAlSb4 as a promising thermoelectric material. Synthesis and characterization of polycrystalline KAlSb4 reveals non-degenerate n-type transport. With Ba substitution, the carrier concentration is tuned between 1018 and 1019 e(-) cm(-3) with a maximum Ba solubility of 0.7% on the K site. High temperature transport measurements confirm a high mu n (50 cm(2) V-1 s(-1)) coupled with a near minimum k(L) (0.5 W m(-1) K-1) at 370 degrees C. Together, these properties yield a zT of 0.7 at 370 degrees C for the composition K0.99Ba0.01AlSb4. Based on the theoretical predictions and subsequent experimental validation, we find significant motivation for the exploration of n-type thermoelectric performance in other Zintl pnictides.
C1 [Ortiz, Brenden R.; Gorai, Prashun; Krishna, Lakshmi; Lopez, Armando; McKinney, Robert; Stevanovic, Vladan; Toberer, Eric S.] Colorado Sch Mines, Golden, CO 80401 USA.
[Gorai, Prashun; Stevanovic, Vladan; Toberer, Eric S.] Natl Renewable Energy Lab, Golden, CO USA.
[Mow, Rachel] Harvey Mudd Coll, Claremont, CA 91711 USA.
RP Ortiz, BR (reprint author), Colorado Sch Mines, Golden, CO 80401 USA.
EM bortiz@mines.edu
FU National Science Foundation [NSF DMR-1334713]; Research Experience for
Undergraduates (REU) program through the National Science Foundation
[NSF DMR-1461275]
FX We acknowledge support from the National Science Foundation under the
NSF DMR-1334713. The use of high performance computing resources of
NREL's Computational Science Center is gratefully acknowledged. Rachel
Mow was supported under a Research Experience for Undergraduates (REU)
program through the National Science Foundation, award NSF DMR-1461275,
REU Site: Research Experiences for Undergraduates in Renewable Energy.
NR 43
TC 0
Z9 0
U1 1
U2 1
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 2017
VL 5
IS 8
BP 4036
EP 4046
DI 10.1039/c6ta09532a
PG 11
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA EM4VA
UT WOS:000395309800031
ER
PT J
AU Demas, NG
Erck, RA
Lorenzo-Martin, C
Ajayi, OO
Fenske, GR
AF Demas, Nicholaos G.
Erck, Robert A.
Lorenzo-Martin, Cinta
Ajayi, Oyelayo O.
Fenske, George R.
TI Experimental Evaluation of Oxide Nanoparticles as Friction and Wear
Improvement Additives in Motor Oil
SO JOURNAL OF NANOMATERIALS
LA English
DT Article
ID TRIBOLOGICAL PROPERTIES; LUBRICANT ADDITIVES; PERFORMANCE; ZDDP
AB The effect of two nanoparticle oxides on friction and wear was studied under laboratory test conditions using a reciprocating test machine and two test configurations. The addition of these nanoparticles in base stock oil under certain conditions reduced the coefficient of friction and improved wear, but that depended on the test configuration. Examination of the rubbed surfaces showed the pronounced formation of a tribofilm in some cases, while polishing on the surface was also observed in other cases. Contact configuration is important when oxide nanoparticles are being evaluated and the conclusions about their efficacy can be vastly different.
C1 [Demas, Nicholaos G.; Erck, Robert A.; Lorenzo-Martin, Cinta; Ajayi, Oyelayo O.; Fenske, George R.] Argonne Natl Lab, ES 212,9700 South Cass Ave, Argonne, IL 60439 USA.
RP Demas, NG (reprint author), Argonne Natl Lab, ES 212,9700 South Cass Ave, Argonne, IL 60439 USA.
EM ndemas@anl.gov
FU US Department of Energy, Energy Efficiency and Renewable Energy, Office
of Vehicle Technologies [DE-AC02-06CH11357]
FX This work was supported by US Department of Energy, Energy Efficiency
and Renewable Energy, Office of Vehicle Technologies, under Contract
DE-AC02-06CH11357. The scanning electron microscopy was performed at the
Electron Microscopy Center for Materials Research at Argonne National
Laboratory, a US Department of Energy Office of Science Laboratory
operated by UChicago Argonne, LLC. The authors would like to acknowledge
Eduardo Tomanik at Mahle Metal Leve SA for providing the piston ring and
cylinder liner samples used in this work and Steven Kalberg for his help
with the tribological testing.
NR 13
TC 0
Z9 0
U1 3
U2 3
PU HINDAWI LTD
PI LONDON
PA ADAM HOUSE, 3RD FLR, 1 FITZROY SQ, LONDON, WIT 5HE, ENGLAND
SN 1687-4110
EI 1687-4129
J9 J NANOMATER
JI J. Nanomater.
PY 2017
AR 8425782
DI 10.1155/2017/8425782
PG 12
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
SC Science & Technology - Other Topics; Materials Science
GA EL9RJ
UT WOS:000394957400001
ER
PT J
AU Song, Y
Xie, X
Luo, JJ
Liaw, PK
Qi, HR
Gao, YF
AF Song, Yang
Xie, Xie
Luo, Jiajia
Liaw, Peter K.
Qi, Hairong
Gao, Yanfei
TI Seeing the unseen: uncover the bulk heterogeneous deformation processes
in metallic glasses through surface temperature decoding
SO MATERIALS TODAY
LA English
DT Article
ID AMORPHOUS-ALLOYS; SHEAR BANDS; EVOLUTION; STRAIN
AB Deformation processes in various materials are inhomogeneous in space and jerky in time, with the shear banding in bulk metallic glasses (BMGs) as a quintessential example, but there is a lack of in situ, nondestructive observations of such processes on the appropriate spatio-temporal scales. This work solves this long-lasting difficulty by the integration of in situ infrared (IR) measurements and innovative signal processing algorithms. A spatio-temporal unmixing method is developed to identify the discrete surface 'hot-spots' that are responsible for the initiation and propagation of macroscopic shear bands during the serrated flow. The use of a thermal-electric analogy further identifies depths of these hot-spots, whose magnitudes and locations evolve as the successive shearing process repeats on the major shear band. Seeing the previously 'unseen' localized heat sources and their 3D evolution patterns, both in situ and inside the bulk, reveals for the first time how the coupled structural/thermal softening mechanisms govern the heterogeneous deformation processes in BMGs.
C1 [Song, Yang; Luo, Jiajia; Qi, Hairong] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37831 USA.
[Xie, Xie; Liaw, Peter K.; Gao, Yanfei] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Gao, Yanfei] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
RP Qi, HR (reprint author), Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37831 USA.; Liaw, PK; Gao, YF (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.; Gao, YF (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
EM pliaw@utk.edu; hqi@utk.edu; ygao7@utk.edu
FU NSF [IIS 1239478, CMMI 1300223, CMMI 1100080]; DOE, Office of Fossil
Energy [DE-FE-0011194]; U.S. Army Research Office project
[W911NF-13-1-0438]
FX The authors acknowledge the financial supports from NSF IIS 1239478 (YS
and HQ) and NSF CMMI 1300223 (YG). PKL acknowledges the Department of
Energy (DOE), Office of Fossil Energy, National Energy Technology
Laboratory (DE-FE-0008855 and DE-FE-0024054), with Mr. V. Cedro and Mr.
R. Dunst as program managers, and NSF CMMI 1100080 with the program
director, Dr. C. Cooper. XX and PKL appreciate the support from the DOE,
Office of Fossil Energy (DE-FE-0011194) with the program manager, Dr. J.
Mullen, and from the U.S. Army Research Office project
(W911NF-13-1-0438) with the program manager, Dr. D.M. Stepp.
NR 19
TC 0
Z9 0
U1 0
U2 0
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 1369-7021
EI 1873-4103
J9 MATER TODAY
JI Mater. Today
PD JAN-FEB
PY 2017
VL 20
IS 1
BP 9
EP 15
DI 10.1016/j.mattod.2016.12.002
PG 7
WC Materials Science, Multidisciplinary
SC Materials Science
GA EN9XB
UT WOS:000396351800013
ER
PT J
AU Montgomery, BL
AF Montgomery, Beronda L.
TI Successful STEM mentoring initiatives for underrepresented students: A
research-based guide for faculty and administrators
SO MENTORING & TUTORING
LA English
DT Book Review
ID COLLEGE-STUDENTS; SENSE; COLOR
C1 [Montgomery, Beronda L.] Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA.
RP Montgomery, BL (reprint author), Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA.
EM montg133@msu.edu
NR 14
TC 0
Z9 0
U1 0
U2 0
PU ROUTLEDGE JOURNALS, TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 1361-1267
EI 1469-9745
J9 MENTOR TUTOR
JI Mentor. Tutor.
PY 2017
VL 24
IS 5
BP 471
EP 476
DI 10.1080/13611267.2016.1270901
PG 6
WC Education & Educational Research
SC Education & Educational Research
GA EM5IM
UT WOS:000395345200009
ER
PT J
AU van der Lelie, D
Taghavi, S
Henry, C
Gilbert, JA
AF van der Lelie, Daniel
Taghavi, Safiyh
Henry, Christopher
Gilbert, Jack A.
TI The microbiome as a source of new enterprises and job creation:
Considering clinical faecal and synthetic microbiometransplants and
therapeutic regulation
SO MICROBIAL BIOTECHNOLOGY
LA English
DT Editorial Material
ID INDUCTION
C1 [van der Lelie, Daniel; Taghavi, Safiyh; Henry, Christopher; Gilbert, Jack A.] Gusto Global LLC, 5960 Fairview Rd,Suite 400, Charlotte, NC 28210 USA.
[Henry, Christopher] Argonne Natl Lab, Math & Comp Sci, 9700 S Cass Ave, Lemont, IL 60439 USA.
[Henry, Christopher] Univ Chicago, Computat Inst, Chicago, IL 60637 USA.
[Gilbert, Jack A.] Argonne Natl Lab, Microbiome Ctr, Biosci Div, 9700 S Cass Ave, Lemont, IL 60439 USA.
[Gilbert, Jack A.] Univ Chicago, Dept Surg, Microbiome Ctr, 5841 S Maryland Ave, Chicago, IL 60637 USA.
RP van der Lelie, D (reprint author), Gusto Global LLC, 5960 Fairview Rd,Suite 400, Charlotte, NC 28210 USA.
NR 6
TC 0
Z9 0
U1 0
U2 0
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1751-7907
EI 1751-7915
J9 MICROB BIOTECHNOL
JI Microb. Biotechnol.
PD JAN
PY 2017
VL 10
IS 1
BP 4
EP 5
DI 10.1111/1751-7915.12597
PG 2
WC Biotechnology & Applied Microbiology; Microbiology
SC Biotechnology & Applied Microbiology; Microbiology
GA EK4DV
UT WOS:000393878200002
PM 28052560
ER
PT J
AU Gilbert, JA
AF Gilbert, Jack A.
TI How do we make indoor environments and healthcare settings healthier?
SO MICROBIAL BIOTECHNOLOGY
LA English
DT Editorial Material
ID MICROBIOME
AB It is now well accepted that our modern lifestyle has certain implications for our health (Schaub etal., ), mainly as a result of our willingness to remove ourselves from the biological diversity of our natural environments (Roduit etal., ), while still being drawn inextricably to interact with it (Kellert and Wilson, ). Much of our interaction with the biological world is shaped by our interaction with the microbiological world. The bacteria, fungi, viruses, archaea and protists that comprise the microbiome of this planet, are also key to the development and normal functioning of our bodies. Our immune system is built to shepherd our microbial exposure, ensuring that microbial organisms that we need are kept close (but not too close), and that less-desirable organisms are expelled or killed before they can do too much damage. By moving from a life interacting with nature on a regular basis, to a life in which we isolate ourselves physically from natural microbial exposure, we may have instigated one of the great plagues of the 21st century; chronic immune disorders.
C1 [Gilbert, Jack A.] Univ Chicago, Dept Surg, Microbiome Ctr, 5841 S Maryland Ave, Chicago, IL 60637 USA.
[Gilbert, Jack A.] Argonne Natl Lab, Div Biosci, Lemont, IL 60439 USA.
[Gilbert, Jack A.] Marine Biol Lab, Woods Hole, MA 02543 USA.
RP Gilbert, JA (reprint author), Univ Chicago, Dept Surg, Microbiome Ctr, 5841 S Maryland Ave, Chicago, IL 60637 USA.; Gilbert, JA (reprint author), Argonne Natl Lab, Div Biosci, Lemont, IL 60439 USA.; Gilbert, JA (reprint author), Marine Biol Lab, Woods Hole, MA 02543 USA.
EM gilbertjack@uchicago.edu
FU Alfred P Sloan Foundation
FX This manuscript was prepared in part with funding from the Alfred P
Sloan Foundation.
NR 9
TC 1
Z9 1
U1 1
U2 1
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1751-7907
EI 1751-7915
J9 MICROB BIOTECHNOL
JI Microb. Biotechnol.
PD JAN
PY 2017
VL 10
IS 1
BP 11
EP 13
DI 10.1111/1751-7915.12430
PG 3
WC Biotechnology & Applied Microbiology; Microbiology
SC Biotechnology & Applied Microbiology; Microbiology
GA EK4DV
UT WOS:000393878200006
PM 27748568
ER
PT J
AU McMillan, JD
Beckham, GT
AF McMillan, James D.
Beckham, Gregg T.
TI Thinking big: towards ideal strains and processes for large-scale
aerobic biofuels production
SO MICROBIAL BIOTECHNOLOGY
LA English
DT Editorial Material
C1 [McMillan, James D.; Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA.
RP Beckham, GT (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM jim.mcmillan@nrel.gov; gregg.beckham@nrel.gov
FU US Department of Energy Bioenergy Technologies Office
FX We thank the US Department of Energy Bioenergy Technologies Office for
funding and many colleagues at NREL including Mary Biddy, Ryan Davis,
Nancy Dowe, Richard Elander, David Humbird, Jeffrey Linger, Violeta
Sanchez i Nogue, and Ling Tao as well as Jeff Lievense at Genomatica and
Hans van Dijken and Sef Heijnen of the Technical University of Delft,
the Netherlands, for inspiring discussions around this topic.
NR 7
TC 0
Z9 0
U1 0
U2 0
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1751-7907
EI 1751-7915
J9 MICROB BIOTECHNOL
JI Microb. Biotechnol.
PD JAN
PY 2017
VL 10
IS 1
BP 40
EP 42
DI 10.1111/1751-7915.12471
PG 3
WC Biotechnology & Applied Microbiology; Microbiology
SC Biotechnology & Applied Microbiology; Microbiology
GA EK4DV
UT WOS:000393878200016
PM 28004888
ER
PT J
AU Ross, AJ
Beutler, F
Chuang, CH
Pellejero-Ibanez, M
Seo, HJ
Vargas-Magana, M
Cuesta, AJ
Percival, WJ
Burden, A
Sanchez, AG
Grieb, JN
Reid, B
Brownstein, JR
Dawson, KS
Eisenstein, DJ
Ho, S
Kitaura, FS
Nichol, RC
Olmstead, MD
Prada, F
Rodriguez-Torres, SA
Saito, S
Salazar-Albornoz, S
Schneider, DP
Thomas, D
Tinker, J
Tojeiro, R
Wang, YT
White, M
Zhao, GB
AF Ross, Ashley J.
Beutler, Florian
Chuang, Chia-Hsun
Pellejero-Ibanez, Marcos
Seo, Hee-Jong
Vargas-Magana, Mariana
Cuesta, Antonio J.
Percival, Will J.
Burden, Angela
Sanchez, Ariel G.
Grieb, Jan Niklas
Reid, Beth
Brownstein, Joel R.
Dawson, Kyle S.
Eisenstein, Daniel J.
Ho, Shirley
Kitaura, Francisco-Shu
Nichol, Robert C.
Olmstead, Matthew D.
Prada, Francisco
Rodriguez-Torres, Sergio A.
Saito, Shun
Salazar-Albornoz, Salvador
Schneider, Donald P.
Thomas, Daniel
Tinker, Jeremy
Tojeiro, Rita
Wang, Yuting
White, Martin
Zhao, Gong-bo
TI The clustering of galaxies in the completed SDSS-III Baryon Oscillation
Spectroscopic Survey: observational systematics and baryon acoustic
oscillations in the correlation function
SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
LA English
DT Article
DE cosmology: observations; large-scale structure of Universe
ID DIGITAL SKY SURVEY; MEASURING D-A; DATA RELEASE; GROWTH-RATE;
COSMOLOGICAL PARAMETERS; FULL SHAPE; FINAL DATA; SAMPLE; RECONSTRUCTION;
DISTANCE
AB We present baryon acoustic oscillation (BAO) scale measurements determined from the clustering of 1.2 million massive galaxies with redshifts 0.2 < z < 0.75 distributed over 9300 deg(2), as quantified by their redshift-space correlation function. In order to facilitate these measurements, we define, describe, and motivate the selection function for galaxies in the final data release (DR12) of the SDSS III Baryon Oscillation Spectroscopic Survey (BOSS). This includes the observational footprint, masks for image quality and Galactic extinction, and weights to account for density relationships intrinsic to the imaging and spectroscopic portions of the survey. We simulate the observed systematic trends in mock galaxy samples and demonstrate that they impart no bias on BAO scale measurements and have a minor impact on the recovered statistical uncertainty. We measure transverse and radial BAO distance measurements in 0.2 < z < 0.5, 0.5 < z < 0.75, and (overlapping) 0.4 < z < 0.6 redshift bins. In each redshift bin, we obtain a precision that is 2.7 per cent or better on the radial distance and 1.6 per cent or better on the transverse distance. The combination of the redshift bins represents 1.8 per cent precision on the radial distance and 1.1 per cent precision on the transverse distance. This paper is part of a set that analyses the final galaxy clustering data set from BOSS. The measurements and likelihoods presented here are combined with others in Alam et al. to produce the final cosmological constraints from BOSS.
C1 [Ross, Ashley J.] Ohio State Univ, Ctr Cosmol & AstroParticle Phys, Columbus, OH 43210 USA.
[Ross, Ashley J.; Beutler, Florian; Percival, Will J.; Burden, Angela; Nichol, Robert C.; Thomas, Daniel; Wang, Yuting; Zhao, Gong-bo] Univ Portsmouth, Inst Cosmol & Gravitat, Dennis Sciama Bldg, Portsmouth PO1 3FX, Hants, England.
[Beutler, Florian; Reid, Beth; Ho, Shirley; White, Martin] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Chuang, Chia-Hsun; Prada, Francisco; Rodriguez-Torres, Sergio A.] Univ Autonoma Madrid, CSIC, Inst Fis Teor, Cantoblanco, E-28049 Madrid, Spain.
[Chuang, Chia-Hsun; Kitaura, Francisco-Shu] Leibniz Inst Astrophys Potsdam AIP, Sternwarte 16, D-14482 Potsdam, Germany.
[Pellejero-Ibanez, Marcos] IAC, C Via Lactea S-N, E-38205 Tenerife, Spain.
[Pellejero-Ibanez, Marcos] Univ La Laguna, Dept Astrofis, E-38206 Tenerife, Spain.
[Seo, Hee-Jong] Ohio Univ, Dept Phys & Astron, 251B Clippinger Labs, Athens, OH 45701 USA.
[Vargas-Magana, Mariana] Univ Nacl Autonoma Mexico, Inst Fis, Apdo Postal 20-364, Mexico City 04510, DF, Mexico.
[Cuesta, Antonio J.] Univ Barcelona, Inst Ciencies Cosmos ICCUB, IEEC UB, Marti i Franques 1, E-08028 Barcelona, Spain.
[Burden, Angela] Yale Univ, Dept Phys, 260 Whitney Ave, New Haven, CT 06520 USA.
[Sanchez, Ariel G.; Grieb, Jan Niklas; Salazar-Albornoz, Salvador] Max Planck Inst Extraterr Phys, Postfach 1312,Giessenbachstr, D-85741 Garching, Germany.
[Grieb, Jan Niklas; Salazar-Albornoz, Salvador] Ludwig Maximilians Univ Munchen, Univ Sternwarte Munchen, Scheinerstr 1, D-81679 Munich, Germany.
[Brownstein, Joel R.; Dawson, Kyle S.] Univ Utah, Dept Phys & Astron, 115 S 1400 E, Salt Lake City, UT 84112 USA.
[Eisenstein, Daniel J.] Harvard Smithsonian Ctr Astrophys, 60 Garden St, Cambridge, MA 02138 USA.
[Ho, Shirley] Carnegie Mellon Univ, Dept Phys, McWilliams Ctr Cosmol, 5000 Forbes Ave, Pittsburgh, PA 15213 USA.
[Ho, Shirley; White, Martin] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Olmstead, Matthew D.] Kings Coll, Dept Chem & Phys, 133 North River St, Wilkes Barre, PA 18711 USA.
[Prada, Francisco; Rodriguez-Torres, Sergio A.] UAM CSIC, Campus Int Excellence, E-28049 Madrid, Spain.
[Prada, Francisco] CSIC, Inst Astrofis Andalucia, E-18080 Granada, Spain.
[Rodriguez-Torres, Sergio A.] Univ Autonoma Madrid, Inst Fis Teor M8, Cantoblanco, E-28049 Madrid, Spain.
[Saito, Shun] Max Planck Inst Astrophys, Karl Schwarzschild Starsse 1, D-85740 Garching, Germany.
[Saito, Shun] Univ Tokyo, Inst Adv Study, Kavli Inst Phys & Math Universe WPI, Kashiwa, Chiba 2778583, 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] NYU, Ctr Cosmol & Particle Phys, Dept Phys, 4 Washington Pl, New York, NY 10003 USA.
[Tojeiro, Rita] Univ St Andrews, Sch Phys & Astron, St Andrews KY16 9SS, Fife, Scotland.
[Wang, Yuting; Zhao, Gong-bo] Chinese Acad Sci, Natl Astron Observ, Beijing 100012, Peoples R China.
[White, Martin] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA.
RP Ross, AJ (reprint author), Ohio State Univ, Ctr Cosmol & AstroParticle Phys, Columbus, OH 43210 USA.; Ross, AJ (reprint author), Univ Portsmouth, Inst Cosmol & Gravitat, Dennis Sciama Bldg, Portsmouth PO1 3FX, Hants, England.
EM ashley.jacob.ross@gmail.com
RI White, Martin/I-3880-2015
OI White, Martin/0000-0001-9912-5070
FU Ohio State University Center for Cosmology and Particle Physics; Spanish
MICINNs Consolider-Ingenio Programme [MultiDark CSD2009-00064]; MINECO
Centro de Excelencia Severo Ochoa Programme [SEV-2012-0249,
AYA2014-60641-C2-1-P]; MINECO [AYA2012-39702-C02-01]; US Department of
Energy, Office of Science, Office of High Energy Physics [DE-SC0014329];
Programa de Apoyo a Proyectos de Investigacion e Innovacion Tecnologica
(PAPITT) [IA102516]; Proyecto Conacyt Fronteras [281]; 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 Pittsburgh; 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 Wisconsin; Yale University
FX AJR is grateful for support from the Ohio State University Center for
Cosmology and Particle Physics. Nearly all heavy computer processing
made use of the facilities and staff of the UK Sciama High Performance
Computing cluster supported by the ICG, SEPNet and the University of
Portsmouth. Colours made possible by
http://matplotlib.org/examples/color/named_colors.html; figures made
colourblind-friendly (hopefully) by use of Colour Oracle software. CC
acknowledges support as a MultiDark Fellow and from the Spanish MICINNs
Consolider-Ingenio 2010 Programme under grant MultiDark CSD2009-00064,
MINECO Centro de Excelencia Severo Ochoa Programme under grant
SEV-2012-0249, and grant AYA2014-60641-C2-1-P. MPI acknowledges support
from MINECO under the grant AYA2012-39702-C02-01. HS's work is supported
by the US Department of Energy, Office of Science, Office of High Energy
Physics under Award Number DE-SC0014329. MV is partially supported by
Programa de Apoyo a Proyectos de Investigacion e Innovacion Tecnologica
(PAPITT) no. IA102516 and Proyecto Conacyt Fronteras no. 281. 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, 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 Pittsburgh, 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 Wisconsin and Yale University.
NR 81
TC 0
Z9 0
U1 0
U2 0
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0035-8711
EI 1365-2966
J9 MON NOT R ASTRON SOC
JI Mon. Not. Roy. Astron. Soc.
PD JAN
PY 2017
VL 464
IS 1
BP 1168
EP 1191
DI 10.1093/mnras/stw2372
PG 24
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA EK0VX
UT WOS:000393646300089
ER
PT J
AU Lin, YC
Kim, D
Li, Z
Nguyen, BM
Li, N
Zhang, SX
Yoo, J
AF Lin, Yung-Chen
Kim, Dongheun
Li, Zhen
Binh-Minh Nguyen
Li, Nan
Zhang, Shixiong
Yoo, Jinkyoung
TI Strain-induced structural defects and their effects on the
electrochemical performances of silicon core/germanium shell nanowire
heterostructures
SO NANOSCALE
LA English
DT Article
ID CORE/SHELL NANOWIRES; RELAXATION; ELECTRODES; ANODE; TRANSISTORS;
LITHIATION; DIFFUSION; FRACTURE; KINETICS; GROWTH
AB We report on strain-induced structural defect formation in core Si nanowires of a Si/Ge core/shell nanowire heterostructure and the influence of the structural defects on the electrochemical performances in lithium-ion battery anodes based on Si/Ge core/shell nanowire heterostructures. The induced structural defects consisting of stacking faults and dislocations in the core Si nanowire were observed for the first time. The generation of stacking faults in the Si/Ge core/shell nanowire heterostructure is observed to prefer settling in either only the Ge shell region or in both the Ge shell and Si core regions and is associated with the increase of the shell volume fraction. The relaxation of the misfit strain in the [112] oriented core/shell nanowire heterostructure leads to subsequent gliding of Shockley partial dislocations, preferentially forming the twins. The observation of crossover of defect formation is of great importance for understanding heteroepitaxy in radial heterostructures at the nanoscale and for building three dimensional heterostructures for the various applications. Furthermore, the effect of the defect formation on the nanomaterial's functionality is investigated using electrochemical performance tests. The Si/Ge core/ shell nanowire heterostructures enhance the gravimetric capacity of lithium ion battery anodes under fast charging/discharging rates compared to Si nanowires. However, the induced structural defects hamper lithiation of the Si/Ge core/shell nanowire heterostructure.
C1 [Lin, Yung-Chen; Kim, Dongheun; Binh-Minh Nguyen; Li, Nan; Yoo, Jinkyoung] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
[Li, Zhen; Zhang, Shixiong] Indiana Univ, Dept Phys, Bloomington, IN 47405 USA.
RP Yoo, J (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
EM jyoo@lanl.gov
FU CINT, a 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]
FX This work was performed in part at CINT, 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). We would like to thank Yoonkook Son for
the GITT analysis, Nathan A. Mara and Shadi A. Dayeh for the
discussions, and Robert M. Dickerson for technical support of TEM.
NR 48
TC 0
Z9 0
U1 15
U2 15
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 2017
VL 9
IS 3
BP 1213
EP 1220
DI 10.1039/c6nr07681e
PG 8
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EL7DK
UT WOS:000394781100026
PM 28050613
ER
PT J
AU Fu, SF
Zhu, CZ
Song, JH
Zhang, PN
Engelhard, MH
Xia, HB
Du, D
Lin, YH
AF Fu, Shaofang
Zhu, Chengzhou
Song, Junhua
Zhang, Peina
Engelhard, Mark H.
Xia, Haibing
Du, Dan
Lin, Yuehe
TI Low Pt-content ternary PdCuPt nanodendrites: an efficient
electrocatalyst for oxygen reduction reaction
SO NANOSCALE
LA English
DT Article
ID FORMIC-ACID OXIDATION; ENHANCED ACTIVITY; BIMETALLIC NANODENDRITES;
NANOPARTICLES; SHELL; CORE; NANOSTRUCTURES; STABILITY; CATALYSTS;
NANOCRYSTALS
AB Dendritic nanostructures are capturing increasing attention in electrocatalysis owing to their unique structural features and low density. Herein, we report for the first time, bromide ion mediated synthesis of low Pt-content PdCuPt ternary nanodendrites via galvanic replacement reaction between a Pt precursor and a PdCu template in aqueous solution. The experimental results show that the ternary PdCuPt nanodendrites present enhanced electrocatalytic performance for oxygen reduction reaction in acid solution compared with commercial Pt/C as well as some state-of-the-art catalysts. In detail, the mass activity of the PdCuPt catalyst with optimized composition is 1.73 A mg(Pt)(-1) at 0.85 V vs. RHE, which is 14 times higher than that of a commercial Pt/C catalyst. Moreover, the long-term stability test demonstrates its better durability in acid solution. After 5k cycles, there is still 70% electrochemical surface area maintained. This method provides an efficient method to synthesize trimetallic alloys with controllable composition and specific structure for oxygen reduction reaction.
C1 [Fu, Shaofang; Zhu, Chengzhou; Song, Junhua; Du, Dan; Lin, Yuehe] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.
[Zhang, Peina; Xia, Haibing] Shandong Univ, State Key Lab Crystal Mat, Jinan, Peoples R China.
[Engelhard, Mark H.; Lin, Yuehe] Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
RP Lin, YH (reprint author), Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.; Lin, YH (reprint author), Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
EM yuehe.lin@wsu.edu
RI Xia, Haibing/A-8711-2008; FU, SHAOFANG/D-2328-2016
OI Xia, Haibing/0000-0003-2262-7958; FU, SHAOFANG/0000-0002-7871-6573
FU Washington State University, USA; Department of Energy's Office of
Biological and Environmental Research; DOE [DE-AC05-76RL01830]
FX This work was supported by a start-up fund of Washington State
University, USA. The XPS analysis 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 the Pacific
Northwest National Laboratory (PNNL). We acknowledge the Franceschi
Microscopy & Image Center at Washington State University for TEM
measurements. PNNL is a multi-program national laboratory operated for
DOE by Battelle under contract DE-AC05-76RL01830.
NR 40
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U1 11
U2 11
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 2017
VL 9
IS 3
BP 1279
EP 1284
DI 10.1039/c6nr06646a
PG 6
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EL7DK
UT WOS:000394781100034
PM 28054683
ER
PT J
AU Roth, PC
Canon, RS
AF Roth, Philip C.
Canon, R. Shane
TI Special Issue on Data-Intensive Scalable Computing Systems
SO PARALLEL COMPUTING
LA English
DT Editorial Material
C1 [Roth, Philip C.] Oak Ridge Natl Lab, Res & Dev Staff, Oak Ridge, TN 37830 USA.
[Canon, R. Shane] Lawrence Berkeley Natl Lab, NERSC, Berkeley, CA USA.
RP Roth, PC (reprint author), Oak Ridge Natl Lab, Res & Dev Staff, Oak Ridge, TN 37830 USA.
EM rothpc@ornl.gov; scanon@lbl.gov
NR 0
TC 0
Z9 0
U1 1
U2 1
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0167-8191
EI 1872-7336
J9 PARALLEL COMPUT
JI Parallel Comput.
PD JAN
PY 2017
VL 61
SI SI
BP 1
EP 2
DI 10.1016/j.parco.2017.01.001
PG 2
WC Computer Science, Theory & Methods
SC Computer Science
GA EK6UQ
UT WOS:000394061700001
ER
PT J
AU Xie, W
Chen, Y
Roth, PC
AF Xie, Wei
Chen, Yong
Roth, Philip C.
TI ASA-FTL: An adaptive separation aware flash translation layer for solid
state drives
SO PARALLEL COMPUTING
LA English
DT Article
ID MEMORY
AB The flash-memory based Solid State Drive (SSD) presents a promising storage solution for increasingly critical data-intensive applications due to its low latency (high throughput), high bandwidth, and low power consumption. Within an SSD, its Flash Translation Layer (FTL) is responsible for exposing the SSD's flash memory storage to the computer system as a simple block device. The FTL design is one of the dominant factors determining an SSD's lifespan and performance. To reduce the garbage collection overhead and deliver better performance, we propose a new, low-cost, adaptive separation-aware flash translation layer (ASA-FTL) that combines sampling, data clustering and selective caching of recency information to accurately identify and separate hot/cold data while incurring minimal overhead. We use sampling for light-weight identification of separation criteria, and our dedicated selective caching mechanism is designed to save the limited RAM resource in contemporary SSDs. Using simulations of ASA-FTL with both real-world and synthetic workloads, we have shown that our proposed approach reduces the garbage collection overhead by up to 28% and the overall response time by 15% compared to one of the most advanced existing FTLs. We find that the data clustering using a small sample size provides significant performance benefit while only incurring a very small computation and memory cost. In addition, our evaluation shows that ASA-FTL is able to adapt to the changes in the access pattern of workloads, which is a major advantage comparing to existing fixed data separation methods. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Xie, Wei; Chen, Yong] Texas Tech Univ, Dept Comp Sci, Lubbock, TX 79409 USA.
[Roth, Philip C.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN USA.
RP Chen, Y (reprint author), Texas Tech Univ, Dept Comp Sci, Lubbock, TX 79409 USA.
EM wei.xie@ttu.edu; yong.chen@ttu.edu; rothpc@ornl.gov
FU U.S. Department of Energy, Office of Science, Office of Advanced
Scientific Computing Research; National Science Foundation [CNS-1162488,
CNS-1338078]
FX This material is based upon work supported by the U.S. Department of
Energy, Office of Science, Office of Advanced Scientific Computing
Research. This research is supported by the National Science Foundation
under grant CNS-1162488 and CNS-1338078.
NR 30
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U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0167-8191
EI 1872-7336
J9 PARALLEL COMPUT
JI Parallel Comput.
PD JAN
PY 2017
VL 61
SI SI
BP 3
EP 17
DI 10.1016/j.parco.2016.10.006
PG 15
WC Computer Science, Theory & Methods
SC Computer Science
GA EK6UQ
UT WOS:000394061700002
ER
PT J
AU Malakar, P
Vishwanath, V
AF Malakar, Preeti
Vishwanath, Venkatram
TI Data movement optimizations for independent MPI I/O on the Blue Gene/Q
SO PARALLEL COMPUTING
LA English
DT Article
DE Independent I/O; Data movement; Intra-node data aggregation;
Interconnect routing; File write
AB Scalable high-performance I/O is crucial for application performance on large-scale systems. With the growing complexity of the system interconnects, it has become important to consider the impact of network contention on I/O performance because the I/O messages traverse several hops in the interconnect before reaching the I/O nodes or the file system. In this work, we present a route-aware and load-aware algorithm to modify existing bridge node assignment in the Blue Gene/Q (BG/Q) supercomputer. We reduce the network contention and reduce the write time by an average of 60% over the default independent I/O and by 20% over collective I/O on up to 8192 nodes on the Mira BG/Q system. Our algorithm routes 1.4x fewer messages through the bridge nodes which connect to the I/O nodes on the BG/Q. Our algorithm also reduces the average distance of a compute node from a bridge node, and thus lessens the network load, and decreases I/O time. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Malakar, Preeti; Vishwanath, Venkatram] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Malakar, P (reprint author), Argonne Natl Lab, Argonne, IL 60439 USA.
EM pmalakar@anl.gov; venkat@anl.gov
FU Argonne Leadership Computing Facility at Argonne National Laboratory;
Office of Science of the U.S. Department of Energy [DE-AC02-06CH11357];
DOE Office of Science, Advanced Scientific Computing Research [57L38,
57L32, 57K07, 57K50]
FX This research has been funded in part and used resources of the Argonne
Leadership Computing Facility at Argonne National Laboratory, which is
supported by the Office of Science of the U.S. Department of Energy
under contract DE-AC02-06CH11357. This work was supported in part by the
DOE Office of Science, Advanced Scientific Computing Research, under
award number 57L38, 57L32, 57K07 and 57K50. The authors would also like
to thank Philip Heidelberger and Adam Scovel for their help with BG/Q
routing algorithm and I/O node configurations.
NR 28
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U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0167-8191
EI 1872-7336
J9 PARALLEL COMPUT
JI Parallel Comput.
PD JAN
PY 2017
VL 61
SI SI
BP 35
EP 51
DI 10.1016/j.parco.2016.07.002
PG 17
WC Computer Science, Theory & Methods
SC Computer Science
GA EK6UQ
UT WOS:000394061700004
ER
PT J
AU Duro, FR
Blas, JG
Isaila, F
Carretero, J
Wozniak, JM
Ross, R
AF Rodrigo Duro, Francisco
Garcia Blas, Javier
Isaila, Florin
Carretero, Jesus
Wozniak, Justin M.
Ross, Rob
TI Experimental evaluation of a flexible I/O architecture for accelerating
workflow engines in ultrascale environments
SO PARALLEL COMPUTING
LA English
DT Article
DE Workflow; I/O acceleration; High-performance computing; Cloud computing
ID BIG DATA; SYSTEM
AB The increasing volume of scientific data and the limited scalability and performance of storage systems are currently presenting a significant limitation for the productivity of the scientific workflows running on both high-performance computing (HPC) and cloud platforms. Clearly needed is better integration of storage systems and workflow engines to address this problem. This paper presents and evaluates a novel solution that leverages code sign principles for integrating Hercules an in-memory data store with a workflow management system. We consider four main aspects: workflow representation, task scheduling, task placement, and task termination. The experimental evaluation on both cloud and HPC systems demonstrates significant performance and scalability improvements over existing state-of-the-art approaches. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Rodrigo Duro, Francisco; Garcia Blas, Javier; Isaila, Florin; Carretero, Jesus] Univ Carlos III Madrid, Comp Architecture & Commun Area, Madrid, Spain.
[Wozniak, Justin M.; Ross, Rob] Argonne Natl Lab, Div Math & Comp Sci, Lemont, IL USA.
RP Duro, FR (reprint author), Univ Carlos III Madrid, Comp Architecture & Commun Area, Madrid, Spain.
EM frodrigo@inf.uc3m.es; fjblas@inf.uc3m.es; fisaila@inf.uc3m.es;
jcarrete@intuc3m.es; wozniak@mcs.anl.gov; rross@mcs.anl.gov
FU U.S. Department of Energy, Office of Science [DE-AC02-06CH11357];
Spanish Ministry of Economy and Competitiveness [TIN2013-41350-P];
European Union Seventh Framework Programme (FP7) [328582]
FX This material is based upon work supported by the U.S. Department of
Energy, Office of Science, under contract DE-AC02-06CH11357. This work
also has been partially funded by the grant TIN2013-41350-P from the
Spanish Ministry of Economy and Competitiveness. The research leading to
these results has received funding from the European Union Seventh
Framework Programme (FP7/2007-2013) under grant agreement number 328582.
We gratefully acknowledge the computing resources provided on Fusion, a
high-performance computing cluster operated by the Laboratory Computing
Resource Center at Argonne National Laboratory.
NR 31
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Z9 0
U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0167-8191
EI 1872-7336
J9 PARALLEL COMPUT
JI Parallel Comput.
PD JAN
PY 2017
VL 61
SI SI
BP 52
EP 67
DI 10.1016/j.parco.2016.10.003
PG 16
WC Computer Science, Theory & Methods
SC Computer Science
GA EK6UQ
UT WOS:000394061700005
ER
PT J
AU Shi, LZ
Wang, Z
Yu, WK
Meng, XD
AF Shi, Lizhen
Wang, Zhong
Yu, Weikuan
Meng, Xiandong
TI A case study of tuning MapReduce for efficient Bioinformatics in the
cloud
SO PARALLEL COMPUTING
LA English
DT Article
DE Hadoop; YARN; Parameter optimization; K-mer counting; NGS
ID SEQUENCING DATA; HADOOP; TOOL
AB The combination of the Hadoop MapReduce programming model and cloud computing allows biological scientists to analyze next-generation sequencing (NGS) data in a timely and cost-effective manner. Cloud computing platforms remove the burden of IT facility procurement and management from end users and provide ease of access to Hadoop clusters. However, biological scientists are still expected to choose appropriate Hadoop parameters for running their jobs. More importantly, the available Hadoop tuning guidelines are either obsolete or too general to capture the particular characteristics of bioinformatics applications. In this study, we aim to minimize the cloud computing cost Spent on bioinformatics data analysis by optimizing the extracted significant Hadoop parameters. When using MapReduce-based bioinformatics tools in the cloud, the default settings often lead to resource underutilization and wasteful expenses. We choose k-mer counting, a representative application used in a large number of NGS data analysis tools, as our study case. Experimental results show that, with the fine-tuned parameters, we achieve a total of 4x speedup compared with the original performance (using the default settings). This paper presents an exemplary case for tuning MapReduce-based bioinforrnatics applications in the cloud, and documents the key parameters that could lead to significant performance benefits. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Shi, Lizhen; Yu, Weikuan] Florida State Univ, 600 W Coll Ave, Tallahassee, FL 32306 USA.
[Wang, Zhong; Meng, Xiandong] Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA.
RP Shi, LZ (reprint author), Florida State Univ, 600 W Coll Ave, Tallahassee, FL 32306 USA.
EM lshi@cs.fsu.edu; zhongwang@lbl.gov; yuw@cs.fsu.edu; xiandongmeng@lbl.gov
FU National Science Foundation [1561041, 1564647]; Office of Science of the
U.S. Department of Energy [DE-AC02-05CH11231]
FX We are very thankful to Dr. Shane Canon from Lawrence Berkeley National
Lab, Mr. Brandon Stephens from Florida State University, and the
anonymous reviewers for their insightful comments. This work iss funded
in part by National Science Foundation awards 1561041 and 1564647.
Xiandong Meng, Zhong Wang, and Lizhen Shi partially, are supported by
the Office of Science of the U.S. Department of Energy under Contract
No. DE-AC02-05CH11231.
NR 29
TC 0
Z9 0
U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0167-8191
EI 1872-7336
J9 PARALLEL COMPUT
JI Parallel Comput.
PD JAN
PY 2017
VL 61
SI SI
BP 83
EP 95
DI 10.1016/j.parco.2016.10.002
PG 13
WC Computer Science, Theory & Methods
SC Computer Science
GA EK6UQ
UT WOS:000394061700007
ER
PT J
AU Cao, GH
Bao, JK
Tang, ZT
Liu, Y
Jiang, H
AF Cao, Guang-Han
Bao, Jin-Ke
Tang, Zhang-Tu
Liu, Yi
Jiang, Hao
TI Peculiar properties of Cr3As3-chain-based superconductors
SO PHILOSOPHICAL MAGAZINE
LA English
DT Article
DE Cr-based superconductors; unconventional superconductivity; quasi-one
dimensionality
ID HIGH-FIELD SUPERCONDUCTORS; UNCONVENTIONAL SUPERCONDUCTORS;
MAGNETIC-PROPERTIES; CRYSTAL-STRUCTURE; TEMPERATURE; DEPENDENCE; RB; CS;
PENETRATION; LI0.9MO6O17
AB A(2)Cr(3)As(3) (A = K, Rb, Cs) are the unique Cr-based ambient-pressure superconductors discovered in 2015. The new superconducting family are structurally characterised by quasi one-dimensional (Q1D) [(Cr3As3)(2-)](infinity) double-walled subnanotubes. Peculiar properties have been revealed, which mostly point to unconventional superconductivity. In this contribution, we first describe how the superconductors were discovered. Then we overview recent progress on the crystal structure, electronic structures, theoretical models and physical properties in A(2)Cr(3)As(3). Some new experimental results are included. Finally, we conclude by addressing the related open questions in this emerging subfield of superconductivity.
C1 [Cao, Guang-Han; Bao, Jin-Ke; Tang, Zhang-Tu; Liu, Yi; Jiang, Hao] Zhejiang Univ, Dept Phys, Hangzhou, Zhejiang, Peoples R China.
[Cao, Guang-Han; Bao, Jin-Ke; Tang, Zhang-Tu; Liu, Yi; Jiang, Hao] Collaborat Innovat Ctr Adv Microstruct, Nanjing, Jiangsu, Peoples R China.
[Bao, Jin-Ke] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Jiang, Hao] Xiangtan Univ, Sch Phys & Optoelect, Xiangtan 411105, Peoples R China.
RP Cao, GH (reprint author), Zhejiang Univ, Dept Phys, Hangzhou, Zhejiang, Peoples R China.; Cao, GH (reprint author), Collaborat Innovat Ctr Adv Microstruct, Nanjing, Jiangsu, Peoples R China.
EM ghcao@zju.edu.cn
FU National Natural Science Foundation of China [11674281]; National Key R
& D Program of the MOST of China [2016YFA0300202]; Fundamental Research
Funds for the Central Universities of China
FX This work was supported by the National Natural Science Foundation of
China [grant number 11674281); National Key R & D Program of the MOST of
China [grant number 2016YFA0300202]; the Fundamental Research Funds for
the Central Universities of China.
NR 72
TC 1
Z9 1
U1 3
U2 3
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 1478-6435
EI 1478-6443
J9 PHILOS MAG
JI Philos. Mag.
PY 2017
VL 97
IS 8
BP 591
EP 611
DI 10.1080/14786435.2016.1273558
PG 21
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Physics, Applied; Physics, Condensed Matter
SC Materials Science; Metallurgy & Metallurgical Engineering; Physics
GA EK4EN
UT WOS:000393880000005
ER
PT J
AU Giardina, F
Romero-Severson, EO
Albert, J
Britton, T
Leitner, T
AF Giardina, Federica
Romero-Severson, Ethan Obie
Albert, Jan
Britton, Tom
Leitner, Thomas
TI Inference of Transmission Network Structure from HIV Phylogenetic Trees
SO PLOS COMPUTATIONAL BIOLOGY
LA English
DT Article
ID MONTE-CARLO; DRUG-USERS; DYNAMICS; EPIDEMIC; REVEAL; LIKELIHOODS;
POPULATION; OUTBREAKS; MODELS; SWEDEN
AB Phylogenetic inference is an attractive means to reconstruct transmission histories and epidemics. However, there is not a perfect correspondence between transmission history and virus phylogeny. Both node height and topological differences may occur, depending on the interaction between within-host evolutionary dynamics and between-host transmission patterns. To investigate these interactions, we added a within-host evolutionary model in epidemiological simulations and examined if the resulting phylogeny could recover different types of contact networks. To further improve realism, we also introduced patient-specific differences in infectivity across disease stages, and on the epidemic level we considered incomplete sampling and the age of the epidemic. Second, we implemented an inference method based on approximate Bayesian computation (ABC) to discriminate among three well-studied network models and jointly estimate both network parameters and key epidemiological quantities such as the infection rate. Our ABC framework used both topological and distance- based tree statistics for comparison between simulated and observed trees. Overall, our simulations showed that a virus time-scaled phylogeny (genealogy) may be substantially different from the between-host transmission tree. This has important implications for the interpretation of what a phylogeny reveals about the underlying epidemic contact network. In particular, we found that while the within-host evolutionary process obscures the transmission tree, the diversification process and infectivity dynamics also add discriminatory power to differentiate between different types of contact networks. We also found that the possibility to differentiate contact networks depends on how far an epidemic has progressed, where distance-based tree statistics have more power early in an epidemic. Finally, we applied our ABC inference on two different outbreaks from the Swedish HIV-1 epidemic.
C1 [Giardina, Federica; Britton, Tom] Stockholm Univ, Dept Math, Stockholm, Sweden.
[Giardina, Federica; Romero-Severson, Ethan Obie; Leitner, Thomas] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM 87544 USA.
[Albert, Jan] Karolinska Inst, Dept Microbiol Tumor & Cell Biol, Stockholm, Sweden.
[Albert, Jan] Karolinska Univ Hosp, Dept Clin Microbiol, Stockholm, Sweden.
RP Giardina, F (reprint author), Stockholm Univ, Dept Math, Stockholm, Sweden.; Giardina, F (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM 87544 USA.
EM federica@math.su.se
FU Swedish Research Council [340-2013-5003]; National Institutes of Health
(NIH) [R01AI087520]
FX This work was supported by the Swedish Research Council (grant number
340-2013-5003) and the National Institutes of Health (NIH) (grant number
R01AI087520). The funders had no role in study design, data collection
and analysis, decision to publish, or preparation of the manuscript.
NR 57
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U1 1
U2 1
PU PUBLIC LIBRARY SCIENCE
PI SAN FRANCISCO
PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA
SN 1553-734X
EI 1553-7358
J9 PLOS COMPUT BIOL
JI PLoS Comput. Biol.
PD JAN
PY 2017
VL 13
IS 1
AR e1005316
DI 10.1371/journal.pcbi.1005316
PG 22
WC Biochemical Research Methods; Mathematical & Computational Biology
SC Biochemistry & Molecular Biology; Mathematical & Computational Biology
GA EK7ZT
UT WOS:000394144400035
ER
PT J
AU Manore, CA
Ostfeld, RS
Agusto, FB
Gaff, H
LaDeau, SL
AF Manore, Carrie A.
Ostfeld, Richard S.
Agusto, Folashade B.
Gaff, Holly
LaDeau, Shannon L.
TI Defining the Risk of Zika and Chikungunya Virus Transmission in Human
Population Centers of the Eastern United States
SO PLOS NEGLECTED TROPICAL DISEASES
LA English
DT Article
ID AEDES-ALBOPICTUS DIPTERA; HOST-FEEDING PATTERNS; MOSQUITO-BORNE DISEASE;
DENGUE-FEVER; REPRODUCTION NUMBER; VECTOR COMPETENCE; RESIDENTIAL AREAS;
SEEKING BEHAVIOR; CULEX-PIPIENS; CULICIDAE
AB The recent spread of mosquito-transmitted viruses and associated disease to the Americas motivates a new, data-driven evaluation of risk in temperate population centers. Temperate regions are generally expected to pose low risk for significant mosquito-borne disease; however, the spread of the Asian tiger mosquito (Aedes albopictus) across densely populated urban areas has established a new landscape of risk. We use a model informed by field data to assess the conditions likely to facilitate local transmission of chikungunya and Zika viruses from an infected traveler to Ae. albopictus and then to other humans in USA cities with variable human densities and seasonality. Mosquito-borne disease occurs when specific combinations of conditions maximize virus-to-mosquito and mosquito-to-human contact rates. We develop a mathematical model that captures the epidemiology and is informed by current data on vector ecology from urban sites. The model demonstrates that under specific but realistic conditions, fifty-percent of introductions by infectious travelers to a high human, high mosquito density city could initiate local transmission and 10% of the introductions could result in 100 or more people infected. Despite the propensity for Ae. albopictus to bite non-human vertebrates, we also demonstrate that local virus transmission and human outbreaks may occur when vectors feed from humans even just 40% of the time. Inclusion of human behavioral changes and mitigations were not incorporated into the models and would likely reduce predicted infections. This work demonstrates how a conditional series of non-average events can result in local arbovirus transmission and outbreaks of human disease, even in temperate cities.
C1 [Manore, Carrie A.] Tulane Univ, Ctr Computat Sci, New Orleans, LA 70118 USA.
[Manore, Carrie A.] Los Alamos Natl Lab, Theoret Biol & Biophys, Los Alamos, NM 87544 USA.
[Manore, Carrie A.] New Mexico Consortium, Suite Los Alamos, Los Alamos, NM 87544 USA.
[Ostfeld, Richard S.; LaDeau, Shannon L.] Cary Inst Ecosyst Studies, Box AB, Millbrook, NY USA.
[Agusto, Folashade B.] Univ Kansas, Dept Ecol & Evolutionary Biol, Haworth Hall, Lawrence, KS 66045 USA.
[Gaff, Holly] Old Dominion Univ, Dept Biol Sci, MGB, Norfolk, VA 23529 USA.
[Gaff, Holly] Univ KwaZulu Natal, Math Stat & Comp Sci, Durban, South Africa.
RP Manore, CA (reprint author), Tulane Univ, Ctr Computat Sci, New Orleans, LA 70118 USA.; Manore, CA (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophys, Los Alamos, NM 87544 USA.; Manore, CA (reprint author), New Mexico Consortium, Suite Los Alamos, Los Alamos, NM 87544 USA.
EM cmanore@tulane.edu
FU National Science Foundation through NSF [DBI-1300426]; University of
Tennessee, Knoxville; NSF SEES grant [CHE-1314029]; NSF RAPID [DEB
1641130]; Los Alamos National Laboratory Directors Postdoctoral
Fellowship; NIH-MIDAS grant [U01-GM097661]; NSF CHNS grant [DEB
1211797]; KU grant [NFGRF 2302100]
FX This work was conducted as a part of the Climate Change and Vector-borne
Diseases Working Group at the National Institute for Mathematical and
Biological Synthesis, by National Science Foundation through NSF Award
#DBI-1300426, with additional support from The University of Tennessee,
Knoxville. CM was supported by NSF SEES grant CHE-1314029, NSF RAPID
(DEB 1641130), a Los Alamos National Laboratory Directors Postdoctoral
Fellowship, and NIH-MIDAS grant U01-GM097661. SL was supported by NSF
CHNS grant DEB 1211797. FA was supported by KU grant NFGRF 2302100. The
funders had no role in study design, data collection and analysis,
decision to publish, or preparation of the manuscript.
NR 90
TC 0
Z9 0
U1 7
U2 7
PU PUBLIC LIBRARY SCIENCE
PI SAN FRANCISCO
PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA
SN 1935-2735
J9 PLOS NEGLECT TROP D
JI Plos Neglect. Trop. Dis.
PD JAN
PY 2017
VL 11
IS 1
AR e0005255
DI 10.1371/journal.pntd.0005255
PG 19
WC Infectious Diseases; Parasitology; Tropical Medicine
SC Infectious Diseases; Parasitology; Tropical Medicine
GA EK8CR
UT WOS:000394152000036
ER
PT J
AU Liu, Y
Zhu, WH
Tan, YH
Nakayasu, ES
Staiger, CJ
Luo, ZQ
AF Liu, Yao
Zhu, Wenhan
Tan, Yunhao
Nakayasu, Ernesto S.
Staiger, Christopher J.
Luo, Zhao-Qing
TI A Legionella Effector Disrupts Host Cytoskeletal Structure by Cleaving
Actin
SO PLOS PATHOGENS
LA English
DT Article
ID RHO GTPASES; ENDOPLASMIC-RETICULUM; BACTERIAL INVASION; PNEUMOPHILA;
PROTEIN; PATHOGEN; CELLS; SYSTEM; FAMILY; DOMAIN
AB Legionella pneumophila, the etiological agent of Legionnaires' disease, replicates intracellularly in protozoan and human hosts. Successful colonization and replication of this pathogen in host cells requires the Dot/Icm type IVB secretion system, which translocates approximately 300 effector proteins into the host cell to modulate various cellular processes. In this study, we identified RavK as a Dot/Icm substrate that targets the host cytoskeleton and reduces actin filament abundance in mammalian cells upon ectopic expression. RavK harbors an H95EXXH99 motif associated with diverse metalloproteases, which is essential for the inhibition of yeast growth and for the induction of cell rounding in HEK293T cells. We demonstrate that the actin protein itself is the cellular target of RavK and that this effector cleaves actin at a site between residues Thr351 and Phe352. Importantly, RavK-mediated actin cleavage also occurs during L. pneumophila infection. Cleavage by RavK abolishes the ability of actin to form polymers. Furthermore, an F352A mutation renders actin resistant to RavK-mediated cleavage; expression of the mutant in mammalian cells suppresses the cell rounding phenotype caused by RavK, further establishing that actin is the physiological substrate of RavK. Thus, L. pneumophila exploits components of the host cytoskeleton by multiple effectors with distinct mechanisms, highlighting the importance of modulating cellular processes governed by the actin cytoskeleton in the intracellular life cycle of this pathogen.
C1 [Liu, Yao; Zhu, Wenhan; Tan, Yunhao; Staiger, Christopher J.; Luo, Zhao-Qing] Purdue Univ, Purdue Inst Inflammat Immunol & Infect Dis, W Lafayette, IN 47907 USA.
[Liu, Yao; Zhu, Wenhan; Tan, Yunhao; Staiger, Christopher J.; Luo, Zhao-Qing] Purdue Univ, Dept Biol Sci, W Lafayette, IN 47907 USA.
[Nakayasu, Ernesto S.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
[Zhu, Wenhan] UT Southwestern Med Ctr, Dept Microbiol, Dallas, TX USA.
[Tan, Yunhao] Boston Childrens Hosp, Div Gastroenterol, Boston, MA USA.
[Tan, Yunhao] Harvard Med Sch, Boston, MA USA.
RP Luo, ZQ (reprint author), Purdue Univ, Purdue Inst Inflammat Immunol & Infect Dis, W Lafayette, IN 47907 USA.
EM luoz@purdue.edu
FU National Institute of Health [R56AI103168, R21AI105714, R21AI117205]
FX This work was supported by National Institute of Health
(https://www.nih.gov/) grants R56AI103168, R21AI105714, R21AI117205
(ZQL). The funders had no role in study design, data collection and
analysis, decision to publish, or preparation of the manuscript.
NR 58
TC 0
Z9 0
U1 0
U2 0
PU PUBLIC LIBRARY SCIENCE
PI SAN FRANCISCO
PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA
SN 1553-7366
EI 1553-7374
J9 PLOS PATHOG
JI PLoS Pathog.
PD JAN
PY 2017
VL 13
IS 1
AR e1006186
DI 10.1371/journal.ppat.1006186
PG 23
WC Microbiology; Parasitology; Virology
SC Microbiology; Parasitology; Virology
GA EN1AV
UT WOS:000395743500069
PM 28129393
ER
PT J
AU Denning, R
Mubayi, V
AF Denning, Richard
Mubayi, Vinod
TI Insights into the Societal Risk of Nuclear Power Plant Accidents
SO RISK ANALYSIS
LA English
DT Article
DE Nuclear power plants; safety goals; severe accidents; societal risk
AB The elements of societal risk from a nuclear power plant accident are clearly illustrated by the Fukushima accident: land contamination, long-term relocation of large numbers of people, loss of productive farm area, loss of industrial production, and significant loss of electric capacity. NUREG-1150 and other studies have provided compelling evidence that the individual health risk of nuclear power plant accidents is effectively negligible relative to other comparable risks, even for people living in close proximity to a plant. The objective of this study is to compare the societal risk of nuclear power plant accidents to that of other events to which the public is exposed. We have characterized the monetized societal risk in the United States from major societally disruptive events, such as hurricanes, in the form of a complementary cumulative distribution function. These risks are compared with nuclear power plant risks, based on NUREG-1150 analyses and new MACCS code calculations to account for differences in source terms determined in the more recent SOARCA study. A candidate quantitative societal objective is discussed for potential adoption by the NRC. The results are also interpreted with regard to the acceptability of nuclear power as a major source of future energy supply.
C1 [Mubayi, Vinod] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Denning, R (reprint author), 2041 Hythe Rd, Columbus, OH 43220 USA.
EM denningrs.8@gmail.com
NR 33
TC 0
Z9 0
U1 1
U2 1
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0272-4332
EI 1539-6924
J9 RISK ANAL
JI Risk Anal.
PD JAN
PY 2017
VL 37
IS 1
BP 160
EP 172
DI 10.1111/risa.12590
PG 13
WC Public, Environmental & Occupational Health; Mathematics,
Interdisciplinary Applications; Social Sciences, Mathematical Methods
SC Public, Environmental & Occupational Health; Mathematics; Mathematical
Methods In Social Sciences
GA EL8XZ
UT WOS:000394905000013
PM 26882406
ER
PT J
AU Kim, S
Kiniry, JR
Williams, AS
Meki, N
Gaston, L
Brakie, M
Shadow, A
Fritschi, FB
Wu, YQ
AF Kim, Sumin
Kiniry, James R.
Williams, Amber S.
Meki, Norman
Gaston, Lewis
Brakie, Melinda
Shadow, Alan
Fritschi, Felix B.
Wu, Yanqi
TI Adaptation of C-4 Bioenergy Crop Species to Various Environments within
the Southern Great Plains of USA
SO SUSTAINABILITY
LA English
DT Article
DE ALMANAC; switchgrass; M. x giganteus; bioenergy; climate; nitrogen
ID MISCANTHUS X GIGANTEUS; BIOMASS YIELD; NITROGEN-FERTILIZATION; ALAMO
SWITCHGRASS; ALMANAC MODEL; ENERGY; WATER; BIOFUEL; SOIL; PHOSPHORUS
AB As highly productive perennial grasses are evaluated as bioenergy feedstocks, a major consideration is biomass yield stability. Two experiments were conducted to examine some aspects of yield stability for two biofuel species: switchgrass (Panicum vigratum L.) and Miscanthus x giganteus (Mxg). Biomass yields of these species were evaluated under various environmental conditions across the Southern Great Plains (SGP), including some sites with low soil fertility. In the first experiment, measured yields of four switchgrass ecotypes and Mxg varied among locations. Overall, plants showed optimal growth performance in study sites close to their geographical origins. Lowland switchgrass ecotypes and Mxg yields simulated by the ALMANAC model showed reasonable agreement with the measured yields across all study locations, while the simulated yields of upland switchgrass ecotypes were overestimated in northern locations. In the second experiment, examination of different N fertilizer rates revealed switchgrass yield increases over the range of 0, 80, or 160 kg N ha(-1) year(-1), while Mxg only showed yield increases between the low and medium N rates. This provides useful insights to crop management of two biofuel species and to enhance the predictive accuracy of process-based models, which are critical for developing bioenergy market systems in the SGP.
C1 [Kim, Sumin] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37830 USA.
[Kiniry, James R.; Williams, Amber S.] ARS, USDA, Grassland Soil & Water Res Lab, Temple, TX 76502 USA.
[Meki, Norman] Texas A&M AgriLife Res, Blackland Res & Extens Ctr, Temple, TX 76502 USA.
[Gaston, Lewis] LSI AgCtr, Coll Agr, Sch Plant Environm & Soil Sci, Baton Rouge, LA 70803 USA.
[Brakie, Melinda; Shadow, Alan] USDA NRCS East Texas Plant Mat Ctr, Nacogdoches, TX 76501 USA.
[Fritschi, Felix B.] Univ Missouri, Div Plant Sci, Columbia, MO 65211 USA.
[Wu, Yanqi] Oklahoma State Univ, Stillwater, OK 74078 USA.
RP Kiniry, JR (reprint author), ARS, USDA, Grassland Soil & Water Res Lab, Temple, TX 76502 USA.
EM Sumin.kim@ars.usda.gov; Jim.Kiniry@ARS.USDA.GOV;
Amber.Williams@ARS.USDA.GOV; Normanmeki@yahoo.com;
LAGaston@agcenter.lsu.edu; Melinda.Brakie@tx.usda.gov;
Alan.Shadow@tx.usda.gov; FritschiF@missouri.edu; yanqi.wu@okstate.edu
FU Plant Genome Research Program Grant [NSF IOS-0922457]; U.S. Department
of Energy (DOE); U.S. Department of Agriculture (USDA), Agricultural
Research Service [60-3098-5-002]
FX We are grateful to Rick Greeson who assisted with data collection. This
work was partially supported by a Plant Genome Research Program Grant to
T.E. Juenger and T.H. Keitt (NSF IOS-0922457). This work was also
supported in part by an appointment to the Agricultural Research Service
administered by the Oak Ridge Institute for Science and Education
through interagency agreement between the U.S. Department of Energy
(DOE) and the U.S. Department of Agriculture (USDA), Agricultural
Research Service Agreement #60-3098-5-002.
NR 68
TC 0
Z9 0
U1 2
U2 2
PU MDPI AG
PI BASEL
PA ST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLAND
SN 2071-1050
J9 SUSTAINABILITY-BASEL
JI Sustainability
PD JAN
PY 2017
VL 9
IS 1
AR 89
DI 10.3390/su9010089
PG 17
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Environmental Sciences;
Environmental Studies
SC Science & Technology - Other Topics; Environmental Sciences & Ecology
GA EL8AO
UT WOS:000394842700088
ER
PT J
AU Malespin, M
Benyashvili, T
Uprichard, SL
Perelson, AS
Dahari, H
Cotler, SJ
AF Malespin, Miguel
Benyashvili, Tamara
Uprichard, Susan L.
Perelson, Alan S.
Dahari, Harel
Cotler, Scott J.
TI Prevalence of end of treatment RNA-positive/sustained viral response in
HCV patients treated with sofosbuvir combination therapies
SO THERAPEUTIC ADVANCES IN GASTROENTEROLOGY
LA English
DT Article
DE direct antiviral agents; end of treatment response; HCV; SVR
ID HEPATITIS-C VIRUS; GENOTYPE 1 INFECTION; ACTING ANTIVIRAL TREATMENT;
VIROLOGICAL RESPONSE; PLUS RIBAVIRIN; PEGINTERFERON ALPHA-2A;
REGISTRATIONAL TRIALS; GUIDED THERAPY; REGIMENS; ASSAYS
AB Background: Some chronic hepatitis C virus (HCV), genotype 1 infected patients treated with direct antiviral agents (DAAs) remain viremic at end of treatment (EOT+), yet go on to achieve sustained virological response 12weeks after completion of therapy (SVR12). The incidence of EOT+/SVR in patients with genotype 1 and other genotypes, as well as whether such patients achieve SVR24 remain in question. The aims of this study were to evaluate the frequency and durability of EOT+/SVR12&24 and other response categories in HCV genotype 1, 2, or 3 infected patients treated with DAA in clinical practice.
Methods: Data from patients treated with all oral sofosbuvir-based regimens at a university hepatology practice by 1 July 2015 were reviewed retrospectively. Responses were categorized based on virus levels during and post DAA treatment. HCV RNA levels were measured by Abbott RealTime HCV (ART) or by Roche CobasTaqMan v2.0 (RCTM) assays.
Results: The study population included 89 patients. Participants were 62% genotype 1, 19% genotype 2 and 19% genotype 3, 54% cirrhotic and 46% treatment-experienced. A total of 45 received sofosbuvir-simeprevir, 38 sofosbuvir-ribavirin and 6 sofosbuvir-ledipasvir. The SVR12 rate was 82%. A total of 5 patients (6%), all with genotype 1, had EOT+ by ART assay and each achieved SVR12&24.
Conclusions: A total of 9% of genotype 1 patients (6% overall) treated with DAAs were EOT+ by ART and all EOT+ cases achieved SVR24. EOT+/SVR was not observed with genotype 2 or 3 or by the RCTM assay. In patients treated with DAAs, EOT+ by the ART assay does not indicate treatment failure.
C1 [Malespin, Miguel] Univ Florida Hlth, Dept Med, Div Gastroenterol & Hepatol, 4555 Emerson St Ste 300, Jacksonville, FL 32207 USA.
[Benyashvili, Tamara; Uprichard, Susan L.; Dahari, Harel; Cotler, Scott J.] Loyola Univ, Med Ctr, Dept Med, Div Hepatol,Program Experimental & Theoretical Mo, Maywood, IL 60153 USA.
[Perelson, Alan S.] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM USA.
RP Malespin, M (reprint author), Univ Florida Hlth, Dept Med, Div Gastroenterol & Hepatol, 4555 Emerson St Ste 300, Jacksonville, FL 32207 USA.
EM miguel.malespin@jax.ufl.edu
FU NIH [R01-AI078881, R01-OD011095, P20-GM103452]; US Department of Energy
[DE-AC52-06NA25396]
FX The authors disclosed receipt of the following financial support for the
research, authorship, and/or publication of this article: NIH grants
R01-AI078881, R01-OD011095 and P20-GM103452 and the US Department of
Energy contract DE-AC52-06NA25396.
NR 20
TC 0
Z9 0
U1 0
U2 0
PU SAGE PUBLICATIONS LTD
PI LONDON
PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND
SN 1756-283X
EI 1756-2848
J9 THER ADV GASTROENTER
JI Ther. Adv. Gastroenterol.
PD JAN
PY 2017
VL 10
IS 1
BP 68
EP 73
DI 10.1177/1756283X16672392
PG 6
WC Gastroenterology & Hepatology
SC Gastroenterology & Hepatology
GA EK3UT
UT WOS:000393854600007
PM 28286560
ER
PT J
AU Eveline, VF
Akkutlu, IY
Moridis, GJ
AF Eveline, Vena F.
Akkutlu, I. Yucel
Moridis, George J.
TI Numerical Simulation of Hydraulic Fracturing Water Effects on Shale Gas
Permeability Alteration
SO TRANSPORT IN POROUS MEDIA
LA English
DT Article
DE Numerical simulation; Osmosis; Formation damage; Clay swelling;
Hydraulic fracturing
ID CLAY MEMBRANES; OSMOTIC MODEL; RESERVOIRS; TRANSPORT; BLOCKING; WELLS;
FLOW
AB Hydraulic fracturing has been recognized as the necessary well completion technique to achieve economic production from shale gas formation. However, following the fracturing, fluid-wall interactions can form a damaged zone nearby the fracture characterized by strong capillarity and osmosis effects. Here, we present a new reservoir multi-phase flow model which includes these mechanisms to predict formation damage in the aftermath of the fracturing during shut-in and production periods. In the model, the shale matrix is treated as a multi-scale porosity medium including interconnected organic, inorganic slit-shaped, and clay porosity fields. Prior to the fracturing, the matrix holds gas in the organic and the inorganic slit-shaped pores, water with dissolved salt in the inorganic slit-shaped pores and the clay pores. During and after fracturing, imbibition causes water invasion into the matrix, and then, the injected water-clay interaction may lead to clay-swelling pressure development due to osmosis. The swelling pressure gives additional stress to slit-shaped pores and cause permeability reduction in the inorganic matrix. We develop a simulator describing a system of three pores, two phases (aqueous and gaseous phases), and three components (, and salt), including osmosis and clay-swelling effect on the permeability. The simulation of aqueous-phase transport through clay shows that high swelling pressure can occur in clays as function of salt type, salt concentration difference, and clay-membrane efficiency. The new model is used to demonstrate the damage zone characteristics. The simulation of two-phase flow through the shale formation shows that, although fracturing is a rapid process, fluid-wall interactions continue to occur after the fracturing due to imbibition mechanism, which allows water to penetrate into the inorganic pore network and displace the gas in-place near the fracture. This water invasion leads to osmosis effect in the formation, which cause clay swelling and the subsequent permeability reduction. Continuing shale-water interactions during the production period can expand the damage zone further.
C1 [Eveline, Vena F.; Akkutlu, I. Yucel] Texas A&M Univ, College Stn, TX 77843 USA.
[Moridis, George J.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Eveline, VF (reprint author), Texas A&M Univ, College Stn, TX 77843 USA.
EM vena.eveline@tamu.edu
FU Indonesian State Oil Company, PERTAMINA
FX The authors thank to the Indonesian State Oil Company, PERTAMINA, for
their support of this work.
NR 29
TC 0
Z9 0
U1 4
U2 4
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0169-3913
EI 1573-1634
J9 TRANSPORT POROUS MED
JI Transp. Porous Media
PD JAN
PY 2017
VL 116
IS 2
BP 727
EP 752
DI 10.1007/s11242-016-0798-4
PG 26
WC Engineering, Chemical
SC Engineering
GA EK8IR
UT WOS:000394167600014
ER
PT J
AU Ye, HH
Liu, YZ
Chhabra, A
Lilla, E
Xia, XH
AF Ye, Haihang
Liu, Yuzi
Chhabra, Ashima
Lilla, Emily
Xia, Xiaohu
TI Polyvinylpyrrolidone (PVP)-Capped Pt Nanocubes with Superior
Peroxidase-Like Activity
SO CHEMNANOMAT
LA English
DT Article
DE catalytic efficiency; nanocrystals; peroxidase mimics; platinum; surface
capping
ID SHAPE-CONTROLLED SYNTHESIS; SEED-MEDIATED GROWTH; QUANTITATIVE-ANALYSIS;
METAL NANOCRYSTALS; ARTIFICIAL ENZYMES; OXYGEN REDUCTION; COVERAGE
DENSITY; PD NANOCRYSTALS; NANOPARTICLES; SURFACE
AB Peroxidase mimics composed of inorganic nanoparticles are expected to circumvent the inherent difficulties of natural peroxidases, and to provide enhanced performance in important applications such as diagnosis and imaging. Despite the reports of a variety of peroxidase mimics in the past decade, very limited progress has been made on improving their catalytic efficiency. The catalytic efficiencies of most previously reported mimics are only up to one order of magnitude higher than those of natural peroxidases. In this work, we demonstrate a highly efficient peroxidasepolyvinylpyrrolidone (PVP)-capped Pt nanocubes of sub-10nm in size. These PVP-capped Pt cubes are approximate to 200-fold more active than the natural counterparts and exhibit a record-high specific catalytic efficiency. In addition to the superior efficiency, the new mimic shows several other promising features, including excellent stabilities, well-controlled uniformity in both size and shape, controllable sizes, and facile and scalable production.
C1 [Ye, Haihang; Chhabra, Ashima; Lilla, Emily; Xia, Xiaohu] Michigan Technol Univ, Dept Chem, Houghton, MI 49931 USA.
[Liu, Yuzi] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Xia, XH (reprint author), Michigan Technol Univ, Dept Chem, Houghton, MI 49931 USA.
EM xiaxh@mtu.edu
FU Michigan Technological University; Michigan Translational Research &
Commercialization Fund (MTRAC) of the 21st Century Jobs Trust Fund
through the Michigan Strategic Fund from the State of Michigan [48161];
Michigan Strategic Fund; Michigan Economic Development Corporation;
Center for Nanoscale Materials, a U.S. Department of Energy Office of
Science User Facility [DE-AC02-06CH11357]
FX This work was partially supported by the startup funds from Michigan
Technological University, and the Michigan Translational Research &
Commercialization Fund (MTRAC), Grant Case-48161 of the 21st Century
Jobs Trust Fund received through the Michigan Strategic Fund from the
State of Michigan. The MTRAC program is funded by the Michigan Strategic
Fund with program oversight by the Michigan Economic Development
Corporation. This work was performed, in part (TEM imaging), at the
Center for Nanoscale Materials, a U.S. Department of Energy Office of
Science User Facility under Contract No. DE-AC02-06CH11357.
NR 41
TC 1
Z9 1
U1 12
U2 12
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 2199-692X
J9 CHEMNANOMAT
JI ChemNanoMat
PD JAN
PY 2017
VL 3
IS 1
BP 33
EP 38
DI 10.1002/cnma.201600268
PG 6
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA EK1RA
UT WOS:000393702100006
ER
PT J
AU Liu, NG
Su, ZP
Gao, ZL
Zheng, HN
Wang, YM
Wang, S
Spence, HE
Reeves, GD
Baker, DN
Blake, JB
Funsten, HO
Wygant, JR
AF Liu, Nigang
Su, Zhenpeng
Gao, Zhonglei
Zheng, Huinan
Wang, Yuming
Wang, Shui
Spence, H. E.
Reeves, G. D.
Baker, D. N.
Blake, J. B.
Funsten, H. O.
Wygant, J. R.
TI Simultaneous disappearances of plasmaspheric hiss, exohiss, and chorus
waves triggered by a sudden decrease in solar wind dynamic pressure
SO GEOPHYSICAL RESEARCH LETTERS
LA English
DT Article
DE plasmaspheric hiss; exohiss; chorus; wave disappearance; wave generation
ID RADIATION-BELT ELECTRONS; VAN ALLEN PROBES; WHISTLER-MODE CHORUS;
MAGNETIC-FIELD; ENERGETIC ELECTRONS; ACCELERATION; FREQUENCY; DIFFUSION;
THEMIS; EMISSIONS
AB Magnetospheric whistler mode waves are of great importance in the radiation belt electron dynamics. Here on the basis of the analysis of a rare event with the simultaneous disappearances of whistler mode plasmaspheric hiss, exohiss, and chorus triggered by a sudden decrease in the solar wind dynamic pressure, we provide evidences for the following physical scenarios: (1) nonlinear generation of chorus controlled by the geomagnetic field inhomogeneity, (2) origination of plasmaspheric hiss from chorus, and (3) leakage of plasmaspheric hiss into exohiss. Following the reduction of the solar wind dynamic pressure, the dayside geomagnetic field configuration with the enhanced inhomogeneity became unfavorable for the generation of chorus, and the quenching of chorus directly caused the disappearances of plasmaspheric hiss and then exohiss.
C1 [Liu, Nigang; Su, Zhenpeng; Gao, Zhonglei; Zheng, Huinan; Wang, Yuming; Wang, Shui] Univ Sci & Technol China, Dept Geophys & Planetary Sci, CAS Key Lab Geospace Environm, Hefei, Peoples R China.
[Liu, Nigang; Su, Zhenpeng; Gao, Zhonglei; Zheng, Huinan] Collaborat Innovat Ctr Astronaut Sci & Technol, Harbin, Peoples R China.
[Liu, Nigang; Gao, Zhonglei] Univ Sci & Technol China, Sch Earth & Space Sci, Mengcheng Natl Geophys Observ, Hefei, Peoples R China.
[Spence, H. E.] Univ New Hampshire, Inst Study Earth Oceans & Space, Durham, NH 03824 USA.
[Reeves, G. D.] Los Alamos Natl Lab, Space Sci & Applicat Grp, Los Alamos, NM USA.
[Reeves, G. D.] New Mexico Consortium, Space Sci Div, Los Alamos, NM USA.
[Baker, D. N.] Univ Colorado, Lab Atmospher & Space Phys, Boulder, CO 80309 USA.
[Blake, J. B.] Aerosp Corp, POB 92957, Los Angeles, CA 90009 USA.
[Funsten, H. O.] Los Alamos Natl Lab, ISR Div, Los Alamos, NM USA.
[Wygant, J. R.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA.
RP Su, ZP (reprint author), Univ Sci & Technol China, Dept Geophys & Planetary Sci, CAS Key Lab Geospace Environm, Hefei, Peoples R China.; Su, ZP (reprint author), Collaborat Innovat Ctr Astronaut Sci & Technol, Harbin, Peoples R China.
EM szpe@mail.ustc.edu.cn
OI Su, Zhenpeng/0000-0001-5577-4538; Gao, Zhonglei/0000-0001-7397-930X;
Spence, Harlan/0000-0002-2526-2205; Reeves, Geoffrey/0000-0002-7985-8098
FU National Natural Science Foundation of China [41631071, 41422405,
41274169, 41274174, 41174125, 41131065, 41421063, 41231066, 41304134];
Chinese Academy of Sciences [KZCX2-EW-QN510, KZZD-EW-01-4]; CAS Key
Research Program of Frontier Sciences [QYZDB-SSW-DQC015]; National Key
Basic Research Special Foundation of China [2011CB811403]; Fundamental
Research Funds for the Central Universities [WK2080000077]
FX This work was supported by the National Natural Science Foundation of
China grants 41631071, 41422405, 41274169, 41274174, 41174125, 41131065,
41421063, 41231066, and 41304134; the Chinese Academy of Sciences grants
KZCX2-EW-QN510 and KZZD-EW-01-4; the CAS Key Research Program of
Frontier Sciences grant QYZDB-SSW-DQC015; the National Key Basic
Research Special Foundation of China grant 2011CB811403; and the
Fundamental Research Funds for the Central Universities WK2080000077. We
acknowledge J.H. King, N. Papatashvilli, and CDAWeb for the use of
interplanetary parameters and magnetospheric indices, acknowledge the
University of Iowa as the source for the EMFISIS data (this
acknowledgment does not imply endorsement of the publication by the
University of Iowa or its researchers), and acknowledge the THEMIS team
for the use of SCM, FGM, ESA, SST, and EFI data. The interplanetary
parameters and geomagnetic indices are obtained at the CDAWeb
(http://cdaweb.gsfc.nasa.gov/cdaweb/istp_public/). The RBSP data are
available at the websites http://emfisis.physics.uiowa.edu/Flight/ for
EMFISIS, http://www.rbsp-ect.lanl.gov/data_pub/ for ECT, and
http://www.space.umn.edu/rbspefw-data/ for EFW. The THEMIS data are
available at the website http://themis.ssl.berkeley.edu/data/themis/.
NR 90
TC 1
Z9 1
U1 1
U2 1
PU AMER GEOPHYSICAL UNION
PI WASHINGTON
PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA
SN 0094-8276
EI 1944-8007
J9 GEOPHYS RES LETT
JI Geophys. Res. Lett.
PD JAN
PY 2017
VL 44
IS 1
BP 52
EP 61
DI 10.1002/2016GL071987
PG 10
WC Geosciences, Multidisciplinary
SC Geology
GA EK5GM
UT WOS:000393954900007
ER
PT J
AU Jeong, S
Cui, XG
Blake, DR
Miller, B
Montzka, SA
Andrews, A
Guha, A
Martien, P
Bambha, RP
LaFranchi, B
Michelsen, HA
Clements, CB
Glaize, P
Fischer, ML
AF Jeong, Seongeun
Cui, Xinguang
Blake, Donald R.
Miller, Ben
Montzka, Stephen A.
Andrews, Arlyn
Guha, Abhinav
Martien, Philip
Bambha, Ray P.
LaFranchi, Brian
Michelsen, Hope A.
Clements, Craig B.
Glaize, Pierre
Fischer, Marc L.
TI Estimating methane emissions from biological and fossil-fuel sources in
the San Francisco Bay Area
SO GEOPHYSICAL RESEARCH LETTERS
LA English
DT Article
DE methane; greenhouse gas; natural gas; emission inventory; atmospheric
transport; inverse model
ID LOS-ANGELES BASIN; CALIFORNIA; MODEL; GOSAT; CA
AB We present the first sector-specific analysis of methane (CH4) emissions from the San Francisco Bay Area (SFBA) using CH4 and volatile organic compound (VOC) measurements from six sites during September - December 2015. We apply a hierarchical Bayesian inversion to separate the biological from fossil-fuel (natural gas and petroleum) sources using the measurements of CH4 and selected VOCs, a source-specific 1km CH4 emission model, and an atmospheric transport model. We estimate that SFBA CH4 emissions are 166-289GgCH(4)/yr (at 95% confidence), 1.3-2.3 times higher than a recent inventory with much of the underestimation from landfill. Including the VOCs, 8227% of total posterior median CH4 emissions are biological and 173% fossil fuel, where landfill and natural gas dominate the biological and fossil-fuel CH4 of prior emissions, respectively.
C1 [Jeong, Seongeun; Cui, Xinguang; Fischer, Marc L.] Lawrence Berkeley Natl Lab, Energy Anal & Environm Impacts Div, Berkeley, CA 94720 USA.
[Blake, Donald R.] Univ Calif Irvine, Dept Chem, Irvine, CA 92717 USA.
[Miller, Ben; Montzka, Stephen A.; Andrews, Arlyn] NOAA, Earth Syst Res Lab, Boulder, CO USA.
[Guha, Abhinav; Martien, Philip] Bay Area Air Qual Management Dist, San Francisco, CA USA.
[Bambha, Ray P.; LaFranchi, Brian; Michelsen, Hope A.] Sandia Natl Labs, Livermore, CA USA.
[Clements, Craig B.; Glaize, Pierre] San Jose State Univ, Dept Meteorol & Climate Sci, San Jose, CA 95192 USA.
RP Jeong, S (reprint author), Lawrence Berkeley Natl Lab, Energy Anal & Environm Impacts Div, Berkeley, CA 94720 USA.
EM sjeong@lbl.gov
FU California Energy Commissions Public Interest Environmental Research
program under U.S. Department of Energy [DE-AC02-05CH11231]
FX Authors acknowledge BAAQMD staff in the Planning and Climate Protection
Division for assistance with emissions inventory development and staff
in the Meteorology, Measurements and Rules Division for assistance with
air quality data collection and site access. The methane and ethane data
used in the inversion, THD background data, and high-resolution prior
emissions are in supplements, and the CALGEM prior emission distribution
is available at http://calgem.lbl.gov/. This analysis was supported by
the California Energy Commissions Public Interest Environmental Research
program, with work at LBNL conducted under U.S. Department of Energy
contract DE-AC02-05CH11231.
NR 45
TC 2
Z9 2
U1 5
U2 5
PU AMER GEOPHYSICAL UNION
PI WASHINGTON
PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA
SN 0094-8276
EI 1944-8007
J9 GEOPHYS RES LETT
JI Geophys. Res. Lett.
PD JAN
PY 2017
VL 44
IS 1
BP 486
EP 495
DI 10.1002/2016GL071794
PG 10
WC Geosciences, Multidisciplinary
SC Geology
GA EK5GM
UT WOS:000393954900056
ER
PT J
AU Raz-Yaseef, N
Torn, MS
Wu, YX
Billesbach, DP
Liljedahl, AK
Kneafsey, TJ
Romanovsky, VE
Cook, DR
Wullschleger, SD
AF Raz-Yaseef, Naama
Torn, Margaret S.
Wu, Yuxin
Billesbach, Dave P.
Liljedahl, Anna K.
Kneafsey, Timothy J.
Romanovsky, Vladimir E.
Cook, David R.
Wullschleger, Stan D.
TI Large CO2 and CH4 emissions from polygonal tundra during spring thaw in
northern Alaska
SO GEOPHYSICAL RESEARCH LETTERS
LA English
DT Article
DE Arctic; tundra; carbon fluxes; thaw; pulse; eddy covariance
ID METHANE EMISSION; ARCTIC TUNDRA; PERMAFROST CARBON; ACTIVE LAYER;
ECOSYSTEM; EXCHANGE; FLUXES; SEASON; SOILS; SNOW
AB The few prethaw observations of tundra carbon fluxes suggest that there may be large spring releases, but little is known about the scale and underlying mechanisms of this phenomenon. To address these questions, we combined ecosystem eddy flux measurements from two towers near Barrow, Alaska, with mechanistic soil-core thawing experiment. During a 2week period prior to snowmelt in 2014, large fluxes were measured, reducing net summer uptake of CO2 by 46% and adding 6% to cumulative CH4 emissions. Emission pulses were linked to unique rain-on-snow events enhancing soil cracking. Controlled laboratory experiment revealed that as surface ice thaws, an immediate, large pulse of trapped gases is emitted. These results suggest that the Arctic CO2 and CH4 spring pulse is a delayed release of biogenic gas production from the previous fall and that the pulse can be large enough to offset a significant fraction of the moderate Arctic tundra carbon sink.
C1 [Raz-Yaseef, Naama; Torn, Margaret S.; Wu, Yuxin; Kneafsey, Timothy J.] Lawrence Berkeley Natl Lab, Climate & Ecosyst Sci Div, Berkeley, CA 94720 USA.
[Torn, Margaret S.] Univ Calif Berkeley, Energy & Resources Grp, Berkeley, CA 94720 USA.
[Billesbach, Dave P.] Univ Nebraska, Dept Biol Syst Engn, Lincoln, NE USA.
[Liljedahl, Anna K.] Univ Alaska Fairbanks, Water & Environm Res Ctr, Fairbanks, AK USA.
[Romanovsky, Vladimir E.] Univ Alaska Fairbanks, Inst Geophys, Fairbanks, AK 99775 USA.
[Cook, David R.] Argonne Natl Lab, Div Environm Sci, Lemont, IL USA.
[Wullschleger, Stan D.] Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA.
RP Raz-Yaseef, N (reprint author), Lawrence Berkeley Natl Lab, Climate & Ecosyst Sci Div, Berkeley, CA 94720 USA.
EM nryaseef@lbl.gov
RI Torn, Margaret/D-2305-2015;
OI Kneafsey, Timothy/0000-0002-3926-8587; Raz Yaseef,
Naama/0000-0002-7405-1607; Romanovsky, Vladimir/0000-0002-9515-2087
FU Office of Biological and Environmental Research in the DOE Office of
Science; Arctic Landscape Conservation Cooperative, U.S. Fish and
Wildlife Service [ALCC2012-07]
FX The Next-Generation Ecosystem Experiments (NGEE Arctic) project and the
Atmospheric Radiation Measurement Program are supported by the Office of
Biological and Environmental Research in the DOE Office of Science. Snow
depth and density were measured with the support of Arctic Landscape
Conservation Cooperative, U.S. Fish and Wildlife Service project
ALCC2012-07.
NR 44
TC 1
Z9 1
U1 3
U2 3
PU AMER GEOPHYSICAL UNION
PI WASHINGTON
PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA
SN 0094-8276
EI 1944-8007
J9 GEOPHYS RES LETT
JI Geophys. Res. Lett.
PD JAN
PY 2017
VL 44
IS 1
BP 504
EP 513
DI 10.1002/2016GL071220
PG 10
WC Geosciences, Multidisciplinary
SC Geology
GA EK5GM
UT WOS:000393954900058
ER
PT J
AU Korber, B
Hraber, P
Wagh, K
Hahn, BH
AF Korber, Bette
Hraber, Peter
Wagh, Kshitij
Hahn, Beatrice H.
TI Polyvalent vaccine approaches to combat HIV-1 diversity
SO IMMUNOLOGICAL REVIEWS
LA English
DT Review
DE AIDS; antibodies; antigens; peptides; epitopes; B cells; vaccination;
viral
ID HUMAN-IMMUNODEFICIENCY-VIRUS; BROADLY NEUTRALIZING ANTIBODIES; T-CELL
RESPONSES; RHESUS-MONKEYS; IMMUNE-RESPONSES; MOSAIC VACCINES;
ANTIRETROVIRAL THERAPY; POTENT NEUTRALIZATION; ENVELOPE GLYCOPROTEIN;
LYMPHOCYTE RESPONSES
AB A key unresolved challenge for developing an effective HIV-1 vaccine is the discovery of strategies to elicit immune responses that are able to cross-protect against a significant fraction of the diverse viruses that are circulating worldwide. Here, we summarize some of the immunological implications of HIV-1 diversity, and outline the rationale behind several polyvalent vaccine design strategies that are currently under evaluation. Vaccine-elicited T-cell responses, which contribute to the control of HIV-1 in natural infections, are currently being considered in both prevention and treatment settings. Approaches now in preclinical and human trials include full proteins in novel vectors, concatenated conserved protein regions, and polyvalent strategies that improve coverage of epitope diversity and enhance the cross-reactivity of responses. While many barriers to vaccine induction of broadly neutralizing antibody (bNAb) responses remain, epitope diversification has emerged as both a challenge and an opportunity. Recent longitudinal studies have traced the emergence of bNAbs in HIV-1 infection, inspiring novel approaches to recapitulate and accelerate the events that give rise to potent bNAb in vivo. In this review, we have selected two such lineage-based design strategies to illustrate how such in-depth analysis can offer conceptual improvements that may bring us closer to an effective vaccine.
C1 [Korber, Bette; Hraber, Peter; Wagh, Kshitij] Los Alamos Natl Lab, Theoret Biol & Biophys, T6,MS-K710, Los Alamos, NM 87544 USA.
[Korber, Bette] New Mexico Consortium, Los Alamos, NM USA.
[Hahn, Beatrice H.] Univ Penn, Dept Med, Philadelphia, PA 19104 USA.
[Hahn, Beatrice H.] Univ Penn, Dept Microbiol, Philadelphia, PA 19104 USA.
RP Korber, B (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophys, T6,MS-K710, Los Alamos, NM 87544 USA.
EM btk@lanl.gov
OI Hraber, Peter/0000-0002-2920-4897
FU NIH, NIAID, Division of AIDS, Duke Center for HIV/AIDS Vaccine
Immunology-Immunogen Discovery (CHAVI-ID) [UM-1-AI100645]
FX NIH, NIAID, Division of AIDS, Duke Center for HIV/AIDS Vaccine
Immunology-Immunogen Discovery (CHAVI-ID), Grant/Award Number:
UM-1-AI100645.
NR 90
TC 1
Z9 1
U1 1
U2 1
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0105-2896
EI 1600-065X
J9 IMMUNOL REV
JI Immunol. Rev.
PD JAN
PY 2017
VL 275
IS 1
BP 230
EP 244
DI 10.1111/imr.12516
PG 15
WC Immunology
SC Immunology
GA EK5LX
UT WOS:000393969000016
PM 28133800
ER
PT J
AU Schleife, A
Zhang, X
Li, Q
Erhart, P
Aberg, D
AF Schleife, Andre
Zhang, Xiao
Li, Qi
Erhart, Paul
Aberg, Daniel
TI Excitons in scintillator materials: Optical properties and
electron-energy loss spectra of NaI, LaBr3, BaI2, and SrI2
SO JOURNAL OF MATERIALS RESEARCH
LA English
DT Article
ID AUGMENTED-WAVE METHOD; NON-PROPORTIONALITY; BAND-STRUCTURES; DENSITY;
NONPROPORTIONALITY; LUMINESCENCE; ABSORPTION; DEPENDENCE; RESOLUTION;
SEARCH
AB Materials for scintillator radiation detectors need to fulfill a diverse set of requirements such as radiation hardness and highly specific response to incoming radiation, rendering them a target of current materials design efforts. Even though they are amenable to cutting-edge theoretical spectroscopy techniques, surprisingly many fundamental properties of scintillator materials are still unknown or not well explored. In this work, we use first-principles approaches to thoroughly study the optical properties of four scintillator materials: NaI, LaBr3, BaI2, and SrI2. By solving the Bethe-Salpeter equation for the optical polarization function we study the influence of excitonic effects on dielectric and electron-energy loss functions. This work sheds light into fundamental optical properties of these four scintillator materials and lays the ground-work for future work that is geared toward accurate modeling and computational materials design of advanced radiation detectors with unprecedented energy resolution.
C1 [Schleife, Andre] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA.
[Zhang, Xiao] Univ Illinois, Dept Mech Sci & Engn, Urbana, IL 61801 USA.
[Li, Qi] IBM TJ Watson Res Ctr, Div Phys Sci, Yorktown Hts, NY 10598 USA.
[Li, Qi] Univ Illinois, Dept Comp Sci, Urbana, IL 61801 USA.
[Erhart, Paul] Chalmers, Dept Appl Phys, SE-41296 Gothenburg, Sweden.
[Aberg, Daniel] Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA.
RP Schleife, A (reprint author), Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA.; Aberg, D (reprint author), Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA.
EM schleife@illinois.edu; aberg2@llnl.gov
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; National Nuclear Security Administration Office of
Nonproliferation Research and Development [NA-22]; National Science
Foundation [OCI-0725070, ACI-1238993]; state of Illinois
FX We acknowledge fruitful discussions with B. Sadigh and R. T. Williams.
Part of this work was performed under the auspices of the U.S.
Department of Energy by Lawrence Livermore National Laboratory under
Contract DE-AC52-07NA27344 with support from the National Nuclear
Security Administration Office of Nonproliferation Research and
Development (NA-22). This research is part of the Blue Waters
sustained-petascale computing project, which is supported by the
National Science Foundation (awards OCI-0725070 and ACI-1238993) and the
state of Illinois. Blue Waters is a joint effort of the University of
Illinois at Urbana-Champaign and its National Center for Supercomputing
Applications.
NR 65
TC 0
Z9 0
U1 5
U2 5
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0884-2914
EI 2044-5326
J9 J MATER RES
JI J. Mater. Res.
PD JAN
PY 2017
VL 32
IS 1
BP 56
EP 63
DI 10.1557/jmr.2016.395
PG 8
WC Materials Science, Multidisciplinary
SC Materials Science
GA EK4DW
UT WOS:000393878300006
ER
PT J
AU Khafizov, M
Chauhan, V
Wang, Y
Riyad, F
Hang, N
Hurley, DH
AF Khafizov, M.
Chauhan, V.
Wang, Y.
Riyad, F.
Hang, N.
Hurley, D. H.
TI Investigation of thermal transport in composites and ion beam irradiated
materials for nuclear energy applications
SO JOURNAL OF MATERIALS RESEARCH
LA English
DT Review
ID TIME-DOMAIN THERMOREFLECTANCE; SIC-MATRIX COMPOSITES; URANIUM-DIOXIDE;
FUEL PERFORMANCE; MOLECULAR-DYNAMICS; CONDUCTIVITY MODEL;
RADIATION-DAMAGE; GRAIN-BOUNDARIES; FISSION-GAS; THIN-FILMS
AB Thermal transport in materials used for energy applications is a physical process directly tied to performance and reliability. As a result, a great deal of effort has been devoted to understanding thermal transport in materials whose ability to conduct heat is critical. Here, our objective is to discuss the utility of laser-based thermoreflectance (TR) approaches that provide microscale measurement of thermal transport. We provide several examples that implement the TR technique to investigate thermal transport in materials used in nuclear energy applications. First, we discuss utility of this technique to measure thermal conductivity in ion irradiated ceramic materials during investigations where the primary objective is to understand the impact of radiation induced crystalline structure defects on thermal transport. We also present the capability of TR approach to resolve thermal conductivity of each layer in tristructural isotropic fuel, silicon carbide fiber composites, and 2nd phase precipitates in uranium silicide. Finally, the ability to measure interface thermal resistance between adjacent layers in composites is demonstrated.
C1 [Khafizov, M.; Chauhan, V.; Wang, Y.; Riyad, F.; Hang, N.] Ohio State Univ, Dept Mech & Aerosp Engn, Columbus, OH 43210 USA.
[Hurley, D. H.] Idaho Natl Lab, Dept Mat Sci & Engn, Idaho Falls, ID 83415 USA.
RP Khafizov, M (reprint author), Ohio State Univ, Dept Mech & Aerosp Engn, Columbus, OH 43210 USA.
EM khafizov.1@osu.edu
RI Khafizov, Marat/B-3744-2012
OI Khafizov, Marat/0000-0001-8171-3528
NR 88
TC 0
Z9 0
U1 2
U2 2
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0884-2914
EI 2044-5326
J9 J MATER RES
JI J. Mater. Res.
PD JAN
PY 2017
VL 32
IS 1
BP 204
EP 216
DI 10.1557/jmr.2016.421
PG 13
WC Materials Science, Multidisciplinary
SC Materials Science
GA EK4DW
UT WOS:000393878300017
ER
PT J
AU Tuttle, BR
Held, NJ
Lam, LH
Zhang, YY
Pantelides, ST
AF Tuttle, Blair R.
Held, Nathan J.
Lam, Lai Hin
Zhang, Yu-Yang
Pantelides, Sokrates T.
TI Properties of Hydrogenated Nanoporous SiC: An Ab Initio Study
SO JOURNAL OF NANOMATERIALS
LA English
DT Article
ID SILICON-CARBIDE MEMBRANES; AUGMENTED-WAVE METHOD; THIN-FILMS
AB Nanoporous silicon carbide is part of the important organosilicate class of low dielectric constant alloys. We report first- principles microscopic calculations of the properties of crystalline nanoporous SiCH systems. Properties examined include the density, pore size, dielectric constant, and strain moduli. We examined the relationship between the various properties and the amount of hydrogen in the material. In addition, the bonding topology is examined. The present results are compared with a variety of experiments.
C1 [Tuttle, Blair R.; Held, Nathan J.; Lam, Lai Hin] Penn State Behrend, Dept Phys, Erie, PA 16563 USA.
[Tuttle, Blair R.; Zhang, Yu-Yang; Pantelides, Sokrates T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA.
[Pantelides, Sokrates T.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Tuttle, BR (reprint author), Penn State Behrend, Dept Phys, Erie, PA 16563 USA.; Tuttle, BR (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA.
EM brt10@psu.edu
OI Zhang, Yu-Yang/0000-0002-9548-0021
FU NSF at Vanderbilt University [ECCS-1508898, RUI-DMR 1506403]
FX This research was funded by NSF Grant RUI-DMR 1506403 (Blair R. Tuttle,
Nathan J. Held, Lai Hin Lam) and by NSF Grant ECCS-1508898 at Vanderbilt
University. In addition, Lai Hin Lam thanks the Vanderbilt Physics REU
2016 programfor integrating him in the REU program during his stay at
Vanderbilt. This research was conducted using Advanced
CyberInfrastructure computational resources provided by The Institute
for CyberScience at The Pennsylvania State University
(https://ics.psu.edu/). The authors would like to thank Dr. Steve Valone
for his support during this project.
NR 24
TC 0
Z9 0
U1 2
U2 2
PU HINDAWI LTD
PI LONDON
PA ADAM HOUSE, 3RD FLR, 1 FITZROY SQ, LONDON, WIT 5HE, ENGLAND
SN 1687-4110
EI 1687-4129
J9 J NANOMATER
JI J. Nanomater.
PY 2017
AR 4705734
DI 10.1155/2017/4705734
PG 6
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
SC Science & Technology - Other Topics; Materials Science
GA EK6LU
UT WOS:000394036900001
ER
PT J
AU Kozyreva, A
Gilmer, M
Hirschi, R
Frohlich, C
Blinnikov, S
Wollaeger, RT
Noebauer, UM
van Rossum, DR
Heger, A
Even, WP
Waldman, R
Tolstov, A
Chatzopoulos, E
Sorokina, E
AF Kozyreva, Alexandra
Gilmer, Matthew
Hirschi, Raphael
Frohlich, Carla
Blinnikov, Sergey
Wollaeger, Ryan T.
Noebauer, Ulrich M.
van Rossum, Daniel R.
Heger, Alexander
Even, Wesley P.
Waldman, Roni
Tolstov, Alexey
Chatzopoulos, Emmanouil
Sorokina, Elena
TI Fast evolving pair-instability supernova models: evolution, explosion,
light curves
SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
LA English
DT Article
DE radiative transfer; stars: evolution; stars: massive; supernovae:
general; supernovae: individual: PTF12dam
ID CARLO RADIATION-HYDRODYNAMICS; POPULATION-III STARS; NEUTRINO
ENERGY-LOSS; EQUATION-OF-STATE; MASS-LOSS RATES; M-CIRCLE-DOT;
SUPERLUMINOUS SUPERNOVAE; IA SUPERNOVA; LUMINOUS SUPERNOVAE; STELLAR
PARAMETERS
AB With an increasing number of superluminous supernovae (SLSNe) discovered, the question of their origin remains open and causes heated debates in the supernova community. Currently, there are three proposed mechanisms for SLSNe: (1) pair-instability supernovae (PISNe), (2) magnetar-driven supernovae and (3) models in which the supernova ejecta interacts with a circumstellar material ejected before the explosion. Based on current observations of SLSNe, the PISN origin has been disfavoured for a number of reasons. Many PISN models provide overly broad light curves and too reddened spectra, because of massive ejecta and a high amount of nickel. In the current study, we re-examine PISN properties using progenitor models computed with the GENEC code. We calculate supernova explosions with FLASH and light-curve evolution with the radiation hydrodynamics code STELLA. We find that high-mass models (200 and 250 M-circle dot) at relatively high metallicity (Z = 0.001) do not retain hydrogen in the outer layers and produce relatively fast evolving PISNe Type I and might be suitable to explain some SLSNe. We also investigate uncertainties in light-curve modelling due to codes, opacities, the nickel-bubble effect and progenitor structure and composition.
C1 [Kozyreva, Alexandra] Tel Aviv Univ, Raymond & Beverly Sackler Sch Phys & Astron, IL-69978 Tel Aviv, Israel.
[Kozyreva, Alexandra; Hirschi, Raphael] Keele Univ, Astrophys Grp, Keele ST5 5BG, Staffs, England.
[Gilmer, Matthew; Frohlich, Carla] North Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA.
[Hirschi, Raphael; Blinnikov, Sergey; Tolstov, Alexey; Sorokina, Elena] Univ Tokyo, Tokyo Inst Adv Study, Kavli Inst Phys & Math Universe WPI, 5-1-5 Kashiwanoha, Kashiwa, Chiba 2778583, Japan.
[Blinnikov, Sergey; Sorokina, Elena] ITEP Kurchatov Inst, Moscow 117218, Russia.
[Blinnikov, Sergey] VNIIA, Moscow 127055, Russia.
[Wollaeger, Ryan T.; Even, Wesley P.] Los Alamos Natl Lab, Ctr Theoret Astrophys CCS 2, Los Alamos, NM 87544 USA.
[Noebauer, Ulrich M.] Max Planck Inst Astrophys, Karl Schwarzschild Str 1, D-85748 Garching, Germany.
[van Rossum, Daniel R.] Univ Chicago, Flash Ctr Computat Sci, Chicago, IL 60637 USA.
[Heger, Alexander] Monash Univ, Sch Phys & Astron, Monash Ctr Astrophys, Clayton, Vic 3800, Australia.
[Heger, Alexander] Shanghai Jiao Tong Univ, Dept Phys & Astron, Ctr Nucl Astrophys, Shanghai 200240, Peoples R China.
[Heger, Alexander] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA.
[Waldman, Roni] Hebrew Univ Jerusalem, Racah Inst Phys, IL-91904 Jerusalem, Israel.
[Chatzopoulos, Emmanouil] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA.
[Sorokina, Elena] Moscow MV Lomonosov State Univ, Sternberg Astron Inst, Moscow 119991, Russia.
RP Kozyreva, A (reprint author), Tel Aviv Univ, Raymond & Beverly Sackler Sch Phys & Astron, IL-69978 Tel Aviv, Israel.
EM a.kozyreva@keele.ac.uk
OI Even, Wesley/0000-0002-5412-3618
FU BIS National E-Infrastructure capital grant [ST/K000373/1]; STFC DiRAC
Operations grant [ST/K0003259/1]; EU-FP7-ERC-St Grant [306901];
Department of Energy through an Early Career Award (DOE grant)
[SC0010263]; Russian Science Foundation [14-12-00203]; National Nuclear
Security Administration of the US Department of Energy at Los Alamos
National Laboratory [DE-AC52-06NA25396]; German Research Foundation
(DFG) [TRR 33]; University of Chicago by the National Science Foundation
[AST-0909132, PHY-0822648, PHY-1430152]; ARC [FT120100363]; World
Premier International Research Center Initiative (WPI Initiative, MEXT,
Japan)
FX The STELLA simulations were particularly carried out on the DIRAC
Complexity system, operated by the University of Leicester IT Services,
which forms part of the STFC DiRAC HPC Facility (www.dirac.ac.uk). This
equipment is funded by BIS National E-Infrastructure capital grant
ST/K000373/1 and STFC DiRAC Operations grant ST/K0003259/1. DiRAC is
part of the National E-Infrastructure. AK and RH acknowledge support
from EU-FP7-ERC-2012-St Grant 306901. MG and CF acknowledge support from
the Department of Energy through an Early Career Award (DOE grant nno.
SC0010263). The work of SB on development of the STELLA code is
supported by a grant from the Russian Science Foundation (project number
14-12-00203). Work at LANL (WPE, RTW) was done under the auspices of the
National Nuclear Security Administration of the US Department of Energy
at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396.
All LANL calculations were performed on Institutional Computing
resources. UMN is supported by the Transregional Collaborative Research
Centre TRR 33 'The Dark Universe' of the German Research Foundation
(DFG). DRvR is supported in part at the University of Chicago by the
National Science Foundation under grants AST-0909132, PHY-0822648 (JINA,
Joint Institute for Nuclear Astrophysics) and PHY-1430152 (JINA-CEE,
Joint Institute for Nuclear Astrophysics). AH is supported by an ARC
Future Fellowship (FT120100363). AT is supported by the World Premier
International Research Center Initiative (WPI Initiative, MEXT, Japan).
EC is supported by Enrico Fermi Fellow. AK is grateful to Andrea
Cristini for proofreading the manuscript, Stuart Sim, Markus Kromer,
Stefan Taubenberger, Claes Fransson, Daniel Whalen, Luc Dessart and
Daniel Kasen for fruitful discussions and useful suggestions.
NR 112
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PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0035-8711
EI 1365-2966
J9 MON NOT R ASTRON SOC
JI Mon. Not. Roy. Astron. Soc.
PD JAN
PY 2017
VL 464
IS 3
BP 2854
EP 2865
DI 10.1093/mnras/stw2562
PG 12
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA EK0WK
UT WOS:000393647600028
ER
PT J
AU Beutler, F
Seo, HJ
Ross, AJ
McDonald, P
Saito, S
Bolton, AS
Brownstein, JR
Chuang, CH
Cuesta, AJ
Eisenstein, DJ
Font-Ribera, A
Grieb, JN
Hand, N
Kitaura, FS
Modi, C
Nichol, RC
Percival, WJ
Prada, F
Rodriguez-Torres, S
Roe, NA
Ross, NP
Salazar-Albornoz, S
Sanchez, AG
Schneider, DP
Slosar, A
Tinker, J
Tojeiro, R
Vargas-Magana, M
Vazquez, JA
AF Beutler, Florian
Seo, Hee-Jong
Ross, Ashley J.
McDonald, Patrick
Saito, Shun
Bolton, Adam S.
Brownstein, Joel R.
Chuang, Chia-Hsun
Cuesta, Antonio J.
Eisenstein, Daniel J.
Font-Ribera, Andreu
Grieb, Jan Niklas
Hand, Nick
Kitaura, Francisco-Shu
Modi, Chirag
Nichol, Robert C.
Percival, Will J.
Prada, Francisco
Rodriguez-Torres, Sergio
Roe, Natalie A.
Ross, Nicholas P.
Salazar-Albornoz, Salvador
Sanchez, Ariel G.
Schneider, Donald P.
Slosar, Anze
Tinker, Jeremy
Tojeiro, Rita
Vargas-Magana, Mariana
Vazquez, Jose A.
TI The clustering of galaxies in the completed SDSS-III Baryon Oscillation
Spectroscopic Survey: baryon acoustic oscillations in the Fourier space
SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
LA English
DT Article
DE gravitation; surveys; cosmological parameters; cosmology: observations;
dark energy; large-scale structure of Universe
ID DIGITAL SKY SURVEY; POWER-SPECTRUM ANALYSIS; PROBING DARK ENERGY; FINAL
DATA RELEASE; REDSHIFT SURVEYS; CENT DISTANCE; CMASS GALAXIES; SCALE;
RECONSTRUCTION; UNIVERSE
AB We analyse the baryon acoustic oscillation (BAO) signal of the final Baryon Oscillation Spectroscopic Survey (BOSS) data release (DR12). Our analysis is performed in the Fourier space, using the power spectrum monopole and quadrupole. The data set includes 1198 006 galaxies over the redshift range 0.2 < z < 0.75. We divide this data set into three (overlapping) redshift bins with the effective redshifts z(eff) = 0.38, 0.51 and 0.61. We demonstrate the reliability of our analysis pipeline using N-body simulations as well as similar to 1000 MultiDark-Patchy mock catalogues that mimic the BOSS-DR12 target selection. We apply density field reconstruction to enhance the BAO signal-to-noise ratio. By including the power spectrum quadrupole we can separate the line of sight and angular modes, which allows us to constrain the angular diameter distance D-A(z) and the Hubble parameter H(z) separately. We obtain two independent 1.6 and 1.5 per cent constraints on D-A(z) and 2.9 and 2.3 per cent constraints on H(z) for the low (z(eff) = 0.38) and high (z(eff) = 0.61) redshift bin, respectively. We obtain two independent 1 and 0.9 per cent constraints on the angular averaged distance D-V(z), when ignoring the Alcock-Paczynski effect. The detection significance of the BAO signal is of the order of 8 sigma (post-reconstruction) for each of the three redshift bins. Our results are in good agreement with the Planck prediction within Lambda cold dark matter. This paper is part of a set that analyses the final galaxy clustering data set from BOSS. The measurements and likelihoods presented here are combined with others in Alam et al. to produce the final cosmological constraints from BOSS.
C1 [Beutler, Florian; Nichol, Robert C.; Percival, Will J.] Univ Portsmouth, Inst Cosmol & Gravitat, Dennis Sciama Bldg, Portsmouth PO1 3FX, Hants, England.
[Beutler, Florian; McDonald, Patrick; Font-Ribera, Andreu; Roe, Natalie A.] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Seo, Hee-Jong] Ohio Univ, Dept Phys & Astron, Clippinger Labs 251B, Athens, OH 45701 USA.
[Ross, Ashley J.] Ohio State Univ, Dept Phys, 140 West 18th Ave, Columbus, OH 43210 USA.
[Saito, Shun; Font-Ribera, Andreu] Univ Tokyo, Inst Adv Study, Kavli Inst Phys & Math Universe WPI, Kashiwa, Chiba 2778583, Japan.
[Saito, Shun] Max Planck Inst Astrophys, Karl Schwarzschild Str 1, D-85740 Garching, Germany.
[Bolton, Adam S.; Brownstein, Joel R.] Univ Utah, Dept Phys & Astron, 115 South 1400 East, Salt Lake City, UT 84112 USA.
[Bolton, Adam S.] NOAA, 950 N Cherry Ave, Tucson, AZ 85719 USA.
[Chuang, Chia-Hsun; Prada, Francisco; Rodriguez-Torres, Sergio] Univ Autonoma Madrid, Inst Fis Teor, UAM, CSIC, E-28049 Madrid, Spain.
[Chuang, Chia-Hsun; Kitaura, Francisco-Shu] Leibniz Inst Astrophys Potsdam AIP, Sternwarte 16, D-14482 Potsdam, Germany.
[Cuesta, Antonio J.] Univ Barcelona IEEC UB, Inst Ciencies Cosmos ICCUB, Marti & Franques 1, E-08028 Barcelona, Spain.
[Eisenstein, Daniel J.] Harvard Smithsonian Ctr Astrophys, 60 Garden St, Cambridge, MA 02138 USA.
[Grieb, Jan Niklas; Salazar-Albornoz, Salvador] Ludwig Maximilians Univ Munchen, Univ Sternwarte Munchen, Scheinerstr 1, D-81679 Munich, Germany.
[Grieb, Jan Niklas; Salazar-Albornoz, Salvador; Sanchez, Ariel G.] Max Planck Inst Extraterr Phys, Postfach 1312,Giessenbachstr, D-85741 Garching, Germany.
[Hand, Nick] Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA.
[Modi, Chirag] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Prada, Francisco; Rodriguez-Torres, Sergio] CSIC, Campus Int Excellence UAM, E-28049 Madrid, Spain.
[Prada, Francisco] CSIC, Inst Astrofis Andalucia, E-18080 Granada, Spain.
[Ross, Nicholas P.] Univ Edinburgh, Royal Observ, Inst Astron, Edinburgh EH9 3HJ, Midlothian, Scotland.
[Schneider, Donald P.] Penn State Univ, Dept Astron & Astrophys, 525 Davey Lab, University Pk, PA 16802 USA.
[Schneider, Donald P.] Penn State Univ, Inst Gravitat & Cosmos, University Pk, PA 16802 USA.
[Slosar, Anze; Vazquez, Jose A.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Tinker, Jeremy] NYU, Dept Phys, Ctr Cosmol & Particle Phys, 4 Washington Pl, New York, NY 10003 USA.
[Tojeiro, Rita] Univ St Andrews, Sch Phys & Astron, St Andrews KY16 9SS, Fife, Scotland.
[Vargas-Magana, Mariana] Univ Nacl Autonoma Mexico, Inst Fis, Apdo Postal 20-364, Mexico City 04510, DF, Mexico.
RP Beutler, F (reprint author), Univ Portsmouth, Inst Cosmol & Gravitat, Dennis Sciama Bldg, Portsmouth PO1 3FX, Hants, England.; Beutler, F (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM florian.beutler@port.ac.uk
FU UK Space Agency [ST/N00180X/1]; Alfred P. Sloan Foundation; National
Science Foundation; US Department of Energy Office of Science;
University of Arizona; Brazilian Participation Group; Brookhaven
National Laboratory; 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; Office of Science of the US Department of Energy
[DE-AC02-05CH11231]; US Department of Energy, Office of Science, Office
of High Energy Physics [DE-SC0014329]; Spanish MICINNs
Consolider-Ingenio Programme [MultiDark CSD2009-00064]; MINECO Centro de
Excelencia Severo Ochoa Programme [SEV-2012-0249, AYA2014-60641-C2-1-P]
FX FB acknowledges support from the UK Space Agency through grant
ST/N00180X/1.; 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, 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.; This research used resources of the National Energy
Research Scientific Computing Center, which is supported by the Office
of Science of the US Department of Energy under Contract No.
DE-AC02-05CH11231.
NR 96
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PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0035-8711
EI 1365-2966
J9 MON NOT R ASTRON SOC
JI Mon. Not. Roy. Astron. Soc.
PD JAN
PY 2017
VL 464
IS 3
BP 3409
EP 3430
DI 10.1093/mnras/stw2373
PG 22
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA EK0WK
UT WOS:000393647600069
ER
PT J
AU Adebali, O
Zhulin, IB
AF Adebali, Ogun
Zhulin, Igor B.
TI Aquerium: A web application for comparative exploration of domain-based
protein occurrences on the taxonomically clustered genome tree
SO PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
LA English
DT Article
DE protein; domain architecture; genomic occurrence; taxonomy tree;
phylogenetic profile; genomic visualization
ID PHYLOGENETIC PROFILES; HOMOLOGY SEARCH; VISUALIZATION; EVOLUTION;
DATABASE; RECONSTRUCTION; ARCHITECTURE; SEQUENCES; SERVER
AB Gene duplication and loss are major driving forces in evolution. While many important genomic resources provide information on gene presence, there is a lack of tools giving equal importance to presence and absence information as well as web platforms enabling easy visual comparison of multiple domain-based protein occurrences at once. Here, we present Aquerium, a platform for visualizing genomic presence and absence of biomolecules with a focus on protein domain architectures. The web server offers advanced domain organization querying against the database of pre-computed domains for approximate to 26,000 organisms and it can be utilized for identification of evolutionary events, such as fusion, disassociation, duplication, and shuffling of protein domains. The tool also allows alternative inputs of custom entries or BLASTP results for visualization. Aquerium will be a useful tool for biologists who perform comparative genomic and evolutionary analyses. The web server is freely accessible at . Proteins 2016; 85:72-77. (c) 2016 Wiley Periodicals, Inc.
C1 [Adebali, Ogun; Zhulin, Igor B.] Univ Tennessee, UT ORNL Grad Sch Genome Sci & Technol, Knoxville, TN 37996 USA.
[Adebali, Ogun; Zhulin, Igor B.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA.
[Adebali, Ogun; Zhulin, Igor B.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37961 USA.
[Adebali, Ogun] Univ North Carolina Chapel Hill, Dept Biochem & Biophys, Chapel Hill, NC 27599 USA.
RP Adebali, O (reprint author), 1414 Cumberland Ave F437, Knoxville, TN 37996 USA.
EM oadebali@vols.utk.edu
OI Adebali, Ogun/0000-0001-9213-4070
FU National Institutes of Health [GM072285, DE024463]
FX Grant sponsor: National Institutes of Health; Grant numbers: GM072285
and DE024463 (to I.B.Z).
NR 27
TC 0
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U1 1
U2 1
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0887-3585
EI 1097-0134
J9 PROTEINS
JI Proteins
PD JAN
PY 2017
VL 85
IS 1
BP 72
EP 77
DI 10.1002/prot.25199
PG 6
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA EK1IH
UT WOS:000393678500009
PM 27802571
ER
PT J
AU Skaggs, MN
Hargather, MJ
Cooper, MA
AF Skaggs, M. N.
Hargather, M. J.
Cooper, M. A.
TI Characterizing pyrotechnic igniter output with high-speed schlieren
imaging
SO SHOCK WAVES
LA English
DT Article
DE Shock waves; Schlieren; High-speed imaging; Pyrotechnic
ID COMBUSTION; PROPAGATION; THERMITES; CHARGES; SIZE
AB Small-scale pyrotechnic igniter output has been characterized using a high-speed schlieren imaging system for observing critical features of the post-combustion flow. The diagnostic, with laser illumination, was successfully applied towards the quantitative characterization of the output from and pyrotechnic igniters. The high-speed image sequences showed shock motion, burned gas expansion, and particle motion. A statistical-based analysis methodology for tracking the full-field shock motion enabled straightforward comparisons across the experimental parameters of pyrotechnic material and initial density. This characterization of the mechanical energy of the shock front within the post-combustion environment is a necessary addition to the large body of literature focused on pyrotechnic combustion behavior within the powder bed. Ultimately, understanding the role that the combustion behavior has on the resulting multiphase environment is required for tailored igniter development and comparative performance assessments.
C1 [Skaggs, M. N.; Cooper, M. A.] Sandia Natl Labs, Explos Technol Grp, POB 5800, Albuquerque, NM 87185 USA.
[Hargather, M. J.] New Mexico Inst Technol, Shock & Gas Dynam Lab, 120 Weir Hall, Socorro, NM 87801 USA.
RP Skaggs, MN (reprint author), Sandia Natl Labs, Explos Technol Grp, POB 5800, Albuquerque, NM 87185 USA.
EM mnskagg@sandia.gov
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX The authors are especially grateful to Ian Kohl and Michael Oliver for
their guidance and assistance in conducting these experiments. The
significant contributions of Alex Tappan, Jill Miller, Duane Richardson,
Cody Love, Adam Sapp, Ryan Marinis, and Wayne Trott to different aspects
of the experiments are also gratefully acknowledged. The authors
appreciate the many helpful discussions with Bill Erikson. 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. Unlimited
release, SAND2014-4641J.
NR 39
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U1 1
U2 1
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0938-1287
EI 1432-2153
J9 SHOCK WAVES
JI Shock Waves
PD JAN
PY 2017
VL 27
IS 1
BP 15
EP 25
DI 10.1007/s00193-016-0640-5
PG 11
WC Mechanics
SC Mechanics
GA EK0SV
UT WOS:000393638300002
ER
PT J
AU Gebraad, P
Thomas, JJ
Ning, A
Fleming, P
Dykes, K
AF Gebraad, Pieter
Thomas, Jared J.
Ning, Andrew
Fleming, Paul
Dykes, Katherine
TI Maximization of the annual energy production of wind power plants by
optimization of layout and yaw-based wake control
SO WIND ENERGY
LA English
DT Article
DE wind plant optimization; wind turbine control; wind turbine wakes; wind
plant systems engineering
ID DESIGN
AB This paper presents a wind plant modeling and optimization tool that enables the maximization of wind plant annual energy production (AEP) using yaw-based wake steering control and layout changes. The tool is an extension of a wake engineering model describing the steady-state effects of yaw on wake velocity profiles and power productions of wind turbines in a wind plant. To make predictions of a wind plant's AEP, necessary extensions of the original wake model include coupling it with a detailed rotor model and a control policy for turbine blade pitch and rotor speed. This enables the prediction of power production with wake effects throughout a range of wind speeds. We use the tool to perform an example optimization study on a wind plant based on the Princess Amalia Wind Park. In this case study, combined optimization of layout and wake steering control increases AEP by 5%. The power gains from wake steering control are highest for region 1.5 inflow wind speeds, and they continue to be present to some extent for the above-rated inflow wind speeds. The results show that layout optimization and wake steering are complementary because significant AEP improvements can be achieved with wake steering in a wind plant layout that is already optimized to reduce wake losses. Copyright (C) 2016 John Wiley & Sons, Ltd.
C1 [Gebraad, Pieter; Fleming, Paul; Dykes, Katherine] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Thomas, Jared J.; Ning, Andrew] Brigham Young Univ, Provo, UT 84602 USA.
RP Dykes, K (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM katherine.dykes@nrel.gov
OI Ning, Andrew/0000-0003-2190-823X
FU US Department of Energy [DE-AC36-08GO28308]; National Renewable Energy
Laboratory; DOE Office of Energy Efficiency and Renewable Energy and
Wind and Water Power Technologies Office
FX This work was supported by the US Department of Energy under contract
no. DE-AC36-08GO28308 with the National Renewable Energy Laboratory.
Funding for the work was provided by the DOE Office of Energy Efficiency
and Renewable Energy and Wind and Water Power Technologies Office.
NR 24
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U1 5
U2 5
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1095-4244
EI 1099-1824
J9 WIND ENERGY
JI Wind Energy
PD JAN
PY 2017
VL 20
IS 1
BP 97
EP 107
DI 10.1002/we.1993
PG 11
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA EK1BW
UT WOS:000393661800007
ER
PT J
AU Richards, PW
Griffith, DT
Hodges, DH
AF Richards, Phillip W.
Griffith, D. Todd
Hodges, Dewey H.
TI Aeroelastic design of large wind turbine blades considering damage
tolerance
SO WIND ENERGY
LA English
DT Article
DE damage tolerance; wind energy; aeroelasticity; structural dynamics;
structural design
AB Modern offshore turbine blades can be designed for high fatigue life and damage tolerance to avoid excessive maintenance and therefore significantly reduce the overall cost of offshore wind power. An aeroelastic design strategy for large wind turbine blades is presented and demonstrated for a 100 m blade. High fidelity analysis techniques like 3D finite element modeling are used alongside beam models of wind turbine blades to characterize the resulting designs in terms of their aeroelastic performance as well as their ability to resist damage growth. This study considers a common damage type for wind turbine blades, the bond line failure, and explores the damage tolerance of the designs to gain insight into how to improve bond line failure through aeroelastic design. Flat-back airfoils are also explored to improve the damage tolerance performance of trailing-edge bond line failures. Copyright (C) 2016 John Wiley & Sons, Ltd.
C1 [Richards, Phillip W.; Hodges, Dewey H.] Georgia Inst Technol, Daniel Guggenheim Sch Aerosp Engn, Atlanta, GA 30332 USA.
[Griffith, D. Todd] Sandia Natl Labs, Albuquerque, NM 87123 USA.
RP Richards, PW (reprint author), SDI Engn Inc, Kirkland, WA 98033 USA.
EM prichards@sdi-eng.com
NR 27
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U1 4
U2 4
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1095-4244
EI 1099-1824
J9 WIND ENERGY
JI Wind Energy
PD JAN
PY 2017
VL 20
IS 1
BP 159
EP 170
DI 10.1002/we.1997
PG 12
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA EK1BW
UT WOS:000393661800011
ER
PT J
AU Poole, ZL
Ohodnicki, PR
Yan, AD
Lin, YK
Chen, KP
AF Poole, Zsolt L.
Ohodnicki, Paul R.
Yan, Aidong
Lin, Yuankun
Chen, Kevin P.
TI Potential to Detect Hydrogen Concentration Gradients with Palladium
Infused Mesoporous-Titania on D-Shaped Optical Fiber
SO ACS SENSORS
LA English
DT Article
DE Rayleigh backscatter; mesoporous film; palladium nanoparticles;
refractive index engineering; optical fiber sensing; hydrogen sensing;
gradient sensing; distributed sensing
ID SURFACE-PLASMON RESONANCE; OXIDE THIN-FILMS; GAS SENSORS; METAL;
CHEMIRESISTORS; GRATINGS
AB A distributed sensing capable high temperature D-shaped optical fiber modified with a palladium nanoparticle sensitized mesoporous (similar to 5 nm) TiO2 film, is demonstrated. The refractive index of the TiO2 film was reduced using block copolymer templating in order to realize a mesoporous matrix, accommodating integration with optical fiber. The constructed sensor was analyzed by performing direct transmission loss measurements, and by analyzing the behavior of an integrated fiber Bragg grating. The inscribed grating should reveal whether the refractive index of the composite film experiences changes upon exposure to hydrogen. In addition, with frequency domain reflectometry the distributed sensing potential of the developed sensor for hydrogen concentrations of up to 10% is examined. The results show the possibility of detecting chemical gradients with sub-cm resolution at temperatures greater than 500 degrees C.
C1 [Poole, Zsolt L.; Yan, Aidong; Chen, Kevin P.] Univ Pittsburgh, Dept Elect & Comp Engn, Pittsburgh, PA 15261 USA.
[Poole, Zsolt L.; Ohodnicki, Paul R.] Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA.
[Lin, Yuankun] Univ North Texas, Dept Phys, Denton, TX 76203 USA.
RP Poole, ZL (reprint author), Univ Pittsburgh, Dept Elect & Comp Engn, Pittsburgh, PA 15261 USA.; Poole, ZL (reprint author), Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA.
EM zsoltpoole@netl.doe.gov
FU National Science Foundation [CMMI-1054652, CMMI-1300273]; Department of
Energy [DE-FE0003859]; agency of the United States Government
FX This work was supported by the National Science Foundation
(CMMI-1054652, and CMMI-1300273) and the Department of Energy
(DE-FE0003859). 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 32
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U1 5
U2 5
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2379-3694
J9 ACS SENSORS
JI ACS Sens.
PD JAN
PY 2017
VL 2
IS 1
BP 87
EP 91
DI 10.1021/acssensors.6b00583
PG 5
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology
SC Chemistry; Science & Technology - Other Topics
GA EJ3CF
UT WOS:000393088300012
ER
PT J
AU Ji, XY
Page, RL
Chaudhuri, S
Liu, WJ
Yu, SY
Mohney, SE
Badding, JV
Gopalan, V
AF Ji, Xiaoyu
Page, Ryan L.
Chaudhuri, Subhasis
Liu, Wenjun
Yu, Shih-Ying
Mohney, Suzanne E.
Badding, John V.
Gopalan, Venkatraman
TI Single-Crystal Germanium Core Optoelectronic Fibers
SO ADVANCED OPTICAL MATERIALS
LA English
DT Article
ID MICROSTRUCTURED OPTICAL-FIBERS; GE PHOTODETECTORS; DRIFT MOBILITIES;
LIGHT-EMISSION; SILICON; SEMICONDUCTORS
AB Synthesis and fabrication of high-quality, small-core single-crystal germanium fibers that are photosensitive at the near-infrared and have low optical losses approximate to 1 dB cm(-1) at 2 mu m are reported. These fibers have potential applications in fiber-based spectroscopic imaging, nonlinear optical devices, and photo-detection at the telecommunication wavelengths.
C1 [Ji, Xiaoyu; Page, Ryan L.; Yu, Shih-Ying; Mohney, Suzanne E.; Badding, John V.; Gopalan, Venkatraman] Penn State Univ, Mat Res Inst, Dept Mat Sci & Engn, University Pk, PA 16802 USA.
[Chaudhuri, Subhasis; Badding, John V.] Penn State Univ, Dept Chem, University Pk, PA 16802 USA.
[Liu, Wenjun] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Badding, John V.] Penn State Univ, Dept Phys, 104 Davey Lab, University Pk, PA 16802 USA.
[Page, Ryan L.] Cornell Univ, Dept Mat Sci & Engn, Ithaca, NY 14850 USA.
RP Badding, JV; Gopalan, V (reprint author), Penn State Univ, Mat Res Inst, Dept Mat Sci & Engn, University Pk, PA 16802 USA.; Badding, JV (reprint author), Penn State Univ, Dept Chem, University Pk, PA 16802 USA.; Badding, JV (reprint author), Penn State Univ, Dept Phys, 104 Davey Lab, University Pk, PA 16802 USA.
EM jbadding@chem.psu.edu; vxg8@psu.edu
FU Penn State Materials Research Science and Engineering Center for
Nanoscale Science [DMR 1420620]; National Science Foundation [DMR
1460920]; Research Experiences for Undergraduates (REU); DAPRA PULSE
[1550650]; U.S. Department of Energy, Office of Science, Office of Basic
Energy Sciences [DE-AC02-06CH11357]
FX The authors acknowledge primary financial support from the Penn State
Materials Research Science and Engineering Center for Nanoscale Science,
Grant No. DMR 1420620, and R. Page also acknowledges funding support
from National Science Foundation Grant No. DMR 1460920 for Research
Experiences for Undergraduates (REU). S. Chaudhuri acknowledges funding
from DAPRA PULSE (1550650, MOD5). 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. X. Ji and
V. Gopalan would like to thank beamline 34-ID-E at the Advanced Photon
Source for providing the facilities for diffraction experiments. X. Ji
would also like to thank Dr. Ke Wang for help in the TEM
characterization, Dr. Katherine Crispin for performing the EPMA
measurements, Yuanxia Zheng for help in the electrical measurement, and
Hiu Yan Cheng and Stephen Aro for helpful discussions.
NR 37
TC 0
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U1 3
U2 3
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 2195-1071
J9 ADV OPT MATER
JI Adv. Opt. Mater.
PD JAN
PY 2017
VL 5
IS 1
DI 10.1002/adom.201600592
PG 7
WC Materials Science, Multidisciplinary; Optics
SC Materials Science; Optics
GA EJ4RD
UT WOS:000393203600005
ER
PT J
AU Heinemann, J
Noon, B
Willems, D
Budeski, K
Bothner, B
AF Heinemann, Joshua
Noon, Brigit
Willems, Daniel
Budeski, Katherine
Bothner, Brian
TI Analysis of raw biofluids by mass spectrometry using microfluidic
diffusion-based separation
SO ANALYTICAL METHODS
LA English
DT Article
ID ELECTROSPRAY-IONIZATION; SULFHYDRYL COMPOUNDS; ENERGY-METABOLISM;
OSCILLATIONS; GLUTATHIONE; METABOLOMICS; DISEASE; CELLS
AB Elucidation and monitoring of biomarkers continues to expand because of their medical value and potential to reduce healthcare costs. For example, biomarkers are used extensively to track physiology associated with drug addiction, disease progression, aging, and industrial processes. While longitudinal analyses are of great value from a biological or healthcare perspective, the cost associated with replicate analyses is preventing the expansion of frequent routine testing. Frequent testing could deepen our understanding of disease emergence and aid adoption of personalized healthcare. To address this need, we have developed a system for measuring metabolite abundance from raw biofluids. Using a metabolite extraction chip (MEC), based upon diffusive extraction of small molecules and metabolites from biofluids using microfluidics, we show that biologically relevant markers can be measured in blood and urine. Previously it was shown that the MEC could be used to track metabolic changes in real-time. We now demonstrate that the device can be adapted to high-throughput screening using standard liquid chromatography mass spectrometry instrumentation (LCMS). The results provide insight into the sensitivity of the system and its application for the analysis of human biofluids. Quantitative analysis of clinical predictors including nicotine, caffeine, and glutathione are described.
C1 [Heinemann, Joshua; Noon, Brigit; Willems, Daniel; Budeski, Katherine; Bothner, Brian] Montana State Univ, Dept Chem & Biochem, Bozeman, MT 59717 USA.
[Heinemann, Joshua] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Heinemann, Joshua] Joint Bioenergy Inst, Emeryville, CA 94608 USA.
RP Bothner, B (reprint author), Montana State Univ, Dept Chem & Biochem, Bozeman, MT 59717 USA.
EM bbothner@montana.edu
FU Murdock Charitable Trust; National Science Foundation [MCB 1022481];
National Institutes of Health (NIGMS) [P20GM103474]; Montana INBRE
FX The proteomics, metabolomics, and mass spectrometry facility at MSU
receives support from the Murdock Charitable Trust. The project
benefited from support by the Office or the Vice-President for Research
and Economic Development at MSU, the National Science Foundation MCB
1022481. KB and BN were supported by Montana INBRE which is supported
the National Institutes of Health (NIGMS) under Award Number
P20GM103474. The content is solely the responsibility of the authors and
does not necessarily represent the official views of the National
Institutes of Health.
NR 40
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U1 6
U2 6
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1759-9660
EI 1759-9679
J9 ANAL METHODS-UK
JI Anal. Methods
PY 2017
VL 9
IS 3
BP 385
EP 392
DI 10.1039/c6ay02827f
PG 8
WC Chemistry, Analytical; Food Science & Technology; Spectroscopy
SC Chemistry; Food Science & Technology; Spectroscopy
GA EJ3HE
UT WOS:000393102400003
ER
PT J
AU Masini, A
Comastri, A
Puccetti, S
Balokovic, M
Gandhi, P
Guainazzi, M
Bauer, FE
Boggs, SE
Boorman, PG
Brightman, M
Christensen, FE
Craig, WW
Farrah, D
Hailey, CJ
Harrison, FA
Koss, MJ
LaMassa, SM
Ricci, C
Stern, D
Walton, DJ
Zhang, WW
AF Masini, A.
Comastri, A.
Puccetti, S.
Balokovic, M.
Gandhi, P.
Guainazzi, M.
Bauer, F. E.
Boggs, S. E.
Boorman, P. G.
Brightman, M.
Christensen, F. E.
Craig, W. W.
Farrah, D.
Hailey, C. J.
Harrison, F. A.
Koss, M. J.
LaMassa, S. M.
Ricci, C.
Stern, D.
Walton, D. J.
Zhang, W. W.
TI The Phoenix galaxy as seen by NuSTAR
SO ASTRONOMY & ASTROPHYSICS
LA English
DT Article
DE galaxies: active; galaxies: Seyfert; X-rays: galaxies
ID ACTIVE GALACTIC NUCLEI; X-RAY-EMISSION; SEYFERT 2 GALAXIES; XMM-NEWTON;
AGN; REFLECTION; VARIABILITY; ABSORPTION; MRK-1210; MISSION
AB Aims. We study the long-term variability of the well-known Seyfert 2 galaxy Mrk 1210 (also known as UGC4203, or the Phoenix galaxy).
Methods. The source was observed by many X-ray facilities in the last 20 yr. Here we present a NuSTAR observation and put the results in the context of previously published observations.
Results. NuSTAR observed Mrk 1210 in 2012 for 15.4 ks. The source showed Compton-thin obscuration similar to that observed by Chandra, Suzaku, BeppoSAX and XMM-Newton over the past two decades, but different from the first observation by ASCA in 1995, in which the active nucleus was caught in a low flux state or was obscured by Compton-thick matter with a reflection-dominated spectrum. Thanks to the high-quality hard X-ray spectrum obtained with NuSTAR and exploiting the long-term spectral coverage spanning 16.9 yr, we can precisely disentangle the transmission and reflection components and put constraints on both the intrinsic long-term variability and hidden nucleus scenarios. In the former case, the distance between the reflector and the source must be at least similar to 2 pc, while in the latter the eclipsing cloud may be identified with a water maser-emitting clump.
C1 [Masini, A.; Comastri, A.] INAF, Osservatorio Astron Bologna, Via Ranzani 1, I-40127 Bologna, Italy.
[Masini, A.] Univ Bologna, Dipartimento Fis & Astron DIFA, Viale Berti Pichat 6-2, I-40127 Bologna, Italy.
[Puccetti, S.] ASDC ASI, Via Politecn, I-00133 Rome, Italy.
[Puccetti, S.] INAF, Osservatorio Astron Roma, Via Frascati 33, I-00040 Monte Porzio Catone, Italy.
[Balokovic, M.; Brightman, M.; Harrison, F. A.] CALTECH, Cahill Ctr Astron & Astrophys, Pasadena, CA 91125 USA.
[Gandhi, P.] Univ Durham, Dept Phys, Ctr Extragalact Astron, Durham DH1 3LE, England.
[Gandhi, P.] Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England.
[Guainazzi, M.] Inst Space & Astronaut Sci JAXA, 3-1-1 Yoshinodai, Sagamihara, Kanagawa 2525252, Japan.
[Guainazzi, M.] European Space Astron Ctr ESA, POB 78, Madrid 28691, Spain.
[Bauer, F. E.; Ricci, C.] Pontificia Univ Catolica Chile, Fac Fis, Inst Astrofis, Casilla 306, Santiago 22, Chile.
[Bauer, F. E.] Pontificia Univ Catolica Chile, Fac Fis, Ctr Astroingn, Casilla 306, Santiago 22, Chile.
[Bauer, F. E.] Millennium Inst Astrophys MAS, Nuncio Monsenor Sotero Sanz 100, Santiago, Chile.
[Bauer, F. E.; Ricci, C.] Space Sci Inst, 4750 Walnut St,Suite 205, Boulder, CO 80301 USA.
[Boggs, S. E.; Craig, W. W.] EMBIGGEN Anillo, Concepcion, Chile.
[Christensen, F. E.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA.
[Craig, W. W.] Tech Univ Denmark, DTU Space Natl Space Inst, Elektrovej 327, DK-2800 Lyngby, Denmark.
[Farrah, D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Hailey, C. J.] Virginia Tech, Dept Phys, Blacksburg, VA 24061 USA.
[Koss, M. J.] Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA.
[LaMassa, S. M.] ETH, Dept Phys, Inst Astron, Wolfgang Pauli Str 27, CH-8093 Zurich, Switzerland.
[Stern, D.; Walton, D. J.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA.
[Walton, D. J.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA.
[Zhang, W. W.] CALTECH, Space Radiat Lab, Pasadena, CA 91125 USA.
RP Masini, A (reprint author), INAF, Osservatorio Astron Bologna, Via Ranzani 1, I-40127 Bologna, Italy.; Masini, A (reprint author), Univ Bologna, Dipartimento Fis & Astron DIFA, Viale Berti Pichat 6-2, I-40127 Bologna, Italy.
EM alberto.masini4@unibo.it
FU NASA [NNG08FD60C]; National Aeronautics and Space Administration;
ASI/INAF [I/037/12/0-011/13]; NASA Headquarters under the NASA Earth and
Space Science Fellowship Program [NNX14AQ07H]; STFC [ST/J003697/2]; NASA
NuSTAR A01 Award [NNX15AV27G]; CONICYT-Chile [Basal-CATA PFB-06/2007];
FONDECYT [1141218]; "EMBIGGEN" Anillo [ACT1101]; China-CONICYT fund;
Ministry of Economy, Development; Tourism's Millennium Science
Initiative [IC120009]
FX We thank the anonymous referee for useful suggestions that helped to
improve the paper. This work was supported under NASA Contract
NNG08FD60C, and it made use of data from the NuSTAR mission, a project
led by the California Institute of Technology, managed by the Jet
Propulsion Laboratory, and funded by the National Aeronautics and Space
Administration. We thank the NuSTAR Operations, Software, and
Calibration teams for support with the execution and analysis of these
observations. This research made use of the NuSTAR Data Analysis
Software (NuSTARDAS) jointly developed by the ASI Science Data Center
(ASDC, Italy) and the California Institute of Technology (USA). This
research has also made use of data obtained from the Chandra Data
Archive and the Chandra Source Catalog, and software provided by the
Chandra X-ray Center (CXC). A.M., A.C., and S.P. acknowledge support
from the ASI/INAF grant I/037/12/0-011/13. M.B. acknowledges support
from NASA Headquarters under the NASA Earth and Space Science Fellowship
Program, grant NNX14AQ07H. P.G. and P.B. thank STFC for support (grant
ST/J003697/2). S.L.M. is supported by an appointment to the NASA
Postdoctoral Program at the NASA Goddard Space Flight Center,
administered by Universities Space Research Association under contract
with NASA. We acknowledge support from NASA NuSTAR A01 Award NNX15AV27G
(F.E.B.), CONICYT-Chile grants Basal-CATA PFB-06/2007 (F.E.B., C.R.),
FONDECYT Regular 1141218 (F.E.B., C.R.), "EMBIGGEN" Anillo ACT1101
(F.E.B., C.R.), the China-CONICYT fund (C.R.), and the Ministry of
Economy, Development, and Tourism's Millennium Science Initiative
through grant IC120009, awarded to The Millennium Institute of
Astrophysics, MAS (F.E.B.).
NR 40
TC 0
Z9 0
U1 4
U2 4
PU EDP SCIENCES S A
PI LES ULIS CEDEX A
PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A,
FRANCE
SN 1432-0746
J9 ASTRON ASTROPHYS
JI Astron. Astrophys.
PD JAN
PY 2017
VL 597
AR A100
DI 10.1051/0004-6361/201629444
PG 9
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA EI3LS
UT WOS:000392392900116
ER
PT J
AU Paris, I
Petitjean, P
Ross, NP
Myers, AD
Aubourg, E
Streblyanska, A
Bailey, S
Armengaud, E
Palanque-Delabrouille, N
Yeche, C
Hamann, F
Strauss, MA
Albareti, FD
Bovy, J
Bizyaev, D
Brandt, WN
Brusa, M
Buchner, J
Comparat, J
Croft, RAC
Dwelly, T
Fan, XH
Font-Ribera, A
Ge, J
Georgakakis, A
Hall, PB
Jiang, LH
Kinemuchi, K
Malanushenko, E
Malanushenko, V
McMahon, RG
Menzel, ML
Merloni, A
Nandra, K
Noterdaeme, P
Oravetz, D
Pan, KK
Pieri, MM
Prada, F
Salvato, M
Schlegel, DJ
Schneider, DP
Simmons, A
Viel, M
Weinberg, DH
Zhu, L
AF Paris, Isabelle
Petitjean, Patrick
Ross, Nicholas P.
Myers, Adam D.
Aubourg, Eric
Streblyanska, Alina
Bailey, Stephen
Armengaud, Eric
Palanque-Delabrouille, Nathalie
Yeche, Christophe
Hamann, Fred
Strauss, Michael A.
Albareti, Franco D.
Bovy, Jo
Bizyaev, Dmitry
Brandt, W. Niel
Brusa, Marcella
Buchner, Johannes
Comparat, Johan
Croft, Rupert A. C.
Dwelly, Tom
Fan, Xiaohui
Font-Ribera, Andreu
Ge, Jian
Georgakakis, Antonis
Hall, Patrick B.
Jiang, Linhua
Kinemuchi, Karen
Malanushenko, Elena
Malanushenko, Viktor
McMahon, Richard G.
Menzel, Marie-Luise
Merloni, Andrea
Nandra, Kirpal
Noterdaeme, Pasquier
Oravetz, Daniel
Pan, Kaike
Pieri, Matthew M.
Prada, Francisco
Salvato, Mara
Schlegel, David J.
Schneider, Donald P.
Simmons, Audrey
Viel, Matteo
Weinberg, David H.
Zhu, Liu
TI The Sloan Digital Sky Survey Quasar Catalog: Twelfth data release
SO ASTRONOMY & ASTROPHYSICS
LA English
DT Article
DE catalogs; surveys; quasars: general
ID OSCILLATION SPECTROSCOPIC SURVEY; BROAD ABSORPTION-LINE; BARYON
ACOUSTIC-OSCILLATIONS; EFFICIENT PHOTOMETRIC SELECTION;
INTERMEDIATE-REDSHIFT QUASARS; INFRARED-SURVEY-EXPLORER; 10TH DATA
RELEASE; 9TH DATA RELEASE; SDSS-III; LUMINOSITY FUNCTION
AB We present the Data Release 12 Quasar catalog (DR12Q) from the Baryon Oscillation Spectroscopic Survey (BOSS) of the Sloan Digital Sky Survey III. This catalog includes all SDSS-III /BOSS objects that were spectroscopically targeted as quasar candidates during the full survey and that are confirmed as quasars via visual inspection of the spectra, have luminosities Mi[z = 2] < -20.5 (in a Lambda CDM cosmology with H-0 = 70 km s (1) Mpc (1), Omega(M) = 0 : 3, and Omega(A) = 0.7), and either display at least one emission line with a full width at half maximum (FWHM) larger than 500 km s (1) or, if not, have interesting /complex absorption features. The catalog also includes previously known quasars (mostly from SDSS-I and II) that were reobserved by BOSS. The catalog contains 297 301 quasars (272 026 are new discoveries since the beginning of SDSSIII) detected over 9376 deg(2) with robust identification and redshift measured by a combination of principal component eigenspectra. The number of quasars with z > 2.15 (184 101, of which 167 742 are new discoveries) is about an order of magnitude greater than the number of z > 2 : 15 quasars known prior to BOSS. Redshifts and FWHMs are provided for the strongest emission lines (C iv, C III], Mg II). The catalog identifies 29 580 broad absorption line quasars and lists their characteristics. For each object, the catalog presents five-band (u, g, r, i, z) CCD-based photometry with typical accuracy of 0.03 mag together with some information on the optical morphology and the selection criteria. When available, the catalog also provides information on the optical variability of quasars using SDSS and Palomar Transient Factory multi-epoch photometry. The catalog also contains X-ray, ultraviolet, near-infrared, and radio emission properties of the quasars, when available, from other large-area surveys. The calibrated digital spectra, covering the wavelength region 3600-10 500 a at a spectral resolution in the range 1300 < R < 2500, can be retrieved from the SDSS Catalog Archive Server. We also provide a supplemental list of an additional 4841 quasars that have been identified serendipitously outside of the superset defined to derive the main quasar catalog.
C1 [Paris, Isabelle] INAF, Osservatorio Astron Trieste, Via GB Tiepolo 11, I-34131 Trieste, Italy.
[Paris, Isabelle; Pieri, Matthew M.] Aix Marseille Univ, LAM, CNRS, UMR 7326, F-13388 Marseille, France.
[Petitjean, Patrick; Noterdaeme, Pasquier] UPMC CNRS, UMR 7095, Inst Astrophys Paris, F-75014 Paris, France.
[Ross, Nicholas P.] Drexel Univ, Dept Phys, 3141 Chestnut St, Philadelphia, PA 19104 USA.
[Ross, Nicholas P.] Univ Edinburgh, Royal Observ, SUPA, Inst Astron, Edinburgh EH9 3HJ, Midlothian, Scotland.
[Myers, Adam D.] Univ Wyoming, Dept Phys & Astron, Laramie, WY 82071 USA.
[Myers, Adam D.] Max Planck Inst Astron, Konigstuhl 17, D-69117 Heidelberg, Germany.
[Aubourg, Eric] Univ Paris Diderot, Sorbonne Paris Cite, Observat Paris, APC,Astroparticule & Cosmol,CNRS IN2P3,CEA Irfu, 10 Rue Alice Domon & Leonie Duquet, F-75205 Paris 13, France.
[Streblyanska, Alina] IAC, Tenerife 38200, Spain.
[Streblyanska, Alina] ULL, Dept Astrofis, Tenerife 38206, Spain.
[Bailey, Stephen] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Armengaud, Eric; Palanque-Delabrouille, Nathalie; Yeche, Christophe] CEA, Ctr Saclay, Irfu SPP, F-91191 Gif Sur Yvette, France.
[Hamann, Fred] Univ Florida, Dept Astron, Gainesville, FL 32611 USA.
[Strauss, Michael A.] Princeton Univ Observ, Peyton Hall, Princeton, NJ 08544 USA.
[Albareti, Franco D.] Univ Autonoma Madrid, UAM CSIC, Inst Fis Teor, E-28049 Madrid, Spain.
[Bovy, Jo] Univ Toronto, Dept Astron & Astrophys, 50 St George St, Toronto, ON M5S 3H4, Canada.
[Bizyaev, Dmitry; Kinemuchi, Karen; Malanushenko, Elena; Malanushenko, Viktor; Oravetz, Daniel; Pan, Kaike; Simmons, Audrey] Apache Point Observ, POB 59, Sunspot, NM 88349 USA.
[Bizyaev, Dmitry; Kinemuchi, Karen; Malanushenko, Elena; Malanushenko, Viktor; Oravetz, Daniel; Pan, Kaike; Simmons, Audrey] Mexico State Univ, POB 59, Sunspot, NM 88349 USA.
[Bizyaev, Dmitry] Moscow MV Lomonosov State Univ, Sternberg Astron Inst, Moscow, Russia.
[Brandt, W. Niel] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA.
[Brandt, W. Niel] Penn State Univ, Inst Gravitat & Cosmos, University Pk, PA 16802 USA.
[Brandt, W. Niel] Penn State Univ, Dept Phys, 104 Davey Lab, University Pk, PA 16802 USA.
[Brusa, Marcella] Univ Bologna, Dipartimento Fis & Astron, Viale Berti Pichat 6-2, I-40127 Bologna, Italy.
[Brusa, Marcella] INAF, Osservatorio Astron Bologna, Via Ranzani 1, I-40127 Bologna, Italy.
[Buchner, Johannes; Dwelly, Tom; Georgakakis, Antonis; Menzel, Marie-Luise; Merloni, Andrea; Nandra, Kirpal] Max Planck Inst Extraterr Phys, Giessenbach Str 1, D-85741 Garching, Germany.
[Croft, Rupert A. C.] Carnegie Mellon Univ, Dept Phys, McWilliams Ctr Cosmol, Pittsburgh, PA 15213 USA.
[Fan, Xiaohui] Univ Arizona, Steward Observ, Tucson, AZ 85750 USA.
[Hall, Patrick B.] York Univ, Dept Phys & Astron, 4700 Keele St, Toronto, ON M3J 1P3, Canada.
[Jiang, Linhua] Peking Univ, Kavli Inst Astron & Astrophys, Beijing 100871, Peoples R China.
[McMahon, Richard G.] Univ Cambridge, Inst Astron, Madingley Rd, Cambridge CB3 0HA, England.
[McMahon, Richard G.] Univ Cambridge, Kavli Inst Cosmol, Madingley Rd, Cambridge CB3 0HA, England.
[Prada, Francisco] UAM CSIC, Campus Int Excellence, Madrid 28049, Spain.
[Viel, Matteo] CSIC, Inst Astrofis Andalucia, Granada 18080, Spain.
[Weinberg, David H.] INFN Natl Inst Nucl Phys, Via Valerio 2, I-34127 Trieste, Italy.
[Zhu, Liu] Ohio State Univ, Dept Astron & CCAPP, Columbus, OH 43201 USA.
RP Paris, I (reprint author), INAF, Osservatorio Astron Trieste, Via GB Tiepolo 11, I-34131 Trieste, Italy.; Paris, I (reprint author), Aix Marseille Univ, LAM, CNRS, UMR 7326, F-13388 Marseille, France.
EM isabelle.paris@lam.fr
OI Georgakakis, Antonis/0000-0002-3514-2442
FU PRIN INAF; "Investissements d'Avenir" French Government
[ANR-11-IDEX-0001-02]; Agence Nationale de la Recherche
[ANR-08-BLAN-0222, ANR-12-BS05-0015]; NASA ADAP [NNX12AE38G]; NSF
[1211112, 1515404, AST-1516784]; Alfred P. Sloan Foundation; National
Science Foundation; US Department of Energy Office of Science;
University of Arizona; Brazilian Participation Group; Brookhaven
National Laboratory; 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; National Aeronautics and Space Administration; Office
of Science of the US Department of Energy [DE-AC02-05CH11231]
FX I.P. was supported by PRIN INAF 2012 "The X-Shooter sample of 100 quasar
spectra at z-3.5:Digging into cosmology and galaxy evolution with quasar
absorption lines". This work has been carried out thanks to the support
of the A*MIDEX project (ANR-11-IDEX-0001-02) funded by the
"Investissements d'Avenir" French Government program, managed by the
French National Research Agency (ANR). The French Participation Group to
SDSS-III was supported by the Agence Nationale de la Recherche under
contracts ANR-08-BLAN-0222 and ANR-12-BS05-0015. A.D.M was partially
supported by NASA ADAP award NNX12AE38G and by NSF awards 1211112 and
1515404. W.N.B. was supported by NSF grant AST-1516784. I.P. thanks S.
Twain, D. Hoff, D. Dintei and Brian A. J. Richardson for their inspiring
contribution to this work. 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, 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. AllWISE makes use of data from WISE, which is a joint
project of the University of California, Los Angeles, and the Jet
Propulsion Laboratory/California Institute of Technology, and NEOWISE,
which is a project of the Jet Propulsion Laboratory/California Institute
of Technology. WISE and NEOWISE are funded by the National Aeronautics
and Space Administration. This research used resources of the National
Energy Research Scientific Computing Center, a DOE Office of Science
User Facility supported by the Office of Science of the US Department of
Energy under Contract No. DE-AC02-05CH11231.
NR 98
TC 3
Z9 3
U1 2
U2 2
PU EDP SCIENCES S A
PI LES ULIS CEDEX A
PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A,
FRANCE
SN 1432-0746
J9 ASTRON ASTROPHYS
JI Astron. Astrophys.
PD JAN
PY 2017
VL 597
AR A79
DI 10.1051/0004-6361/201527999
PG 25
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA EI3LS
UT WOS:000392392900025
ER
EF