FN Thomson Reuters Web of Science™
VR 1.0
PT S
AU Buss, JH
Smith, RP
Coslovich, G
Kaindl, RA
AF Buss, J. H.
Smith, R. P.
Coslovich, G.
Kaindl, R. A.
BE Betz, M
Elezzabi, AY
Tsen, KT
TI Broadband Transient THz Conductivity of the Transition-Metal
Dichalcogenide MoS2
SO ULTRAFAST PHENOMENA AND NANOPHOTONICS XIX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Ultrafast Phenomena and Nanophotonics XIX
CY FEB 08-11, 2015
CL San Francisco, CA
SP SPIE, FEMTOLASERS Produkt GmbH
DE ultrafast dynamics; THz spectroscopy; electron-hole pairs; many-particle
interactions; non-equilibrium charge transport; transition-metal
dichalcogenides; molybdenum disulfide; MoS2
ID INSULATOR-TRANSITION; HETEROSTRUCTURES; TRANSISTORS; CRYSTALS
AB The transient dynamics of transition-metal dichalcogenides is of significant interest for clarifying fundamental many-particle interactions at the nanoscale as well as for novel applications. We report an ultrafast terahertz study up to 7 THz of the lamellar semiconductor MoS2 to access the non-equilibrium conductivity of photo-excited indirect e-h pairs in this multi-layered parent compound. While the equilibrium transport is Drude-like, near-IR optical excitation results in a complex photo-induced conductivity that consists of two components. Mobile charge carriers dominate the low frequency response below 2 THz, while at low temperatures an additional excess conductivity is observed that is enhanced around 4 THz. Two time scales appear in the dynamics: a slow ns relaxation due to non-radiative recombination and a faster sub-100 ps decay connected to the high-frequency THz feature. We discuss the broad THz peak within a model of intra-excitonic transitions in MoS2. It agrees well with the expected binding energy and oscillator strength, yet results in an anomalous temperature dependence of the exciton fraction requiring an electronically inhomogeneous phase.
C1 [Buss, J. H.; Smith, R. P.; Coslovich, G.; Kaindl, R. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Buss, JH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
NR 23
TC 0
Z9 0
U1 5
U2 18
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-451-6
J9 PROC SPIE
PY 2015
VL 9361
AR 93611J
DI 10.1117/12.2080748
PG 7
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BC6OW
UT WOS:000354276800020
ER
PT S
AU Coslovich, G
Behl, S
Huber, B
Bechtel, HA
Sasagawa, T
Martin, MC
Kaindl, RA
AF Coslovich, G.
Behl, S.
Huber, B.
Bechtel, H. A.
Sasagawa, T.
Martin, M. C.
Kaindl, R. A.
BE Betz, M
Elezzabi, AY
Tsen, KT
TI Nanoscale Charge-order Dynamics in Stripe-phase Nickelates Probed via
Ultrafast THz Spectroscopy
SO ULTRAFAST PHENOMENA AND NANOPHOTONICS XIX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Ultrafast Phenomena and Nanophotonics XIX
CY FEB 08-11, 2015
CL San Francisco, CA
SP SPIE, FEMTOLASERS Produkt GmbH
DE ultrafast dynamics; nickelate; THz spectroscopy; pseudogap; phonon
dynamics; charge order; stripes
ID SUPERCONDUCTIVITY; PSEUDOGAP
AB We discuss equilibrium and ultrafast optical pump-THz probe spectroscopy of the model stripe-ordered system La1.75Sr0.25NiO4. We present a multi-oscillator analysis of the phonon bending mode splitting observed at low temperatures in equilibrium, along with a variational model for the transient THz reflectivity variations. The low temperature splitting is directly related to the formation of the long-range stripe-order, while the background conductivity is reminiscent of the opening of the mid-IR pseudogap. Ultrafast experiments in the multi-THz spectral range show strong THz reflectivity variations around the phonon bending mode frequency (approximate to 11 THz).
C1 [Coslovich, G.; Behl, S.; Huber, B.; Kaindl, R. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.
[Bechtel, H. A.; Martin, M. C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Sasagawa, T.] Tokyo Inst Technol, Mat & Struct Lab, Kanagawa 2268503, Japan.
RP Coslovich, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.
EM GCoslovich@lbl.gov
RI Sasagawa, Takao/E-6666-2014
OI Sasagawa, Takao/0000-0003-0149-6696
NR 14
TC 0
Z9 0
U1 0
U2 8
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-451-6
J9 PROC SPIE
PY 2015
VL 9361
AR 93611F
DI 10.1117/12.2080724
PG 6
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BC6OW
UT WOS:000354276800019
ER
PT J
AU Moon, S
Zhang, XS
Gao, J
Fezzaa, K
Dinfresne, E
Wang, J
Xie, XB
Wang, FK
Lai, MC
AF Moon, Seoksu
Zhang, Xusheng
Gao, Jian
Fezzaa, Kamel
Dinfresne, Eric
Wang, Jin
Xie, Xingbin
Wang, Fengkun
Lai, Ming-Chia
TI MORPHOLOGICAL EXPLORATION OF EMERGING JET FLOWS FROM MULTI-HOLE DIESEL
INJECTORS AT DIFFERENT NEEDLE LIFTS
SO ATOMIZATION AND SPRAYS
LA English
DT Article
DE multi-hole nozzle; multi-orifice injector; needle lift; liquid fuel jet;
X-ray phase-contrast imaging
ID VORTEX FLOW; LIQUID-JET; CAVITATION; PRESSURE; DYNAMICS
AB The current study takes a morphological approach to interpret the emerging jet flows from multi-hole diesel injectors. Several types of multi-hole injectors, a six-hole injector and two two-hole injectors with different needle control mechanisms, were used to investigate the emerging jet flows and related flow breakup at different needle lifts. A short X-ray pulse with 150 ps duration was used to visualize the near-field morphologies of the emerging jet flows using an ultrafast X-ray phase-contrast imaging technique. A few X-ray pulses with 68 ns periodicity were also used to analyze the dynamics of the emerging jet flows by tracking the movement of the structures inside the spray. At first, the effects of needle lift on emerging flow pattern and breakup were investigated using a six-hole injector under practical injection conditions. A highly expanding spray was observed at the low needle lifts. The degree of flow expansion was however suppressed with an increase in the needle lift. The higher degree of flow expansion at the low needle lifts promoted the flow breakup and increased the spray deceleration rate with an increase in the axial distance. Then, a detailed morphological study of the emerging flows was performed using two-hole nozzles under low injection pressures to slow down the flow breakup in order to figure out the intrinsic nature of the emerging flows associated with the nozzle internal flow. The phase-contrast images revealed clear morphologies of several branching flows inside the spray having different flowing directions and stretching the spray three-dimensionally that originate from complex nozzle internal flow pattern. The degree of flow expansion associated with the branching flows appeared differently with the needle lift with formation of various flow structures: cone shaped, stretched thin, and cylindrical. At certain needle lifts, the branching flows sometimes formed a couple of microwavelets inside the spray having different instability frequencies, indicating different origins of each flow associated with nozzle internal flow. Increasing ambient gas density did not alter the branching characteristics of the flows significantly, while increasing injection pressure and reducing the fuel viscosity significantly altered the branching flow characteristics.
C1 [Moon, Seoksu] Natl Inst Adv Ind Sci & Technol, Energy Technol Res Inst, Tsukuba, Ibaraki, Japan.
[Moon, Seoksu; Zhang, Xusheng; Gao, Jian; Fezzaa, Kamel; Dinfresne, Eric; Wang, Jin] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Zhang, Xusheng] Shanghai Maritime Univ, Merchant Marine Coll, Shanghai, Peoples R China.
[Gao, Jian] Gen Motors Global Res & Dev, Propuls Syst Res Lab, Warren, MI USA.
[Xie, Xingbin; Wang, Fengkun; Lai, Ming-Chia] Wayne State Univ, Dept Mech Engn, Detroit, MI 48202 USA.
RP Moon, S (reprint author), Natl Inst Adv Ind Sci & Technol, Energy Technol Res Inst, Tsukuba, Ibaraki, Japan.
EM ss.moon@aist.go.jp
FU U.S. Department of Energy (DOE), Office of Science/Basic Energy Science
and Energy Efficiency and Renewable Energy/Vehicle Technology; Ministry
of Economy, Industry, and Trade (METI) of Japan as a part of Japan-U.S.
cooperation project for research and standardization of Clean Energy
Technologies; DOE in the United States; METI in Japan; Deere Company
FX This work and the use of the APS were supported by U.S. Department of
Energy (DOE), Office of Science/Basic Energy Science and Energy
Efficiency and Renewable Energy/Vehicle Technology. This work was also
partially supported by the Ministry of Economy, Industry, and Trade
(METI) of Japan as a part of Japan-U.S. cooperation project for research
and standardization of Clean Energy Technologies. The authors thank the
DOE in the United States and METI in Japan for financial support, as
well as Deere & Company, and Dr. Richard Windsor of John Deere, for
hardware support.
NR 18
TC 7
Z9 7
U1 3
U2 6
PU BEGELL HOUSE INC
PI DANBURY
PA 50 NORTH ST, DANBURY, CT 06810 USA
SN 1044-5110
EI 1936-2684
J9 ATOMIZATION SPRAY
JI Atom. Sprays
PY 2015
VL 25
IS 5
BP 375
EP 396
PG 22
WC Engineering, Multidisciplinary; Engineering, Chemical; Engineering,
Mechanical; Materials Science, Multidisciplinary; Physics, Applied
SC Engineering; Materials Science; Physics
GA CH3LU
UT WOS:000353933000002
ER
PT J
AU Pickett, LM
Genzale, CL
Manin, J
AF Pickett, L. M.
Genzale, C. L.
Manin, J.
TI UNCERTAINTY QUANTIFICATION FOR LIQUID PENETRATION OF EVAPORATING SPRAYS
AT DIESEL-LIKE CONDITIONS
SO ATOMIZATION AND SPRAYS
LA English
DT Article
DE diesel sprays; evaporation; liquid length; extinction; light scatter
ID ENGINE; BEHAVIOR
AB Seeking to quantify the liquid volume fraction at the measured liquid penetration length for more forthright comparison to CFD results, we compared 10 different light-scatter and extinction diagnostics for measurement of the "liquid length" of an evaporating diesel spray. Results show that light-scatter imaging is sensitive to the orientation of the illumination source, producing different maximum intensity locations depending on the optical setup. However, the scattered intensity from different setups can be normalized to provide similar liquid length values if the appropriate reference intensity is known. Light-extinction diagnostics are more quantitative because of a built-in reference light intensity, but can be sensitive to beam-steering effects due to refractive index gradients. The most quantitative diagnostic in this study is a small laser beam with large collection optics to accommodate beam steering. Using a liquid length defined based on 3% of the maximum scatter intensity and the measured optical thickness at this same axial location, we estimate an expected range of liquid volume fraction at this position for the "spray A" conditions of the Engine Combustion Network. Even though there is a possibility that this condition has supercritical mixtures where distinct droplets do not exist, we apply Mie scatter theory with a range of droplet diameters (0.1-10 mu m) to mimic how light may scatter at liquid surfaces where density gradients remain sharp and light effectively scatters as if there were a gas-liquid interface. With a measured liquid path length of 1.4 mm, the upper-bound estimate for the path-length-averaged liquid volume fraction is 0.15%.
C1 [Pickett, L. M.; Manin, J.] Sandia Natl Labs, Livermore, CA 94551 USA.
[Genzale, C. L.] Georgia Inst Technol, Atlanta, GA 30332 USA.
RP Pickett, LM (reprint author), Sandia Natl Labs, POB 969,MS9053, Livermore, CA 94551 USA.
EM LMPicke@sandia.gov
FU U.S. Department of Energy, Office of Vehicle Technologies; United States
Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX Support for this research was provided by the U.S. Department of Energy,
Office of Vehicle Technologies. The research at Sandia National
Laboratories was performed at the Combustion Research Facility,
Livermore, California. Sandia is a multiprogram laboratory operated by
Sandia Corporation, a Lockheed Martin Company, for the United States
Department of Energy's National Nuclear Security Administration under
Contract No. DE-AC04-94AL85000.
NR 32
TC 2
Z9 2
U1 2
U2 7
PU BEGELL HOUSE INC
PI DANBURY
PA 50 NORTH ST, DANBURY, CT 06810 USA
SN 1044-5110
EI 1936-2684
J9 ATOMIZATION SPRAY
JI Atom. Sprays
PY 2015
VL 25
IS 5
BP 425
EP 452
PG 28
WC Engineering, Multidisciplinary; Engineering, Chemical; Engineering,
Mechanical; Materials Science, Multidisciplinary; Physics, Applied
SC Engineering; Materials Science; Physics
GA CH3LU
UT WOS:000353933000004
ER
PT J
AU Battistoni, M
Duke, DJ
Swantek, AB
Tilocco, FZ
Powell, CF
Som, S
AF Battistoni, Michele
Duke, Daniel J.
Swantek, Andrew B.
Tilocco, F. Zak
Powell, Christopher F.
Som, Sibendu
TI EFFECTS OF NONCONDENSABLE GAS ON CAVITATING NOZZLES
SO ATOMIZATION AND SPRAYS
LA English
DT Article
DE injector nozzle flow; cavitation; noncondensable gas; mixture model
ID DIESEL INJECTOR NOZZLES; RELAXATION MODEL; FLOW; SIMULATION
AB This paper focuses on the analysis of low-pressure regions inside fuel injector nozzles, where fuel vapor formation (strictly referred to as cavitation, or vaporous cavitation) and expansion of noncondensable gas (also referred to as pseudo cavitation, or gaseous cavitation) can simultaneously occur. Recently, X-ray radiography experiments of a 500 pin diameter cavitating nozzle showed that the presence of dissolved gas in the fuel can cause significant changes in the apparent distribution of projected void fraction. In this article, the effect of dissolved gas on cavitation measurements is investigated in further detail through experimentation and numerical simulations. Test conditions have been selected to have highly cavitating conditions. Tests with a standard gasoline calibration fluid and equivalent degassed fluid are compared and discussed. Numerical simulations have been conducted under the same conditions as the radiography experiments. The primary goal of the study is a quantification of the separate contributions of gas expansion as opposed to actual cavitation to the measurement of total void fraction. The multiphase flow is represented using a mixture model. Phase change is modeled via the homogeneous relaxation model. Particular attention is paid to quantifying the effective amount of noncondensable gas included in the mixture, in order to predict the response of regular and degassed fuels. The presence of dissolved gas in the multiphase flow is taken into account using a compressible fluid model with three distinct components (liquid, vapor, and gas). Issues surrounding estimation of the effective amount of noncondensable gas are discussed. Numerical simulation results match well with the experiments and indicate that when a sufficient quantity of gas is dissolved in the fuel, a void is evident in the central region of the channel that can be attributed to local expansion of noncondensed gas. Conversely, degassed fuel shows only intense cavitation at the nozzle wall, with very little contribution from noncondensed gas.
C1 [Battistoni, Michele; Duke, Daniel J.; Swantek, Andrew B.; Tilocco, F. Zak; Powell, Christopher F.; Som, Sibendu] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA.
[Battistoni, Michele] Univ Perugia, Dept Engn, I-06100 Perugia, Italy.
RP Battistoni, M (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM michele.battistoni@unipg.it
RI Battistoni, Michele/M-9194-2014
OI Battistoni, Michele/0000-0001-6807-9657
FU 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 The submitted manuscript has been created by UChicago Argonne, LLC,
Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S.
Department of Energy Office of Science laboratory, is operated under
Contract No. DE-AC02-06CH11357. The U.S. Government retains for itself,
and others acting on its behalf, a paid-up nonexclusive, irrevocable
worldwide license in said article to reproduce, prepare derivative
works, distribute copies to the public, and perform publicly and display
publicly, by or on behalf of the Government. This research was funded by
DOE's Office of Vehicle Technologies, Office of Energy Efficiency and
Renewable Energy under Contract No. DE-AC02-06CH11357. The authors thank
Gurpreet Singh, program manager at DOE, for his support. We gratefully
acknowledge the computing resources provided on "Fusion," a 3000-core
computing cluster operated by the Laboratory Computing Resource Center
at Argonne National Laboratory. We also acknowledge Eric Pomraning and
Shaoping Quan at Convergent Science Inc. for providing support with the
code and for many helpful discussions.
NR 48
TC 13
Z9 13
U1 1
U2 10
PU BEGELL HOUSE INC
PI DANBURY
PA 50 NORTH ST, DANBURY, CT 06810 USA
SN 1044-5110
EI 1936-2684
J9 ATOMIZATION SPRAY
JI Atom. Sprays
PY 2015
VL 25
IS 6
BP 453
EP 483
PG 31
WC Engineering, Multidisciplinary; Engineering, Chemical; Engineering,
Mechanical; Materials Science, Multidisciplinary; Physics, Applied
SC Engineering; Materials Science; Physics
GA CH3LV
UT WOS:000353933100002
ER
PT J
AU Ballantyne, AP
Andres, R
Houghton, R
Stocker, BD
Wanninkhof, R
Anderegg, W
Cooper, LA
DeGrandpre, M
Tans, PP
Miller, JB
Alden, C
White, JWC
AF Ballantyne, A. P.
Andres, R.
Houghton, R.
Stocker, B. D.
Wanninkhof, R.
Anderegg, W.
Cooper, L. A.
DeGrandpre, M.
Tans, P. P.
Miller, J. B.
Alden, C.
White, J. W. C.
TI Audit of the global carbon budget: estimate errors and their impact on
uptake uncertainty
SO BIOGEOSCIENCES
LA English
DT Article
ID LAND-COVER CHANGE; NET PRIMARY PRODUCTION; ATMOSPHERIC CO2; INTERANNUAL
VARIABILITY; SAMPLING-NETWORK; SOUTHERN-OCEAN; DIOXIDE; EMISSIONS;
CYCLE; CLIMATE
AB Over the last 5 decades monitoring systems have been developed to detect changes in the accumulation of carbon (C) in the atmosphere and ocean; however, our ability to detect changes in the behavior of the global C cycle is still hindered by measurement and estimate errors. Here we present a rigorous and flexible framework for assessing the temporal and spatial components of estimate errors and their impact on uncertainty in net C uptake by the biosphere. We present a novel approach for incorporating temporally correlated random error into the error structure of emission estimates. Based on this approach, we conclude that the 2 sigma uncertainties of the atmospheric growth rate have decreased from 1.2 Pg C yr(-1) in the 1960s to 0.3 Pg C yr(-1) in the 2000s due to an expansion of the atmospheric observation network. The 2 sigma uncertainties in fossil fuel emissions have increased from 0.3 Pg C yr(-1) in the 1960s to almost 1.0 Pg C yr(-1) during the 2000s due to differences in national reporting errors and differences in energy inventories. Lastly, while land use emissions have remained fairly constant, their errors still remain high and thus their global C uptake uncertainty is not trivial. Currently, the absolute errors in fossil fuel emissions rival the total emissions from land use, highlighting the extent to which fossil fuels dominate the global C budget. Because errors in the atmospheric growth rate have decreased faster than errors in total emissions have increased, a similar to 20% reduction in the overall uncertainty of net C global uptake has occurred. Given all the major sources of error in the global C budget that we could identify, we are 93% confident that terrestrial C uptake has increased and 97% confident that ocean C uptake has increased over the last 5 decades. Thus, it is clear that arguably one of the most vital ecosystem services currently provided by the biosphere is the continued removal of approximately half of atmospheric CO2 emissions from the atmosphere, although there are certain environmental costs associated with this service, such as the acidification of ocean waters.
C1 [Ballantyne, A. P.; Cooper, L. A.; DeGrandpre, M.] Univ Montana, Missoula, MT 59812 USA.
[Andres, R.] Oak Ridge Natl Lab, Carbon Dioxide Informat Anal Ctr, Oak Ridge, TN USA.
[Houghton, R.] Woods Hole Res Ctr, Falmouth, MA USA.
[Stocker, B. D.] Univ London Imperial Coll Sci Technol & Med, London, England.
[Wanninkhof, R.] NOAA, Atlantic Oceanog & Meteorol Lab, Miami, FL 33149 USA.
[Anderegg, W.] Princeton Univ, Princeton Environm Inst, Princeton, NJ 08544 USA.
[Tans, P. P.; Miller, J. B.] NOAA, Earth Syst Res Lab, Boulder, CO USA.
[Alden, C.] Stanford Univ, Palo Alto, CA 94304 USA.
[White, J. W. C.] Univ Colorado, Boulder, CO 80309 USA.
RP Ballantyne, AP (reprint author), Univ Montana, Missoula, MT 59812 USA.
EM ashley.ballantyne@umontana.edu
RI White, James/A-7845-2009; Stocker, Benjamin/K-3194-2015;
OI White, James/0000-0001-6041-4684; Stocker, Benjamin/0000-0003-2697-9096;
ALDEN, CAROLINE/0000-0002-5249-7800; ANDRES, ROBERT/0000-0001-8781-4979
FU NSF; NRC
FX This research was supported by grants from NSF and NRC to A. P.
Ballantyne. This work would not have been possible without the
continuous atmospheric sampling efforts of dozens of volunteer
scientists from around the world and careful measurements by researchers
at NOAA ESRL. We would also like to thank Gregg Marland, Glen Peters,
and one anonymous reviewer, as well as students in the Emerging Topics
in Ecosystem Science seminar at the University of Montana for helpful
feedback.
NR 69
TC 12
Z9 12
U1 7
U2 37
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
EI 1726-4189
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2015
VL 12
IS 8
BP 2565
EP 2584
DI 10.5194/bg-12-2565-2015
PG 20
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA CH2FG
UT WOS:000353840500019
ER
PT S
AU Baba, JS
Koju, V
John, D
AF Baba, J. S.
Koju, V.
John, D.
BE Wax, A
Backman, V
TI Monte Carlo based investigation of Berry phase for depth resolved
characterization of biomedical scattering samples
SO BIOMEDICAL APPLICATIONS OF LIGHT SCATTERING IX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Biomedical Applications of Light Scattering IX
CY FEB 07-08, 2015
CL San Francisco, CA
SP SPIE
DE Berry phase; geometric phase; polarization sensitive Monte Carlo; depth
resolved imaging of scattering samples; modeling anisotropic scatter;
optical imaging; Polarimetry; backscattered Mueller matrix
ID BACKSCATTERED POLARIZATION PATTERNS; ANGULAR-MOMENTUM; LIGHT TRANSPORT;
MUELLER MATRIX; MEDIA; PROGRAMS
AB The propagation of light in turbid media is an active area of research with relevance to numerous investigational fields, e.g., biomedical diagnostics and therapeutics. The statistical random-walk nature of photon propagation through turbid media is ideal for computational based modeling and simulation. Ready access to super computing resources provide a means for attaining brute force solutions to stochastic light-matter interactions entailing scattering by facilitating timely propagation of sufficient (>10(7)) photons while tracking characteristic parameters based on the incorporated physics of the problem. One such model that works well for isotropic but fails for anisotropic scatter, which is the case for many biomedical sample scattering problems, is the diffusion approximation. In this report, we address this by utilizing Berry phase (BP) evolution as a means for capturing anisotropic scattering characteristics of samples in the preceding depth where the diffusion approximation fails. We extend the polarization sensitive Monte Carlo method of Ramella-Roman, et al., 1 to include the computationally intensive tracking of photon trajectory in addition to polarization state at every scattering event. To speed-up the computations, which entail the appropriate rotations of reference frames, the code was parallelized using OpenMP. The results presented reveal that BP is strongly correlated to the photon penetration depth, thus potentiating the possibility of polarimetric depth resolved characterization of highly scattering samples, e.g., biological tissues.
C1 [Baba, J. S.] Oak Ridge Natl Lab, Elect & Elect Syst Res Div, Oak Ridge, TN 37831 USA.
[Baba, J. S.] Univ Tennessee, Inst Biomed Engn iBME, Knoxville, TN 37996 USA.
[Koju, V.; John, D.] Univ Tennessee, Joint Inst Computat Sci, Knoxville, TN 37996 USA.
[Koju, V.; John, D.] Univ Tennessee, Oak Ridge Natl Lab, Natl Inst Computat Sci, Oak Ridge, TN 37831 USA.
[Koju, V.; John, D.] Middle Tennessee State Univ, Coll Basic & Appl Sci, Computat Sci Program, Murfreesboro, TN 37132 USA.
RP Baba, JS (reprint author), Oak Ridge Natl Lab, Elect & Elect Syst Res Div, 1 Bethel Valley Rd,POB 2008,MS 6006, Oak Ridge, TN 37831 USA.
EM babajs@ornl.gov
RI Backman, Vadim/B-6689-2009
NR 15
TC 1
Z9 1
U1 0
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-423-3
J9 PROC SPIE
PY 2015
VL 9333
AR 93330O
DI 10.1117/12.2083421
PG 7
WC Engineering, Biomedical; Optics
SC Engineering; Optics
GA BC6FC
UT WOS:000353889300006
ER
PT J
AU Zhang, TY
Yang, MJ
Benson, EE
Li, ZJ
van de Lagemaat, J
Luther, JM
Yan, YF
Zhu, K
Zhao, YX
AF Zhang, Taiyang
Yang, Mengjin
Benson, Eric E.
Li, Zijian
van de Lagemaat, Jao
Luther, Joseph M.
Yan, Yanfa
Zhu, Kai
Zhao, Yixin
TI A facile solvothermal growth of single crystal mixed halide perovskite
CH3NH3Pb(Br1-xClx)(3)
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID SENSITIZED SOLAR-CELLS; SEQUENTIAL DEPOSITION; LEAD HALIDES; EFFICIENT;
TEMPERATURE
AB We demonstrate a facile synthetic approach for preparing mixed halide perovskite CH3NH3Pb(Br1-xClx)(3) single crystals by the solvothermal growth of stoichiometric PbBr2 and [(1 - y)CH3NH3Br + yCH(3)NH(3)Cl] DMF precursor solutions. The band gap of CH3NH3Pb(Br1-xClx)(3) single crystals increased and the unit cell dimensions decreased with an increase in Cl content x, consistent with previous theoretical predictions. Interestingly, the Cl/Br ratio in the CH3NH3Pb(Br1-xClx)(3) single crystals is larger than that of the precursor solution, suggesting an unusual crystal growth mechanism.
C1 [Zhang, Taiyang; Zhao, Yixin] Shanghai Jiao Tong Univ, Sch Environm Sci & Engn, Shanghai 200240, Peoples R China.
[Yang, Mengjin; Benson, Eric E.; van de Lagemaat, Jao; Luther, Joseph M.; Zhu, Kai] Natl Renewable Energy Lab, Chem & Nanosci Ctr, Golden, CO 80401 USA.
[Li, Zijian] Shanghai Jiao Tong Univ, Sch Chem & Chem Engn, Shanghai 200240, Peoples R China.
[Yan, Yanfa] Univ Toledo, Dept Phys & Astron, Toledo, OH 43606 USA.
[Yan, Yanfa] Univ Toledo, Ctr Photovolta Innovat & Commercializat, Toledo, OH 43606 USA.
RP Zhu, K (reprint author), Natl Renewable Energy Lab, Chem & Nanosci Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM Kai.Zhu@nrel.gov; yixin.zhao@sjtu.edu.cn
RI Zhao, Yixin/D-2949-2012; van de Lagemaat, Jao/J-9431-2012; Zhang,
Taiyang/C-7682-2017
OI Zhang, Taiyang/0000-0003-4012-2785
FU NSFC [51372151, 21303103]; U.S. Department of Energy (DOE)
[DE-FOA-0000990, DE-AC36-08-GO28308]
FX TZ and YZ are thankful for the support from the NSFC (Grant 51372151 and
21303103). MY, JML, and KZ acknowledge the support by the U.S.
Department of Energy (DOE) SunShot Initiative under the Next Generation
Photovoltaics 3 program (DE-FOA-0000990). EEB and JvdL acknowledge the
support on the single crystal diffraction data analysis by the Division
of Chemical Sciences, Geosciences, and Biosciences, Office of Basic
Energy Sciences (DOE). The work at the National Renewable Energy
Laboratory is supported by the U.S. Department of Energy under Contract
No. DE-AC36-08-GO28308.
NR 31
TC 33
Z9 33
U1 18
U2 117
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 2015
VL 51
IS 37
BP 7820
EP 7823
DI 10.1039/c5cc01835h
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA CG9MI
UT WOS:000353639300010
PM 25853846
ER
PT J
AU Darmon, JM
Kumar, N
Hulley, EB
Weiss, CJ
Raugei, S
Bullock, RM
Helm, ML
AF Darmon, Jonathan M.
Kumar, Neeraj
Hulley, Elliott B.
Weiss, Charles J.
Raugei, Simone
Bullock, R. Morris
Helm, Monte L.
TI Increasing the rate of hydrogen oxidation without increasing the
overpotential: a bio-inspired iron molecular electrocatalyst with an
outer coordination sphere proton relay
SO CHEMICAL SCIENCE
LA English
DT Article
ID ACTIVE-SITE; ENERGY; ACETONITRILE; COMPLEXES; CATALYSTS; H-2; ELECTRON;
ELEMENTS; SOLVENT; MODEL
AB Oxidation of hydrogen (H-2) to protons and electrons for energy production in fuel cells is currently catalyzed by platinum, but its low abundance and high cost present drawbacks to widespread adoption. Precisely controlled proton removal from the active site is critical in hydrogenase enzymes in nature that catalyze H-2 oxidation using earth-abundant metals (iron and nickel). Here we report a synthetic iron complex, (Cp-C5F4N) Fe((PNPEt)-N-Et-P-(CH2)3NMe2)(Cl), that serves as a precatalyst for the oxidation of H-2, with turnover frequencies of 290 s(-1) in fluorobenzene, under 1 atm of H-2 using 1,4- diazabicyclo [2.2.2] octane (DABCO) as the exogenous base. The inclusion of a properly tuned outer coordination sphere proton relay results in a cooperative effect between the primary, secondary and outer coordination spheres for moving protons, increasing the rate of H-2 oxidation without increasing the overpotential when compared with the analogous complex featuring a single pendant base. This finding emphasizes the key role of pendant amines in mimicking the functionality of the proton pathway in the hydrogenase enzymes.
C1 [Darmon, Jonathan M.; Kumar, Neeraj; Hulley, Elliott B.; Weiss, Charles J.; Raugei, Simone; Bullock, R. Morris; Helm, Monte L.] Pacific NW Natl Lab, Ctr Mol Electrocatalysis, Div Phys Sci, Richland, WA 99352 USA.
RP Helm, ML (reprint author), Pacific NW Natl Lab, Ctr Mol Electrocatalysis, Div Phys Sci, POB 999,K2-57, Richland, WA 99352 USA.
EM monte.helm@pnnl.gov
RI Kumar, Neeraj/M-3279-2015; Bullock, R. Morris/L-6802-2016;
OI Kumar, Neeraj/0000-0001-6713-2129; Bullock, R.
Morris/0000-0001-6306-4851; Helm, Monte/0000-0003-4728-8833
FU Center for Molecular Electrocatalysis, an Energy Frontier Research
Center - U.S. Department of Energy, Office of Science, Office of Basic
Energy Sciences
FX This research was supported as part of the Center for Molecular
Electrocatalysis, an Energy Frontier Research Center funded by the U.S.
Department of Energy, Office of Science, Office of Basic Energy
Sciences. Pacific Northwest National Laboratory is operated by Battelle
for the U.S. Department of Energy.
NR 45
TC 14
Z9 14
U1 6
U2 28
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 2015
VL 6
IS 5
BP 2737
EP 2745
DI 10.1039/c5sc00398a
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA CG4AT
UT WOS:000353223100007
ER
PT J
AU Hill, CH
Viuff, AH
Spratley, SJ
Salamone, S
Christensen, SH
Read, RJ
Moriarty, NW
Jensen, HH
Deane, JE
AF Hill, Chris H.
Viuff, Agnete H.
Spratley, Samantha J.
Salamone, Stephane
Christensen, Stig H.
Read, Randy J.
Moriarty, Nigel W.
Jensen, Henrik H.
Deane, Janet E.
TI Azasugar inhibitors as pharmacological chaperones for Krabbe disease
SO CHEMICAL SCIENCE
LA English
DT Article
ID GLOBOID-CELL LEUKODYSTROPHY; ENZYME REPLACEMENT THERAPY; LYSOSOMAL
STORAGE DISEASES; ACID BETA-GLUCOSIDASE; GALC GENE; GAUCHER-DISEASE;
MOLECULAR HETEROGENEITY; ALPHA-GALACTOSIDASE; JAPANESE PATIENTS; IN-VIVO
AB Krabbe disease is a devastating neurodegenerative disorder characterized by rapid demyelination of nerve fibers. This disease is caused by defects in the lysosomal enzyme beta-galactocerebrosidase (GALC), which hydrolyzes the terminal galactose from glycosphingolipids. These lipids are essential components of eukaryotic cell membranes: substrates of GALC include galactocerebroside, the primary lipid component of myelin, and psychosine, a cytotoxic metabolite. Mutations of GALC that cause misfolding of the protein may be responsive to pharmacological chaperone therapy (PCT), whereby small molecules are used to stabilize these mutant proteins, thus correcting trafficking defects and increasing residual catabolic activity in cells. Here we describe a new approach for the synthesis of galacto-configured azasugars and the characterization of their interaction with GALC using biophysical, biochemical and crystallographic methods. We identify that the global stabilization of GALC conferred by azasugar derivatives, measured by fluorescence-based thermal shift assays, is directly related to their binding affinity, measured by enzyme inhibition. X-ray crystal structures of these molecules bound in the GALC active site reveal which residues participate in stabilizing interactions, show how potency is achieved and illustrate the penalties of aza/iminosugar ring distortion. The structure-activity relationships described here identify the key physical properties required of pharmacological chaperones for Krabbe disease and highlight the potential of azasugars as stabilizing agents for future enzyme replacement therapies. This work lays the foundation for new drug-based treatments of Krabbe disease.
C1 [Hill, Chris H.; Spratley, Samantha J.; Read, Randy J.; Deane, Janet E.] Univ Cambridge, Cambridge Inst Med Res, Dept Haematol, Cambridge CB2 0XY, England.
[Viuff, Agnete H.; Salamone, Stephane; Christensen, Stig H.; Jensen, Henrik H.] Aarhus Univ, Dept Chem, DK-8000 Aarhus C, Denmark.
[Moriarty, Nigel W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
RP Jensen, HH (reprint author), Aarhus Univ, Dept Chem, Langelandsgade 140, DK-8000 Aarhus C, Denmark.
EM hhj@chem.au.dk
RI Read, Randy/L-1418-2013;
OI Read, Randy/0000-0001-8273-0047; Deane, Janet/0000-0002-4863-0330
FU Wellcome Trust; MRC; Royal Society [UF100371]; Wellcome Trust Principal
Research Fellowship [082961/Z/07/Z]; Lundbeck Foundation; Wellcome Trust
Strategic Award [100140]
FX We thank Stephen Graham for helpful discussions. We acknowledge Diamond
Light Source for time on beamline I04-1 and I02 under proposal MX8547.
C.H.H. is funded by a Wellcome Trust PhD studentship; S.J.S. is funded
by an MRC PhD studentship; and J.E.D. is supported by a Royal Society
University Research Fellowship (UF100371). R.J.R. is funded by a
Wellcome Trust Principal Research Fellowship (Grant 082961/Z/07/Z). We
are also grateful for funding from The Lundbeck Foundation to A.H.V,
S.S. and H. H. J. The Cambridge Institute for Medical Research is
supported by Wellcome Trust Strategic Award 100140.
NR 85
TC 12
Z9 12
U1 2
U2 27
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 2015
VL 6
IS 5
BP 3075
EP 3086
DI 10.1039/c5sc00754b
PG 12
WC Chemistry, Multidisciplinary
SC Chemistry
GA CG4AT
UT WOS:000353223100051
PM 26029356
ER
PT J
AU He, B
Dai, J
Zherebetskyy, D
Chen, TL
Zhang, BA
Teat, SJ
Zhang, QC
Wang, LW
Liu, Y
AF He, Bo
Dai, Jing
Zherebetskyy, Danylo
Chen, Teresa L.
Zhang, Benjamin A.
Teat, Simon J.
Zhang, Qichun
Wang, Linwang
Liu, Yi
TI A divergent route to core- and peripherally functionalized
diazacoronenes that act as colorimetric and fluorescence proton sensors
SO CHEMICAL SCIENCE
LA English
DT Article
ID POLYCYCLIC AROMATIC-HYDROCARBONS; DISCOTIC LIQUID-CRYSTALS;
PI-CONJUGATED SYSTEMS; ORGANIC SEMICONDUCTORS; PHOTOVOLTAIC DEVICES;
SELF-ORGANIZATION; SOLAR-CELLS; ELECTRONICS; PLANAR; FAMILY
AB Combining core annulation and peripheral group modification, we have demonstrated a divergent synthesis of a family of highly functionalized coronene derivatives from a readily accessible dichlorodiazaperylene intermediate. Various reactions, such as aromatic nucleophilic substitution, Kumada coupling and Suzuki coupling proceed effectively on alpha-positions of the pyridine sites, giving rise to alkoxy, thioalkyl, alkyl or aryl substituted polycyclic aromatic hydrocarbons. In addition to peripheral group modulation, the aromatic core structures can be altered by annulation with thiophene or benzene ring systems. Corresponding single crystal X-ray diffraction and optical studies indicate that the heteroatom linkages not only impact the solid state packing, but also significantly influence the optoelectronic properties. Moreover, these azacoronene derivatives display significant acid-induced spectroscopic changes, suggesting their great potential as colorimetric and fluorescence proton sensors.
C1 [He, Bo; Chen, Teresa L.; Zhang, Benjamin A.; Liu, Yi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Dai, Jing] Zhejiang Univ, Dept Chem, Hangzhou 310027, Zhejiang, Peoples R China.
[Zherebetskyy, Danylo; Wang, Linwang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Zhang, Qichun] Nanyang Technol Univ, Sch Mat Sci & Engn, Singapore 639798, Singapore.
RP Liu, Y (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
EM yliu@lbl.gov
RI zhang, qichun/A-2253-2011; Liu, yi/A-3384-2008; He, Bo/B-7478-2015;
Zhang, Benjamin/P-7571-2015; Foundry, Molecular/G-9968-2014
OI Liu, yi/0000-0002-3954-6102; He, Bo/0000-0003-1444-4625; Zhang,
Benjamin/0000-0001-8840-367X;
FU Self-Assembly of Organic/Inorganic Nanocomposite Materials program;
Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy [DE-AC02-05CH11231]
FX This work was supported by Self-Assembly of Organic/Inorganic
Nanocomposite Materials program (B. H., D. Z., L.-W. W., and Y. L.), and
was performed at the Molecular Foundry, with the X-ray experiment
conducted at the Advanced Light Source (ALS), Lawrence Berkeley National
Laboratory, all supported by the Office of Science, Office of Basic
Energy Sciences, of the U.S. Department of Energy under Contract no.
DE-AC02-05CH11231.
NR 54
TC 19
Z9 19
U1 4
U2 27
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 2015
VL 6
IS 5
BP 3180
EP 3186
DI 10.1039/c5sc00304k
PG 7
WC Chemistry, Multidisciplinary
SC Chemistry
GA CG4AT
UT WOS:000353223100063
ER
PT J
AU Liu, H
Zhang, CM
Su, ZY
Wang, K
Deng, K
AF Liu, Hui
Zhang, Cai-Ming
Su, Zhi-Yuan
Wang, Kai
Deng, Kai
TI Research on a Pulmonary Nodule Segmentation Method Combining Fast
Self-Adaptive FCM and Classification
SO COMPUTATIONAL AND MATHEMATICAL METHODS IN MEDICINE
LA English
DT Article
ID C-MEANS ALGORITHM; IMAGE SEGMENTATION; LUNG NODULES; INFORMATION
AB The key problem of computer-aided diagnosis (CAD) of lung cancer is to segment pathologically changed tissues fast and accurately. As pulmonary nodules are potential manifestation of lung cancer, we propose a fast and self-adaptive pulmonary nodules segmentation method based on a combination of FCM clustering and classification learning. The enhanced spatial function considers contributions to fuzzy membership from both the grayscale similarity between central pixels and single neighboring pixels and the spatial similarity between central pixels and neighborhood and improves effectively the convergence rate and self-adaptivity of the algorithm. Experimental results show that the proposed method can achieve more accurate segmentation of vascular adhesion, pleural adhesion, and ground glass opacity (GGO) pulmonary nodules than other typical algorithms.
C1 [Liu, Hui; Zhang, Cai-Ming; Su, Zhi-Yuan] Shandong Univ Finance & Econ, Sch Comp Sci & Technol, Jinan 250014, Peoples R China.
[Liu, Hui; Zhang, Cai-Ming; Su, Zhi-Yuan] Digital Media Technol Key Lab Shandong Prov, Jinan 250014, Peoples R China.
[Wang, Kai] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Deng, Kai] Shandong Prov Qianfoshan Hosp, Resp Dept, Jinan 250014, Peoples R China.
RP Liu, H (reprint author), Shandong Univ Finance & Econ, Sch Comp Sci & Technol, Jinan 250014, Peoples R China.
EM liuh_lh@126.com
NR 23
TC 1
Z9 1
U1 4
U2 9
PU HINDAWI PUBLISHING CORP
PI NEW YORK
PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA
SN 1748-670X
EI 1748-6718
J9 COMPUT MATH METHOD M
JI Comput. Math. Method Med.
PY 2015
AR 185726
DI 10.1155/2015/185726
PG 14
WC Mathematical & Computational Biology
SC Mathematical & Computational Biology
GA CH1KK
UT WOS:000353780100001
ER
PT J
AU Wu, H
Tang, WS
Zhou, W
Stavila, V
Rush, JJ
Udovic, TJ
AF Wu, Hui
Tang, Wan Si
Zhou, Wei
Stavila, Vitalie
Rush, John J.
Udovic, Terrence J.
TI The structure of monoclinic Na2B10H10: a combined diffraction,
spectroscopy, and theoretical approach
SO CRYSTENGCOMM
LA English
DT Article
ID SODIUM; NA; SCATTERING; NA2B12H12; BATTERIES; CRYSTAL; NUCLEAR; RB
AB Neutron powder diffraction measurements of a specially synthesized (Na2B10D10)-B-11 compound, buttressed by comparative measurements and calculations of vibrational dynamics, have led to an improved, Rietveld-refined, structural model for its low-temperature monoclinic phase. The detailed atomic arrangements and phases for this compound are important for an understanding of its potential roles for fast-ion-battery and hydrogen-storage applications. A comparison of the calculated phonon densities of states (PDOSs) based on density functional theory for both the previously published structure and our new modified structure show that the PDOS of the latter is in noticeably better agreement with that experimentally observed by neutron vibrational spectroscopy. Moreover, this improved structure is predicted to have a higher stability and exhibits more reasonable separations between all neighboring sodium cations and decahydro-closo-decaborate anions. These results demonstrate the effectiveness of combining first-principles computational methods and neutron-based structural and spectroscopic techniques for determining crystal structures for such complex hydrogenous materials.
C1 [Wu, Hui; Tang, Wan Si; Zhou, Wei; Rush, John J.; Udovic, Terrence J.] Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA.
[Wu, Hui; Tang, Wan Si; Zhou, Wei; Rush, John J.] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA.
[Stavila, Vitalie] Sandia Natl Labs, Energy Nanomat, Livermore, CA 94551 USA.
RP Wu, H (reprint author), Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA.
EM hui.wu@nist.gov; udovic@nist.gov
RI Wu, Hui/C-6505-2008; Zhou, Wei/C-6504-2008
OI Wu, Hui/0000-0003-0296-5204; Zhou, Wei/0000-0002-5461-3617
FU US Department of Energy (DOE) Office of Energy Efficiency and Renewable
Energy [DE-EE0002978]; US DOE [DE-AC02-06CH11357]
FX This work was partially supported by the US Department of Energy (DOE)
Office of Energy Efficiency and Renewable Energy under grant no.
DE-EE0002978. Use of the Advanced Photon Source, an Office of Science
User Facility operated for the US DOE Office of Science by Argonne
National Laboratory, was supported by the US DOE under contract no.
DE-AC02-06CH11357. The authors thank Drs. M. R. Hudson and C. M. Brown
for their assistance in providing the synchrotron XRPD measurements.
NR 20
TC 8
Z9 8
U1 3
U2 12
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 2015
VL 17
IS 18
BP 3533
EP 3540
DI 10.1039/c5ce00369e
PG 8
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA CG9MW
UT WOS:000353640900018
ER
PT S
AU Efimov, A
AF Efimov, Anatoly
BE Hemmati, H
Boroson, DM
TI Scintillations of a partially coherent beam in a laboratory turbulence:
experiment and comparison to theory
SO FREE-SPACE LASER COMMUNICATION AND ATMOSPHERIC PROPAGATION XXVII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Free-Space Laser Communication and Atmospheric Propagation
XXVII
CY FEB 08-09, 2015
CL San Francisco, CA
SP SPIE
DE Scintillations; Atmospheric turbulence; Free-Space Optical
Communication; Partially coherent beam; Multimode fiber
ID ATMOSPHERIC-TURBULENCE; PROPAGATION
AB A partially coherent beam generated by coupling the output of a superluminescent diode to a multimode optical fiber is propagated through a stationary laboratory turbulence. Statistical quantities are measured as a function of propagation distance and coherence radius of the beam and are compared to existing theories in the regime of weak fluctuations.
C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Efimov, A (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM efimov@lanl.gov
OI Efimov, Anatoly/0000-0002-5559-4147
NR 19
TC 0
Z9 0
U1 2
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-444-8
J9 PROC SPIE
PY 2015
VL 9354
AR 935404
DI 10.1117/12.2079473
PG 6
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BC6AR
UT WOS:000353710100002
ER
PT S
AU Lamoureux, L
Adams, P
Banisadr, A
Stromberg, Z
Graves, S
Montano, G
Moxley, R
Mukundan, H
AF Lamoureux, Loreen
Adams, Peter
Banisadr, Afsheen
Stromberg, Zachary
Graves, Steven
Montano, Gabriel
Moxley, Rodney
Mukundan, Harshini
BE Miller, BL
Fauchet, PM
Cunningham, BT
TI An optical biosensor for detection of pathogen biomarkers from Shiga
toxin-producing Escherichia coli in ground beef samples
SO FRONTIERS IN BIOLOGICAL DETECTION: FROM NANOSENSORS TO SYSTEMS VII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Frontiers in Biological Detection - From Nanosensors to
Systems VII
CY FEB 07, 2015
CL San Francisco, CA
SP SPIE
DE Shiga toxin-producing Escherichia coli (STEC); lipopolysaccharides
(LPS); planar optical waveguide biosensor; membrane insertion assays;
amphiphilic pathogen biomarkers
ID FOODBORNE ILLNESS
AB Shiga toxin-producing Escherichia coli (STEC) poses a serious threat to human health through the consumption of contaminated food products, particularly beef and produce. Early detection in the food chain, and discrimination from other non-pathogenic Escherichia coli (E. coli), is critical to preventing human outbreaks, and meeting current agricultural screening standards. These pathogens often present in low concentrations in contaminated samples, making discriminatory detection difficult without the use of costly, time-consuming methods (e.g. culture). Using multiple signal transduction schemes (including novel optical methods designed for amphiphiles), specific recognition antibodies, and a waveguide-based optical biosensor developed at Los Alamos National Laboratory, we have developed ultrasensitive detection methods for lipopolysaccharides (LPS), and protein biomarkers (Shiga toxin) of STEC in complex samples (e.g. beef lysates). Waveguides functionalized with phospholipid bilayers were used to pull down amphiphilic LPS, using methods (membrane insertion) developed by our team. The assay format exploits the amphiphilic biochemistry of lipoglycans, and allows for rapid, sensitive detection with a single fluorescent reporter. We have used a combination of biophysical methods (atomic force and fluorescence microscopy) to characterize the interaction of amphiphiles with lipid bilayers, to efficiently design these assays. Sandwich immunoassays were used for detection of protein toxins. Biomarkers were spiked into homogenated ground beef samples to determine performance and limit of detection. Future work will focus on the development of discriminatory antibodies for STEC serotypes, and using quantum dots as the fluorescence reporter to enable multiplex screening of biomarkers.
C1 [Lamoureux, Loreen; Graves, Steven] Univ New Mexico, Ctr Biomed Engn, Albuquerque, NM 87131 USA.
[Lamoureux, Loreen; Banisadr, Afsheen; Mukundan, Harshini] Los Alamos Natl Lab, Phys Chem & Appl Spect, Los Alamos, NM 87545 USA.
[Adams, Peter; Stromberg, Zachary; Montano, Gabriel] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
[Lamoureux, Loreen; Mukundan, Harshini] New Mexico Consortium, Los Alamos, NM USA.
[Moxley, Rodney] Univ Nebraska, Sch Vet Med & Biomed Sci, Lincoln, NE 68583 USA.
RP Lamoureux, L (reprint author), Univ New Mexico, Ctr Biomed Engn, Albuquerque, NM 87131 USA.
OI Adams, Peter/0000-0002-3940-8770; Moxley, Rodney/0000-0002-5377-7716;
Stromberg, Loreen/0000-0003-1715-1211
NR 16
TC 1
Z9 1
U1 0
U2 14
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-400-4
J9 PROC SPIE
PY 2015
VL 9310
AR 931004
DI 10.1117/12.2079658
PG 8
WC Nanoscience & Nanotechnology; Optics; Radiology, Nuclear Medicine &
Medical Imaging
SC Science & Technology - Other Topics; Optics; Radiology, Nuclear Medicine
& Medical Imaging
GA BC5XS
UT WOS:000353630600002
ER
PT J
AU Sherrard, RM
Carriker, NE
Greeley, MS
AF Sherrard, Rick M.
Carriker, Neil E.
Greeley, Mark S., Jr.
TI How Toxic Is Coal Ash? A Laboratory Toxicity Case Study
SO INTEGRATED ENVIRONMENTAL ASSESSMENT AND MANAGEMENT
LA English
DT Article
DE Coal combustion residuals; Kingston ash spill; Toxicity testing
ID AMPHIPOD HYALELLA-AZTECA; FLY-ASH; TIME BOMB; FATHEAD MINNOW; SELENIUM;
FISH; POPULATIONS; EFFLUENTS; SEDIMENT; RECOVERY
AB Under a consent agreement among the Environmental Protection Agency (EPA) and proponents both for and against stricter regulation, EPA is to issue a new coal ash disposal rule by the end of 2014. Laboratory toxicity investigations often yield conservative estimates of toxicity because many standard test species are more sensitive than resident species, thus could provide information useful to the rule-making. However, few laboratory studies of coal ash toxicity are available; most studies reported in the literature are based solely on field investigations. This brief communication describes a broad range of toxicity studies conducted for the Tennessee Valley Authority (TVA) Kingston ash spill, results of which help provide additional perspective on the toxicity of coal ash. Integr Environ Assess Manag 2015;11:5-9. (c) 2014 SETAC
C1 [Sherrard, Rick M.] Tennessee Valley Author, Chattanooga, TN 37402 USA.
[Carriker, Neil E.] Kingston Ash Recovery Project, Harriman, TN USA.
[Greeley, Mark S., Jr.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
RP Sherrard, RM (reprint author), Tennessee Valley Author, Chattanooga, TN 37402 USA.
EM rmsherrard@tva.gov
RI Greeley, Mark/D-2330-2016
OI Greeley, Mark/0000-0002-6088-5942
NR 37
TC 3
Z9 3
U1 6
U2 20
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1551-3777
EI 1551-3793
J9 INTEGR ENVIRON ASSES
JI Integr. Environ. Assess. Manag.
PD JAN
PY 2015
VL 11
IS 1
BP 5
EP 9
DI 10.1002/ieam.1587
PG 5
WC Environmental Sciences; Toxicology
SC Environmental Sciences & Ecology; Toxicology
GA CG8LN
UT WOS:000353559300003
PM 25348557
ER
PT J
AU Rigg, DK
Wacksman, MN
Iannuzzi, J
Baker, TF
Adams, M
Greeley, MS
AF Rigg, David K.
Wacksman, Mitch N.
Iannuzzi, Jacqueline
Baker, Tyler F.
Adams, Marshall
Greeley, Mark S., Jr.
TI Assessing Ecological Risks to the Fish Community from Residual Coal Fly
Ash in Watts Bar Reservoir, Tennessee
SO INTEGRATED ENVIRONMENTAL ASSESSMENT AND MANAGEMENT
LA English
DT Article
DE Arsenic; Selenium; Health metrics; Toxicity testing; Weight-of-evidence
ID CLARIAS-BATRACHUS
AB Extensive site-specific biological and environmental data were collected to support an evaluation of risks to the fish community in Watts Bar Reservoir from residual ash from the December 2008 Tennessee Valley Authority (TVA) Kingston ash release. This article describes the approach used and results of the risk assessment for the fish community, which consists of multiple measurement endpoints (measures of exposure and effects) for fish. The lines of evidence included 1) comparing postspill annual fish community assessments with nearby prespill data and data from other TVA reservoirs, 2) evaluating possible effects of exposures of fish eggs and larval fish to ash in controlled laboratory toxicity tests, 3) evaluating reproductive competence of field-exposed fish, 4) assessing individual fish health through physical examination, histopathology, and blood chemistry, 5) comparing fish tissue concentrations with literature-based critical body residues, and 6) comparing concentrations of ash-related contaminants in surface waters with US Environmental Protection Agency's (USEPA) Ambient Water Quality Standards for Fish and Aquatic Life. These measurement endpoints were treated as independent lines of evidence that were integrated into an overall weight-of-evidence estimate of risk to the fish community. Collectively, the data and analysis presented here indicate that ash and ash-related constituents pose negligible risks to the fish communities in Watts Bar Reservoir. This conclusion contradicts the predictions by some researchers immediately following the ash release of devastating effects on the aquatic ecology of Watts Bar Reservoir. The information presented in this article reaffirms the wisdom of carefully evaluating the evidence before predicting probable ecological effects of a major event such as the TVA Kingston ash release. This study demonstrates that a thorough and detailed investigation using multiple measurement endpoints is needed to properly evaluate ecological effects. Integr Environ Assess Manag 2015;11:88-101. (c) 2014 SETAC
C1 [Rigg, David K.] ARCADIS, Clifton Pk, NY 12065 USA.
[Wacksman, Mitch N.] ARCADIS, Portland, ME USA.
[Iannuzzi, Jacqueline] ARCADIS, Annapolis, MD USA.
[Baker, Tyler F.] Tennessee Valley Author, Chattanooga, TN USA.
[Greeley, Mark S., Jr.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Rigg, DK (reprint author), ARCADIS, Clifton Pk, NY 12065 USA.
EM david.rigg@arcadis-us.com
RI Greeley, Mark/D-2330-2016
OI Greeley, Mark/0000-0002-6088-5942
FU Tennessee Valley Authority (TVA)
FX The authors thank the following individuals and agencies for their
assistance with collecting, processing, and analyzing samples for this
project: Teresa Matthews (fish bioaccumulation studies), Mark Bevelhimer
(fish health studies), Mark Peterson, Allison Fortner, Oak Ridge
National Laboratory, Environmental Standards, Pace Analytical Services,
Restoration Services, Jacobs Engineering, US Fish and Wildlife Services,
and Tennessee Wildlife Resources Agency. Funding for this project was
provided by the Tennessee Valley Authority (TVA).
NR 26
TC 3
Z9 3
U1 3
U2 8
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1551-3777
EI 1551-3793
J9 INTEGR ENVIRON ASSES
JI Integr. Environ. Assess. Manag.
PD JAN
PY 2015
VL 11
IS 1
BP 88
EP 101
DI 10.1002/ieam.1588
PG 14
WC Environmental Sciences; Toxicology
SC Environmental Sciences & Ecology; Toxicology
GA CG8LN
UT WOS:000353559300011
PM 25346112
ER
PT J
AU Sample, BE
Lowe, J
Seeley, P
Markin, M
McCarthy, C
Hansen, J
Aly, AH
AF Sample, Bradley E.
Lowe, John
Seeley, Paul
Markin, Melanie
McCarthy, Chris
Hansen, Jim
Aly, Alaa H.
TI Depth of the Biologically Active Zone in Upland Habitats at the Hanford
Site, Washington: Implications for Remediation and Ecological Risk
Management
SO INTEGRATED ENVIRONMENTAL ASSESSMENT AND MANAGEMENT
LA English
DT Article
DE Biointrusion; Burrowing depth; Hanford Site; Rooting depth; Soil
contamination
ID FLORIDA HARVESTER ANT; NEST ARCHITECTURE; POGONOMYRMEX-BADIUS;
SOCIOGENESIS; SOCIOMETRY; BARRIERS
AB Soil invertebrates, mammals, and plants penetrate and exploit the surface soil layer (i.e., the biologically active zone) to varying depths. As the US Department of Energy remediates radioactive and hazardous wastes in soil at the Hanford Site, a site-specific definition of the biologically active zone is needed to identify the depth to which remedial actions should be taken to protect the environment and avoid excessive cleanup expenditures. This definition may then be considered in developing a point of compliance for remediation in accordance with existing regulations. Under the State of Washington Model Toxic Control Act (MTCA), the standard point of compliance for soil cleanup levels with unrestricted land use is 457cm (15ft) below ground surface. When institutional controls are required to control excavations to protect people, MTCA allows a conditional point of compliance to protect biological resources based on the depth of the biologically active zone. This study was undertaken to identify and bound the biologically active zone based on ecological resources present at the Hanford Site. Primary data were identified describing the depths to which ants, mammals, and plants may exploit the surface soil column at the Hanford Site and other comparable locations. The maximum depth observed for harvester ants (Pogonomyrmex spp.) was 270cm (8.9ft), with only trivial excavation below 244cm (8ft). Badgers (Taxidea taxus) are the deepest burrowing mammal at the Hanford Site, with maximum burrow depths of 230cm (7.6ft); all other mammals did not burrow below 122cm (4ft). Shrubs are the deepest rooting plants with rooting depths to 300cm (9.8ft) for antelope bitterbrush (Purshia tridentata). The 2 most abundant shrub species did not have roots deeper than 250cm (8.2ft). The deepest rooted forb had a maximum root depth of 240cm (7.9ft). All other forbs and grasses had rooting depths of 200cm (6.6ft) or less. These data indicate that the biologically active soil zone in the Hanford Central Plateau does not exceed 300cm (9.8ft), the maximum rooting depth for the deepest rooting plant. The maximum depth at which most other plant and animal species occur is substantially shallower. Spatial distribution and density of burrows and roots over depths were also evaluated. Although maximum excavation by harvester ants is 270cm (8.9ft), trivial volume of soil is excavated below 150cm (approximate to 5ft). Maximum rooting depths for all grasses, forbs, and the most abundant and deepest rooting shrubs are 300cm (9.8ft) or less. Most root biomass (>50-80%) is concentrated in the top 100cm (3.3ft), whereas at the maximum depth (9.8ft), only trace root biomass is present. Available data suggest a limited likelihood for significant transport of contaminants to the surface by plants at or below 244cm (8ft), and suggest that virtually all plants or animal species occurring on the Central Plateau have a negligible likelihood for transporting soil contaminants to the surface from depths at or below 305cm (10ft). Integr Environ Assess Manag 2015;11:150-160. (c) 2014 SETAC
C1 [Sample, Bradley E.] Ecol Risk, Rancho Murieta, CA 95683 USA.
[Lowe, John] CH2M HILL Plateau Remediat Co, Richland, WA USA.
[Seeley, Paul] Cenibark Int, Richland, WA USA.
[Markin, Melanie] CH2M Hill Inc, Sacramento, CA USA.
[McCarthy, Chris] CH2M Hill Inc, Boston, MA USA.
[Hansen, Jim] US DOE, Richland Operat Off, Richland, WA USA.
[Aly, Alaa H.] INTERA, Richland, WA USA.
RP Sample, BE (reprint author), Ecol Risk, Rancho Murieta, CA 95683 USA.
EM bsample@ecorisk.com
FU US Department of Energy; CH2M HILL Plateau Remediation Company
FX Support for this analysis was provided by the US Department of Energy
and the CH2M HILL Plateau Remediation Company. Much of this manuscript's
content was reviewed by the regulatory agencies (USEPA and State of
Washington Department of Ecology). Although this manuscript and its
conclusions have not been endorsed by either agency, the manuscript
benefited from excellent comments received from agencies staff.
NR 33
TC 1
Z9 1
U1 1
U2 7
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1551-3777
EI 1551-3793
J9 INTEGR ENVIRON ASSES
JI Integr. Environ. Assess. Manag.
PD JAN
PY 2015
VL 11
IS 1
BP 150
EP 160
DI 10.1002/ieam.1581
PG 11
WC Environmental Sciences; Toxicology
SC Environmental Sciences & Ecology; Toxicology
GA CG8LN
UT WOS:000353559300016
PM 25209119
ER
PT J
AU Duffin, AM
Springer, KW
Ward, JD
Jarman, KD
Robinson, JW
Endres, MC
Hart, GL
Gonzalez, JJ
Oropeza, D
Russo, RE
Willingham, DG
Naes, BE
Fahey, AJ
Eiden, GC
AF Duffin, Andrew M.
Springer, Kellen W.
Ward, Jesse D.
Jarman, Kenneth D.
Robinson, John W.
Endres, Mackenzie C.
Hart, Garret L.
Gonzalez, Jhanis J.
Oropeza, Dayana
Russo, Richard E.
Willingham, David G.
Naes, Benjamin E.
Fahey, Albert J.
Eiden, Gregory C.
TI Femtosecond laser ablation multicollector ICPMS analysis of uranium
isotopes in NIST glass
SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY
LA English
DT Article
ID PLASMA-MASS SPECTROMETRY; TRANSPORT EFFICIENCIES; REFERENCE VALUES;
MC-ICPMS; MS; PARTICLES; PLUTONIUM; RESOLUTION; AEROSOLS; STANDARD
AB We utilized femtosecond laser ablation together with multi-collector inductively coupled plasma mass spectrometry to measure the uranium isotopic content of NIST 61x (x = 0, 2, 4, 6) glasses. The uranium content of these glasses is a linear two-component mixing between isotopically natural uranium and the isotopically depleted spike used in preparing the glasses. Laser ablation results match extremely well, generally within a few ppm, with solution analysis following sample dissolution and chemical separation. In addition to isotopic data, sample utilization efficiency measurements indicate that over 1% of ablated uranium atoms reach a mass spectrometer detector, making this technique extremely efficient. Laser sampling also allows for spatial analysis and our data indicate that rare uranium concentration inhomogeneities exist in NIST 616 glass.
C1 [Duffin, Andrew M.; Springer, Kellen W.; Ward, Jesse D.; Jarman, Kenneth D.; Robinson, John W.; Endres, Mackenzie C.; Hart, Garret L.; Willingham, David G.; Naes, Benjamin E.; Eiden, Gregory C.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Gonzalez, Jhanis J.; Oropeza, Dayana; Russo, Richard E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Fahey, Albert J.] Naval Res Lab, Washington Dc, DC USA.
RP Eiden, GC (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM gregory.eiden@pnnl.gov
RI Fahey, Albert/C-5611-2015; Jarman, Kenneth/B-6157-2011;
OI Jarman, Kenneth/0000-0002-4396-9212; Willingham,
David/0000-0002-7166-8994
FU National Nuclear Security Administration, Office of Defense Nuclear
Nonproliferation Research and Development [DNN-RD/NA-22]; U.S.
Department of Energy (DOE) [DE-AC05-75RLO1830]; Chemical Science
Division, Office of Basic Energy Sciences; Defense Nuclear
Nonproliferation Research and Development Office of the U.S. DOE at the
Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]
FX The National Nuclear Security Administration, Office of Defense Nuclear
Nonproliferation Research and Development, DNN-RD/NA-22, supported this
work under an Interagency Agreement with the U.S. Department of Energy
(DOE) under Contract DE-AC05-75RLO1830. Part of this work was supported
by the Chemical Science Division, Office of Basic Energy Sciences and
the Defense Nuclear Nonproliferation Research and Development Office of
the U.S. DOE under contract number DE-AC02-05CH11231 at the Lawrence
Berkeley National Laboratory.
NR 36
TC 4
Z9 5
U1 6
U2 26
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0267-9477
EI 1364-5544
J9 J ANAL ATOM SPECTROM
JI J. Anal. At. Spectrom.
PY 2015
VL 30
IS 5
BP 1100
EP 1107
DI 10.1039/c4ja00452c
PG 8
WC Chemistry, Analytical; Spectroscopy
SC Chemistry; Spectroscopy
GA CH1FW
UT WOS:000353767600010
ER
PT J
AU Hu, W
Wang, T
Yang, JL
AF Hu, Wei
Wang, Tian
Yang, Jinlong
TI Tunable Schottky contacts in hybrid graphene-phosphorene nanocomposites
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID HEXAGONAL BORON-NITRIDE; GRAPHITIC CARBON NITRIDE; VISIBLE-LIGHT;
AB-INITIO; BLACK PHOSPHORUS; POROUS SILICENE; THIN-FILMS;
HETEROSTRUCTURES; TRANSISTORS; MOBILITY
AB Combining the electronic structures of two-dimensional monolayers in ultrathin hybrid nanocomposites is expected to display new properties beyond their single components. Here, first-principles calculations are performed to study the structural and electronic properties of hybrid graphene and phosphorene nanocomposites. Our calculations show that weak van der Waals interactions dominate between graphene and phosphorene with their intrinsic electronic properties preserved. Furthermore, we found that as the interfacial distance decreases, the Dirac point of graphene moves from the conduction band to the valence band of phosphorene in hybrid graphene and phosphorene nanocomposites, inducing a transition from an n-type Schottky contact to a p-type Schottky contact at the graphene/phosphorene interface.
C1 [Hu, Wei; Yang, Jinlong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
[Hu, Wei] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China.
[Wang, Tian] Univ Sci & Technol China, Dept Precis Machinery & Precis Instrumentat, Hefei 230026, Anhui, Peoples R China.
[Yang, Jinlong] Univ Sci & Technol China, Synerget Innovat Ctr Quantum Informat & Quantum P, Hefei 230026, Anhui, Peoples R China.
RP Hu, W (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
EM whu@lbl.gov; jlyang@ustc.edu.cn
RI Yang, Jinlong/D-3465-2009;
OI Yang, Jinlong/0000-0002-5651-5340; Hu, Wei/0000-0001-9629-2121
FU National Key Basic Research Program [2011CB921404]; NSFC [21421063,
91021004, 21233007]; Chinese Academy of Sciences (CAS) [XDB01020300];
USTCSCC, SCCAS, Tianjin; Shanghai Supercomputer Centers; Scientific
Discovery through Advanced Computing (SciDAC) Program - U.S. Department
of Energy, Office of Science, Advanced Scientific Computing Research and
Basic Energy Sciences
FX This work was partially supported by the National Key Basic Research
Program (2011CB921404), by NSFC (21421063, 91021004, 21233007), by
Chinese Academy of Sciences (CAS) (XDB01020300), and by USTCSCC, SCCAS,
Tianjin, and Shanghai Supercomputer Centers. This work is also partially
supported by the Scientific Discovery through Advanced Computing
(SciDAC) Program funded by U.S. Department of Energy, Office of Science,
Advanced Scientific Computing Research and Basic Energy Sciences (W.
H.). We thank the National Energy Research Scientific Computing (NERSC)
center for the computational resources.
NR 86
TC 25
Z9 25
U1 4
U2 59
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 2015
VL 3
IS 18
BP 4756
EP 4761
DI 10.1039/c5tc00759c
PG 6
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA CH1GB
UT WOS:000353768100022
ER
PT S
AU Bochove, E
Neschke, B
Nair, N
Delgado, P
Braiman, Y
AF Bochove, Erik
Neschke, Brendan
Nair, Niketh
Delgado, Paul
Braiman, Yehuda
BE Kudryashov, AV
Paxton, AH
Ilchenko, VS
Aschke, L
Washio, K
TI Phase dynamics of high radiance fiber laser arrays with active phase
control
SO LASER RESONATORS, MICRORESONATORS, AND BEAM CONTROL XVII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Laser Resonators, Microresonators, and Beam Control XVII
CY FEB 09-12, 2015
CL San Francisco, CA
SP SPIE
DE Laser Arrays; Coherent Arrays; Active Feedback
ID COHERENT BEAM
AB The existing model of the LOCSET technique for the active phase synchronization of fiber laser arrays (T. Shay, Opt. Express, 2006) is extended to include relevant physical properties of the system, such as inherent optical path differences (OPD), line-width and group velocity dispersion (GVD), and we also include phase "jitter" of the master oscillator's output in the model, which in experiments is implemented to induce spectral broadening for suppression of nonlinear frequency conversion. Linearization of the phase error signal, which incorrectly predicts convergence to a synchronous equilibrium state, is not performed. Instead, the closed-loop control dynamics are shown to be described by differential equations of Kuramoto type when phase corrector response dynamics are negligible. Linear stability analysis indicates that there is always one and no more than one dynamically stable state. The latter is shown to be normally synchronous, except when strong "jitter" is applied. A Liapounov function is found as subject to the validity of certain symmetry conditions.
C1 [Bochove, Erik] US Air Force, Res Lab, Directed Energy Directorate, Kirtland AFB, NM 87117 USA.
[Neschke, Brendan; Nair, Niketh; Braiman, Yehuda] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA.
[Neschke, Brendan; Nair, Niketh; Braiman, Yehuda] Oak Ridge Natl Lab, Ctr Engn Sci Adv Res, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
[Delgado, Paul] Univ Texas El Paso, Dept Computat Sci, El Paso, TX 79924 USA.
[Nair, Niketh; Delgado, Paul] LEIDOS, Albuquerque, NM 87106 USA.
RP Bochove, E (reprint author), US Air Force, Res Lab, Directed Energy Directorate, Kirtland AFB, NM 87117 USA.
NR 10
TC 0
Z9 0
U1 1
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-433-2
J9 PROC SPIE
PY 2015
VL 9343
AR 93431C
DI 10.1117/12.2080538
PG 15
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BC6AK
UT WOS:000353695900027
ER
PT S
AU Nair, N
Bochove, EJ
Aceves, AB
Zunoubi, MR
Braiman, Y
AF Nair, Niketh
Bochove, Erik J.
Aceves, Alejandro B.
Zunoubi, Mohammad R.
Braiman, Yehuda
BE Kudryashov, AV
Paxton, AH
Ilchenko, VS
Aschke, L
Washio, K
TI Resonator modes and mode dynamics for an external cavity-coupled laser
array
SO LASER RESONATORS, MICRORESONATORS, AND BEAM CONTROL XVII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Laser Resonators, Microresonators, and Beam Control XVII
CY FEB 09-12, 2015
CL San Francisco, CA
SP SPIE
DE Coupled mode theory; coherent beam combining; laser arrays; passive
phasing
ID SEMICONDUCTOR-LASERS; MULTICORE FIBER; WAVE-GUIDES; EIGENMODES; FEEDBACK
AB Employing a Fox-Li approach, we derived the cold-cavity mode structure and a coupled mode theory for a phased array of N single-transverse-mode active waveguides with feedback from an external cavity. We applied the analysis to a system with arbitrary laser lengths, external cavity design and coupling strengths to the external cavity. The entire system was treated as a single resonator. The effect of the external cavity was modeled by a set of boundary conditions expressed by an N-by-N frequency-dependent matrix relation between incident and reflected fields at the interface with the external cavity. The coupled mode theory can be adapted to various types of gain media and internal and external cavity designs.
C1 [Nair, Niketh; Braiman, Yehuda] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA.
[Nair, Niketh; Braiman, Yehuda] Univ Tennessee, Dept Engn Mech, Knoxville, TN 37996 USA.
[Bochove, Erik J.] US Air Force, Res Lab, Directed Energy Directorate, Kirtland AFB, NM 87117 USA.
[Aceves, Alejandro B.] So Methodist Univ, Dept Math, Dallas, TX 75275 USA.
SUNY Coll New Paltz, Dept Elect & Comp Engn, New Paltz, NY 12561 USA.
RP Nair, N (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA.
EM nnair@vols.utk.edu
NR 37
TC 0
Z9 0
U1 1
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-433-2
J9 PROC SPIE
PY 2015
VL 9343
AR 93431D
DI 10.1117/12.2080569
PG 11
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BC6AK
UT WOS:000353695900028
ER
PT S
AU Yahagi, Y
Harteneck, B
Cabrini, S
Schmidt, H
AF Yahagi, Yu
Harteneck, Bruce
Cabrini, Stefano
Schmidt, Holger
BE Adibi, A
Lin, SY
Scherer, A
TI Control of the magnetization dynamics in patterned nanostructures with
magnetoelastic coupling
SO PHOTONIC AND PHONONIC PROPERTIES OF ENGINEERED NANOSTRUCTURES V
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Photonic and Phononic Properties of Engineered
Nanostructures V
CY FEB 09-12, 2015
CL San Francisco, CA
SP SPIE
DE phononic crystal; magnetization dynamics; time-resolved MOKE;
magnetoelastic coupling; spin waves; surface acoustic waves
AB We review the influence of the magnetoelastic coupling with surface acoustic waves (SAWs) on the dynamic magnetic response of a periodic nanomagnet array. In addition to exciting the magnetization precession, an ultrafast laser pulse generates multiple SAW modes whose frequencies are determined by the array pitch. As a result, strong pinning of the magnetization precession frequency at the crossover points with the SAWs is observed over an extended field range. The complex spin wave spectrum can be analyzed in frequency and momentum spaces using finite element analysis emulating generation of SAWs. The magnetic response of the nanomagnets was then correctly reproduced with micromagnetic simulations taking into account additional magnetoelastic energy terms. This finding demonstrates control of the nanomagnet dynamics with the array geometry via magnetoelastic coupling, even when the magnetostatic interaction between the magnets is negligible.
C1 [Yahagi, Yu; Schmidt, Holger] Univ Calif Santa Cruz, Sch Engn, Santa Cruz, CA 95064 USA.
[Harteneck, Bruce; Cabrini, Stefano] Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
RP Yahagi, Y (reprint author), Univ Calif Santa Cruz, Sch Engn, 1156 High St, Santa Cruz, CA 95064 USA.
EM hsehmidt@soe.uese.edu
NR 29
TC 0
Z9 0
U1 2
U2 13
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-461-5
J9 PROC SPIE
PY 2015
VL 9371
AR 93711O
DI 10.1117/12.2084978
PG 8
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BC6AO
UT WOS:000353706000018
ER
PT J
AU Lara-Garcia, HA
Alcantar-Vazquez, B
Duan, YH
Pfeiffer, H
AF Lara-Garcia, Hugo A.
Alcantar-Vazquez, Brenda
Duan, Yuhua
Pfeiffer, Heriberto
TI Water steam effect during high CO2 chemisorption in lithium cuprate
(Li2CuO2) at moderate temperatures: experimental and theoretical
evidence
SO RSC ADVANCES
LA English
DT Article
ID 30-80 DEGREES-C; CARBON-DIOXIDE; CAPTURE PROPERTIES; VAPOR ADDITION;
ABSORPTION; ZIRCONATE; SEQUESTRATION; ORTHOSILICATE; SORPTION; KINETICS
AB Li2CuO2 was evaluated as a CO2 captor at moderate temperatures, using water vapor in the gas flow. Different water vapor sorption experiments were performed using N-2 or CO2 as carrier gases. If N-2 was used as carrier gas, it was evidenced that Li2CuO2 is able to trap water physically and chemically, producing in the second case Li-OH superficial species. Moreover, when CO2 was used as carrier gas, Li2CuO2 continued trapping water, as in the previous case, but in this case CO2 was mainly trapped, forming Li2CO3 and CuO phases. Additionally, the microstructure changes importantly when CO2 and H2O are chemically trapped in Li2CuO2. Li2CO3 and CuO seemed to segregate changing the morphology and the specific surface area. The Li2CuO2 sample was able to capture up to 6.7 mmoles of CO2 per gram of ceramic at 80 degrees C, a considerably high CO2 amount. Furthermore, all these experiments were theoretically supported by different thermodynamic calculations. Experimental and theoretical results show that H2O acts as a catalytic intermediate, diminishing the activation energy of the whole CO2 chemisorption process. Therefore, the presence of water vapor strongly favored the CO2 chemisorption on Li2CuO2 at moderate temperatures (30-80 degrees C).
C1 [Lara-Garcia, Hugo A.; Alcantar-Vazquez, Brenda; Pfeiffer, Heriberto] Univ Nacl Autonoma Mexico, Inst Invest Mat, Mexico City 04510, DF, Mexico.
[Duan, Yuhua] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
RP Pfeiffer, H (reprint author), Univ Nacl Autonoma Mexico, Inst Invest Mat, Circuito Exterior S-N Cd Univ,Del Coyoacan, Mexico City 04510, DF, Mexico.
EM pfeiffer@iim.unam.mx
FU project PAPIIT-UNAM [IN-102313]; project SENER-CONACYT [150358]; CONACYT
FX This work was financially supported by the projects PAPIIT-UNAM
(IN-102313) and SENER-CONACYT (150358). H. Lara-Garcia thanks CONACYT
for financial support. The authors thank to Adriana Tejeda and Josue
Romero-Ibarra for technical help.
NR 62
TC 8
Z9 8
U1 3
U2 15
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 2015
VL 5
IS 43
BP 34157
EP 34165
DI 10.1039/c5ra03580e
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA CG3GR
UT WOS:000353167500056
ER
PT J
AU Spafford, KL
Vetter, JS
AF Spafford, Kyle L.
Vetter, Jeffrey S.
TI Automated Design Space Exploration with Aspen
SO SCIENTIFIC PROGRAMMING
LA English
DT Article
ID PARALLEL COMPUTATION; ALGORITHM; MODEL; OPTIMIZATION; FUTURE
AB Architects and applications scientists often use performance models to explore a multidimensional design space of architectural characteristics, algorithm designs, and application parameters. With traditional performance modeling tools, these explorations forced users to first develop a performance model and then repeatedly evaluate and analyze the model manually. These manual investigations proved laborious and error prone. More importantly, the complexity of this traditional process often forced users to simplify their investigations. To address this challenge of design space exploration, we extend our Aspen (Abstract Scalable Performance Engineering Notation) language with three new language constructs: user-defined resources, parameter ranges, and a collection of costs in the abstract machine model. Then, we use these constructs to enable automated design space exploration via a nonlinear optimization solver. We show how four interesting classes of design space exploration scenarios can be derived from Aspen models and formulated as pure nonlinear programs. The analysis tools are demonstrated using examples based on Aspen models for a three-dimensional Fast Fourier Transform, the CoMD molecular dynamics proxy application, and the DARPA Streaming Sensor Challenge Problem. Our results show that this approach can compose and solve arbitrary performance modeling questions quickly and rigorously when compared to the traditional manual approach.
C1 [Spafford, Kyle L.; Vetter, Jeffrey S.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Vetter, JS (reprint author), Oak Ridge Natl Lab, One Bethel Valley Rd,Bldg 5100,MS-6173, Oak Ridge, TN 37831 USA.
EM vetter@computer.org
FU Office of Advanced Scientific Computing Research in U.S. Department of
Energy; DARPA [HR0011-10-9-0008]; U.S. Government [DE-AC05-00OR22725]
FX This research is sponsored by the Office of Advanced Scientific
Computing Research in the U.S. Department of Energy and DARPA Contract
HR0011-10-9-0008. The paper has been authored by Oak Ridge National
Laboratory, which is managed by UT-Battelle, LLC under Contract
DE-AC05-00OR22725 to the U.S. Government. 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 42
TC 0
Z9 0
U1 0
U2 1
PU HINDAWI PUBLISHING CORP
PI NEW YORK
PA 315 MADISON AVE 3RD FLR, STE 3070, NEW YORK, NY 10017 USA
SN 1058-9244
EI 1875-919X
J9 SCI PROGRAMMING-NETH
JI Sci. Program.
PY 2015
BP 1
EP 10
AR 157305
DI 10.1155/2015/157305
PG 10
WC Computer Science, Software Engineering
SC Computer Science
GA CH2ER
UT WOS:000353839000001
ER
PT J
AU Cai, ZQ
Falgout, R
Zhang, S
AF Cai, Zhiqiang
Falgout, Rob
Zhang, Shun
TI DIV FIRST-ORDER SYSTEM LL* (FOSLL*) FOR SECOND-ORDER ELLIPTIC PARTIAL
DIFFERENTIAL EQUATIONS
SO SIAM JOURNAL ON NUMERICAL ANALYSIS
LA English
DT Article
DE LL* method; least-squares method; a priori error estimate; a posteriori
error estimate; elliptic equations
ID LEAST-SQUARES
AB The first-order system LL* (FOSLL*) approach for general second-order elliptic partial differential equations was proposed and analyzed in [Z. Cai et al., SIAM J. Numer. Anal., 39 (2001), pp. 1418-1445], in order to retain the full efficiency of the L-2 norm first-order system least-squares (FOSLS) approach while exhibiting the generality of the inverse-norm FOSLS approach. The FOSLL* approach of Cai et al. was applied to the div-curl system with added slack variables, and hence it is quite complicated. In this paper, we apply the FOSLL* approach to the div system and establish its well-posedness. For the corresponding finite element approximation, we obtain a quasi-optimal a priori error bound under the same regularity assumption as the standard Galerkin method, but without the restriction to sufficiently small mesh size. Unlike the FOSLS approach, the FOSLL* approach does not have a free a posteriori error estimator. We then propose an explicit residual error estimator and establish its reliability and efficiency bounds.
C1 [Cai, Zhiqiang] Purdue Univ, Dept Math, W Lafayette, IN 47907 USA.
[Falgout, Rob] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA.
[Zhang, Shun] City Univ Hong Kong, Dept Math, Hong Kong, Hong Kong, Peoples R China.
RP Cai, ZQ (reprint author), Purdue Univ, Dept Math, W Lafayette, IN 47907 USA.
EM caiz@purdue.edu; falgout2@llnl.gov; shun.zhang@cityu.edu.hk
RI Zhang, Shun/J-5972-2016
OI Zhang, Shun/0000-0001-6235-0362
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344 (LLNL-JRNL-645325)]; National Science Foundation
[DMS-1217081]; Research Grants Council of the Hong Kong SAR, China,
under GRF grant [11303914, CityU 9042090]
FX This work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under contract
DE-AC52-07NA27344 (LLNL-JRNL-645325). The research was supported in part
by the National Science Foundation under grant DMS-1217081 and the
Research Grants Council of the Hong Kong SAR, China, under GRF grant
project 11303914, CityU 9042090.
NR 18
TC 2
Z9 2
U1 0
U2 1
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 0036-1429
EI 1095-7170
J9 SIAM J NUMER ANAL
JI SIAM J. Numer. Anal.
PY 2015
VL 53
IS 1
BP 405
EP 420
DI 10.1137/140971890
PG 16
WC Mathematics, Applied
SC Mathematics
GA CH2GW
UT WOS:000353844700019
ER
PT J
AU Jones, BH
Martinez, AM
Wheeler, JS
Spoerke, ED
AF Jones, Brad H.
Martinez, Alina M.
Wheeler, Jill S.
Spoerke, Erik D.
TI Surfactant-induced assembly of enzymatically-stable peptide hydrogels
SO SOFT MATTER
LA English
DT Article
ID SODIUM DODECYL-SULFATE; AMYLOID-BETA PEPTIDE; CRITICAL MICELLE
CONCENTRATION; CONFORMATIONAL TRANSITION; POLY(L-GLUTAMIC ACID);
AQUEOUS-SOLUTION; CIRCULAR-DICHROISM; CHAIN-LENGTH; ALPHA-HELIX;
CATIONIC SURFACTANTS
AB The secondary structure of peptides in the presence of interacting additives is an important topic of study, having implications in the application of peptide science to a broad range of modern technologies. Surfactants constitute a class of biologically relevant compounds that are known to influence both peptide conformation and aggregation or assembly. We have characterized the secondary structure of a linear nonapeptide composed of a hydrophobic alanine/phenylalanine core flanked by hydrophilic acid/amine units. We show that the anionic surfactant sodium dodecyl sulfate (SDS) induces the formation of beta-sheets and macroscopic gelation in this otherwise unstructured peptide. Through comparison to related additives, we propose that SDS-induced secondary structure formation is the result of amphiphilicity created by electrostatic binding of SDS to the peptide. In addition, we demonstrate a novel utility of surfactants in manipulating and stabilizing peptide nanostructures. SDS is used to simultaneously induce secondary structure in a peptide and to inhibit the activity of a model enzyme, resulting in a peptide hydrogel that is impervious to enzymatic degradation. These results complement our understanding of the behavior of peptides in the presence of interacting secondary molecules and provide new potential pathways for programmable organization of peptides by the addition of such components.
C1 [Jones, Brad H.; Martinez, Alina M.; Wheeler, Jill S.; Spoerke, Erik D.] Sandia Natl Labs, Elect Opt & Nano Mat, Albuquerque, NM 87185 USA.
RP Spoerke, ED (reprint author), Sandia Natl Labs, Elect Opt & Nano Mat, POB 5800,MS 1411, Albuquerque, NM 87185 USA.
EM edspoer@sandia.gov
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Materials Sciences and Engineering [KC0203010]; US Department of
Energy's National Nuclear Security Administration [DE-AC04-94AL85000]
FX We gratefully acknowledge Ken Sherrell and the University of New Mexico
MS facility and Dr James Hochrein and Lance Miller for performing MS. We
gratefully acknowledge Dr Nelson Bell for assistance with rheological
experiments. We also thank Dr George Bachand for insightful discussion.
This research was supported by the U.S. Department of Energy, Office of
Basic Energy Sciences, Division of Materials Sciences and Engineering,
Project KC0203010. Sandia National Laboratories is a multi-program
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.
NR 82
TC 2
Z9 2
U1 10
U2 35
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 2015
VL 11
IS 18
BP 3572
EP 3580
DI 10.1039/c5sm00522a
PG 9
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA CG9SI
UT WOS:000353660000008
PM 25853589
ER
PT J
AU Gunaratne, KDD
Prabhakaran, V
Ibrahim, YM
Norheim, RV
Johnson, GE
Laskin, J
AF Gunaratne, K. Don D.
Prabhakaran, Venkateshkumar
Ibrahim, Yehia M.
Norheim, Randolph V.
Johnson, Grant E.
Laskin, Julia
TI Design and performance of a high-flux electrospray ionization source for
ion soft landing
SO ANALYST
LA English
DT Article
ID MASS-SELECTED IONS; SIZE-SELECTED CLUSTERS; ASSEMBLED MONOLAYER
SURFACES; LANDED PROTEIN VOLTAMMETRY; SUPPORTED METAL-CLUSTERS; IN-SITU;
CHEMICAL-MODIFICATION; BIOMOLECULAR IONS; PREPARATIVE SOFT; SIMS
ANALYSIS
AB We report the design and evaluation of a new high-intensity electrospray ionization source for ion soft-landing experiments. The source incorporates a dual ion funnel, which enables operation with a higher gas load through an expanded diameter heated inlet into the additional first region of differential pumping. This capability allowed us to examine the effect of the inner diameter (ID) of the heated stainless steel inlet on the total ion current transmitted through the dual funnel interface and, more importantly, the mass-selected ion current delivered to the deposition target. The ion transmission of the dual funnel is similar to the transmission of the single funnel used in our previous soft landing studies. However, substantially higher ion currents were obtained using larger ID heated inlets and an orthogonal inlet geometry, in which the heated inlet was positioned perpendicular to the direction of ion propagation through the instrument. The highest ion currents were obtained using the orthogonal geometry and a 1.4 mm ID heated inlet. The corresponding stable deposition rate of similar to 1 mu g of mass-selected ions per day will facilitate future studies focused on the controlled deposition of complex molecules on substrates for studies in catalysis, energy storage, and self-assembly.
C1 [Gunaratne, K. Don D.; Prabhakaran, Venkateshkumar; Johnson, Grant E.; Laskin, Julia] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
[Ibrahim, Yehia M.; Norheim, Randolph V.] Pacific NW Natl Lab, Biol Sci Div, Richland, WA 99352 USA.
[Ibrahim, Yehia M.; Norheim, Randolph V.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
RP Laskin, J (reprint author), Pacific NW Natl Lab, Div Phys Sci, POB 999,MSIN K8-88, Richland, WA 99352 USA.
EM Julia.Laskin@pnnl.gov
RI Prabhakaran, Venkateshkumar/C-5023-2009;
OI Prabhakaran, Venkateshkumar/0000-0001-6692-6488; Laskin,
Julia/0000-0002-4533-9644; Johnson, Grant/0000-0003-3352-4444
FU US Department of Energy, Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences Biosciences; DOE's
Office of Biological and Environmental Research
FX This work was supported by the US Department of Energy, Office of
Science, Office of Basic Energy Sciences, Division of Chemical Sciences,
Geosciences & Biosciences and performed in EMSL, a national scientific
user facility sponsored by the DOE's Office of Biological and
Environmental Research and located at the Pacific Northwest National
Laboratory (PNNL). PNNL is operated by Battelle for the U.S. DOE.
NR 76
TC 11
Z9 11
U1 5
U2 35
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 2015
VL 140
IS 9
BP 2957
EP 2963
DI 10.1039/c5an00220f
PG 7
WC Chemistry, Analytical
SC Chemistry
GA CG3CK
UT WOS:000353154400004
PM 25800562
ER
PT J
AU Marelle, L
Raut, JC
Thomas, JL
Law, KS
Quennehen, B
Ancellet, G
Pelon, J
Schwarzenboeck, A
Fast, JD
AF Marelle, L.
Raut, J. -C.
Thomas, J. L.
Law, K. S.
Quennehen, B.
Ancellet, G.
Pelon, J.
Schwarzenboeck, A.
Fast, J. D.
TI Transport of anthropogenic and biomass burning aerosols from Europe to
the Arctic during spring 2008
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID POLARCAT SUMMER CAMPAIGN; NORTH-AMERICA; AIR-POLLUTION; ATMOSPHERIC
AEROSOLS; CLOUD MICROPHYSICS; OPTICAL-PROPERTIES; ORGANIC-COMPOUNDS;
BLACK CARBON; MODEL; EMISSIONS
AB During the POLARCAT-France airborne campaign in April 2008, pollution originating from anthropogenic and biomass burning emissions was measured in the European Arctic. We compare these aircraft measurements with simulations using the WRF-Chem model to investigate model representation of aerosols transported from Europe to the Arctic. Modeled PM2.5 is evaluated using European Monitoring and Evaluation Programme (EMEP) measurements in source regions and POLARCAT aircraft measurements in the Scandinavian Arctic. Total PM2.5 agrees well with the measurements, although the model overestimates nitrate and underestimates organic carbon in source regions. Using WRF-Chem in combination with the Lagrangian model FLEXPART-WRF, we find that during the campaign the research aircraft sampled two different types of European plumes: mixed anthropogenic and fire plumes from eastern Europe and Russia transported below 2 km, and anthropogenic plumes from central Europe uplifted by warm conveyor belt circulations to 5-6 km. Both modeled plume types had undergone significant wet scavenging (> 50% PM10) during transport. Modeled aerosol vertical distributions and optical properties below the aircraft are evaluated in the Arctic using airborne lidar measurements. Model results show that the pollution event transported aerosols into the Arctic (> 66.6 degrees N) for a 4-day period. During this 4-day period, biomass burning emissions have the strongest influence on concentrations between 2.5 and 3 km altitudes, while European anthropogenic emissions influence aerosols at both lower (similar to 1.5 km) and higher altitudes (similar to 4.5 km). As a proportion of PM2.5, modeled black carbon and SO4= concentrations are more enhanced near the surface in anthropogenic plumes. The European plumes sampled during the POLARCAT-France campaign were transported over the region of springtime snow cover in northern Scandinavia, where they had a significant local atmospheric warming effect. We find that, during this transport event, the average modeled top-of-atmosphere (TOA) shortwave direct and semi-direct radiative effect (DSRE) north of 60 degrees N over snow and ice-covered surfaces reaches +0.58W m(-2), peaking at +3.3W m(-2) at noon over Scandinavia and Finland.
C1 [Marelle, L.; Raut, J. -C.; Thomas, J. L.; Law, K. S.; Quennehen, B.; Ancellet, G.; Pelon, J.] Univ Paris 06, Sorbonne Univ, Paris, France.
[Marelle, L.; Raut, J. -C.; Thomas, J. L.; Law, K. S.; Quennehen, B.; Ancellet, G.; Pelon, J.] Univ Versailles St Quentin, Paris, France.
[Marelle, L.; Raut, J. -C.; Thomas, J. L.; Law, K. S.; Quennehen, B.; Ancellet, G.; Pelon, J.] CNRS, INSU, LATMOS, IPSL, Paris, France.
[Marelle, L.] TOTAL SA DS, F-92078 Paris, France.
[Schwarzenboeck, A.] Univ Clermont Ferrand, CNRS, UMR6016, Lab Meteorol Phys, Aubiere, France.
[Fast, J. D.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Marelle, L (reprint author), Univ Paris 06, Sorbonne Univ, Paris, France.
EM louis.marelle@latmos.ipsl.fr
RI Raut, Jean-Christophe/G-3946-2016;
OI Raut, Jean-Christophe/0000-0002-3552-2437
FU French research agency ANR Climate Impacts of Short-Lived Pollutants and
Methane in the Arctic (CLIMSLIP) project; CNRS/LEFE; ANR "Programme
d'Investissements d'Avenir" [ANR-10-LABX-0018]; Total; ANR; CNES;
CNRS/INSU; IPEV
FX This study was supported by the French research agency ANR Climate
Impacts of Short-Lived Pollutants and Methane in the Arctic (CLIMSLIP)
project and CNRS/LEFE. We also acknowledge support from the ANR
"Programme d'Investissements d'Avenir" (grant no. ANR-10-LABX-0018).
Financial support for this work was provided by Total. The UMS SAFIRE is
acknowledged for supporting the ATR-42 aircraft deployment and for
providing the aircraft meteorological data. The POLARCAT-FRANCE project
was supported by ANR, CNES, CNRS/INSU, and IPEV. We thank Jerome Brioude
(CIRES) for the development of FLEXPART-WRF. We thank the EDGAR team for
compiling the HTAPv2 emissions
(http://edgar.jrc.ec.europa.eu/htap_v2/index.php?SECURE=123). We
acknowledge the E-OBS data set from the EU-FP6 project ENSEMBLES
(http://ensembles-eu.metoffice.com) and the data providers in the ECA&D
project (http://www.ecad.eu). Computing resources were provided by the
IPSL CICLAD/CLIMSERV mesocenter.
NR 82
TC 3
Z9 3
U1 4
U2 25
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2015
VL 15
IS 7
BP 3831
EP 3850
DI 10.5194/acp-15-3831-2015
PG 20
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CG0LF
UT WOS:000352957400013
ER
PT J
AU Drewniak, BA
Mishra, U
Song, J
Prell, J
Kotamarthi, VR
AF Drewniak, B. A.
Mishra, U.
Song, J.
Prell, J.
Kotamarthi, V. R.
TI Modeling the impact of agricultural land use and management on US carbon
budgets
SO BIOGEOSCIENCES
LA English
DT Article
ID SOIL ORGANIC-CARBON; RESIDUE REMOVAL; NITROGEN-FERTILIZATION;
UNITED-STATES; CORN STOVER; CROP; SEQUESTRATION; DYNAMICS; TILLAGE;
CLIMATE
AB Cultivation of the terrestrial land surface can create either a source or sink of atmospheric CO2, depending on land management practices. The Community Land Model (CLM) provides a useful tool for exploring how land use and management impact the soil carbon pool at regional to global scales. CLM was recently updated to include representation of managed lands growing maize, soybean, and spring wheat. In this study, CLM-Crop is used to investigate the impacts of various management practices, including fertilizer use and differential rates of crop residue removal, on the soil organic carbon (SOC) storage of croplands in the continental United States over approximately a 170-year period. Results indicate that total US SOC stocks have already lost over 8 Pg C (10 %) due to land cultivation practices (e.g., fertilizer application, cultivar choice, and residue removal), compared to a land surface composed of native vegetation (i.e., grasslands). After long periods of cultivation, individual subgrids (the equivalent of a field plot) growing maize and soybean lost up to 65% of the carbon stored compared to a grassland site. Crop residue management showed the greatest effect on soil carbon storage, with low and medium residue returns resulting in additional losses of 5 and 3.5 %, respectively, in US carbon storage, while plots with high residue returns stored 2% more carbon. Nitrogenous fertilizer can alter the amount of soil carbon stocks significantly. Under current levels of crop residue return, not applying fertilizer resulted in a 5% loss of soil carbon. Our simulations indicate that disturbance through cultivation will always result in a loss of soil carbon, and management practices will have a large influence on the magnitude of SOC loss.
C1 [Drewniak, B. A.; Mishra, U.; Prell, J.; Kotamarthi, V. R.] Argonne Natl Lab, Environm Sci Div, Argonne, IL 60439 USA.
[Song, J.] No Illinois Univ, Dept Geog, De Kalb, IL 60115 USA.
RP Drewniak, BA (reprint author), Argonne Natl Lab, Environm Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM bbye@anl.gov
FU US Department of Energy (DOE), Office of Science [DE-AC02-06CH11357];
Office of Science, under DOE [DE-AC02-05CH11231]
FX This work was supported by the US Department of Energy (DOE), Office of
Science, under contract DE-AC02-06CH11357. Numerical simulations were
performed with resources provided by the National Energy Research
Scientific Computing Center, supported by the Office of Science, under
DOE contract DE-AC02-05CH11231.
NR 67
TC 3
Z9 3
U1 3
U2 25
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
EI 1726-4189
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2015
VL 12
IS 7
BP 2119
EP 2129
DI 10.5194/bg-12-2119-2015
PG 11
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA CG0LP
UT WOS:000352958400005
ER
PT J
AU Zhao, JM
Mu, LQ
Qi, YR
Hu, YS
Liu, HZ
Dai, S
AF Zhao, Junmei
Mu, Linqin
Qi, Yuruo
Hu, Yong-Sheng
Liu, Huizhou
Dai, Sheng
TI A phase-transfer assisted solvo-thermal strategy for low-temperature
synthesis of Na-3(VO1-xPO4)(2)F1+2x cathodes for sodium-ion batteries
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID ENERGY-STORAGE; LITHIUM-ION; ELECTROCHEMICAL PERFORMANCE;
NA3V2(PO4)(2)F-3 CATHODE; INSERTION PROPERTIES; POSITIVE ELECTRODE; IRON
PHOSPHATE; FLUOROPHOSPHATE; NA3V2O2X(PO4)(2)F3-2X; MECHANISM
AB We demonstrate that a series of high-performance cathode materials, sodium vanadium polyanionic compounds, Na-3(VO1-xPO4)(2)F1+2x (x = 0, 0.5 and 1), can be synthesized by a phase-transfer assisted solvo-thermal strategy at a rather low temperature (80-140 degrees C) in one simple step, exhibiting a high Na storage capacity of ca. 120 mA h g(-1) and excellent cycling performance. This study makes a significant step to extend this strategy to the synthesis of functional materials from simple binary to complex multicomponent compounds.
C1 [Zhao, Junmei; Qi, Yuruo; Liu, Huizhou] Chinese Acad Sci, Inst Proc Engn, Key Lab Green Proc & Engn, Beijing 100190, Peoples R China.
[Zhao, Junmei; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Mu, Linqin; Hu, Yong-Sheng] Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China.
RP Zhao, JM (reprint author), Chinese Acad Sci, Inst Proc Engn, Key Lab Green Proc & Engn, Beijing 100190, Peoples R China.
EM jmzhao@ipe.ac.cn; hzliu@ipe.ac.cn
RI Dai, Sheng/K-8411-2015; Hu, Yong-Sheng/H-1177-2011
OI Dai, Sheng/0000-0002-8046-3931; Hu, Yong-Sheng/0000-0002-8430-6474
FU Beijing Natural Science Foundation [2142030, 51222210]; "973" Projects
[2012CB932900]; State Scholarship Fund from China Scholarship Council;
U.S. Department of Energy's Office of Basic Energy Science, Division of
Materials Sciences and Engineering
FX This work was supported by Beijing Natural Science Foundation (2142030
and 51222210), and "973" Projects (2012CB932900) and by the State
Scholarship Fund from China Scholarship Council. SD was supported by the
U.S. Department of Energy's Office of Basic Energy Science, Division of
Materials Sciences and Engineering.
NR 39
TC 10
Z9 10
U1 11
U2 75
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 2015
VL 51
IS 33
BP 7160
EP 7163
DI 10.1039/c5cc01504a
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA CF9DU
UT WOS:000352863600018
PM 25812049
ER
PT J
AU Voiry, D
Mohite, A
Chhowalla, M
AF Voiry, Damien
Mohite, Aditya
Chhowalla, Manish
TI Phase engineering of transition metal dichalcogenides
SO CHEMICAL SOCIETY REVIEWS
LA English
DT Review
ID SINGLE-LAYER MOS2; MONOLAYER MOLYBDENUM-DISULFIDE;
SCANNING-TUNNELING-MICROSCOPY; EFFICIENT HYDROGEN EVOLUTION; CHEMICALLY
EXFOLIATED MOS2; ATOMICALLY THIN MOS2; ELECTRONIC-PROPERTIES; LITHIUM
INTERCALATION; ULTRATHIN NANOSHEETS; COLLOIDAL SYNTHESIS
AB Transition metal dichalcogenides (TMDs) represent a family of materials with versatile electronic, optical, and chemical properties. Most TMD bulk crystals are van der Waals solids with strong bonding within the plane but weak interlayer bonding. The individual layers can be readily isolated. Single layer TMDs possess intriguing properties that are ideal for both fundamental and technologically relevant research studies. We review the structure and phases of single and few layered TMDs. We also describe recent progress in phase engineering in TMDs. The ability to tune the chemistry by choosing a unique combination of transition metals and chalcogen atoms along with controlling their properties by phase engineering allows new functionalities to be realized with TMDs.
C1 [Voiry, Damien; Chhowalla, Manish] Rutgers State Univ, Mat Sci & Engn, Piscataway, NJ 08854 USA.
[Mohite, Aditya] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
RP Chhowalla, M (reprint author), Rutgers State Univ, Mat Sci & Engn, 607 Taylor Rd, Piscataway, NJ 08854 USA.
EM manish1@rci.rutgers.edu
RI Voiry, Damien/G-3541-2016;
OI Voiry, Damien/0000-0002-1664-2839; MOHITE, ADITYA/0000-0001-8865-409X
NR 98
TC 67
Z9 67
U1 53
U2 238
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0306-0012
EI 1460-4744
J9 CHEM SOC REV
JI Chem. Soc. Rev.
PY 2015
VL 44
IS 9
BP 2702
EP 2712
DI 10.1039/c5cs00151j
PG 11
WC Chemistry, Multidisciplinary
SC Chemistry
GA CG9RX
UT WOS:000353658000009
PM 25891172
ER
PT S
AU Muir, RD
Pogranichniy, NR
Muir, JL
Sullivan, SZ
Battaile, KP
Mulichak, AM
Toth, SJ
Keefe, LJ
Simpson, GJ
AF Muir, Ryan D.
Pogranichniy, Nicholas R.
Muir, J. Lewis
Sullivan, Shane Z.
Battaile, Kevin P.
Mulichak, Anne M.
Toth, Scott J.
Keefe, Lisa J.
Simpson, Garth J.
BE Bouman, CA
Sauer, KD
TI Spectral X-Ray Diffraction using a 6 Megapixel Photon Counting Array
Detector
SO COMPUTATIONAL IMAGING XIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Computational Imaging XIII
CY FEB 10-11, 2015
CL San Francisco, CA
SP Soc Imaging Sci & Technol, SPIE
ID RADIATION-DAMAGE; PROTEIN; CRYSTALLOGRAPHY
AB Pixel-array array detectors allow single-photon counting to be performed on a massively parallel scale, with several million counting circuits and detectors in the array. Because the number of photoelectrons produced at the detector surface depends on the photon energy, these detectors offer the possibility of spectral imaging. In this work, a statistical model of the instrument response is used to calibrate the detector on a per-pixel basis. In turn, the calibrated sensor was used to perform separation of dual-energy diffraction measurements into two monochromatic images. Targeting applications include multi-wavelength diffraction to aid in protein structure determination and X-ray diffraction imaging.
C1 [Muir, Ryan D.; Pogranichniy, Nicholas R.; Sullivan, Shane Z.; Toth, Scott J.; Keefe, Lisa J.; Simpson, Garth J.] Purdue Univ, Dept Chem, W Lafayette, IN 47906 USA.
[Muir, J. Lewis; Battaile, Kevin P.; Mulichak, Anne M.] Argonne Natl Lab, Hauptman Woodward Med Res Inst, IMCA CAT, Argonne, IL 60439 USA.
RP Muir, RD (reprint author), Purdue Univ, Dept Chem, 560 Oval Dr, W Lafayette, IN 47906 USA.
OI Battaile, Kevin/0000-0003-0833-3259
FU NIGMS NIH HHS [R01 GM103401, R01 GM103910]
NR 13
TC 0
Z9 0
U1 0
U2 3
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-491-2
J9 PROC SPIE
PY 2015
VL 9401
AR 940109
DI 10.1117/12.2079548
PG 5
WC Engineering, Electrical & Electronic; Optics; Imaging Science &
Photographic Technology
SC Engineering; Optics; Imaging Science & Photographic Technology
GA BC5AJ
UT WOS:000353126600007
PM 27041789
ER
PT S
AU Sreehari, S
Venkatakrishnan, SV
Drummy, LF
Simmons, JP
Bouman, CA
AF Sreehari, Suhas
Venkatakrishnan, S. V.
Drummy, Lawrence F.
Simmons, Jeffrey P.
Bouman, Charles A.
BE Bouman, CA
Sauer, KD
TI Advanced Prior Modeling for 3D Bright Field Electron Tomography
SO COMPUTATIONAL IMAGING XIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Computational Imaging XIII
CY FEB 10-11, 2015
CL San Francisco, CA
SP Soc Imaging Sci & Technol, SPIE
DE Non-local means; plug-and-play; bright field; 3D tomography
ID NONLOCAL-MEANS; RECONSTRUCTION; FRAMEWORK; ALGORITHM; IMAGES
AB Many important imaging problems in material science involve reconstruction of images containing repetitive non-local structures. Model-based iterative reconstruction (MBIR) could in principle exploit such redundancies through the selection of a log prior probability term. However, in practice, determining such a log prior term that accounts for the similarity between distant structures in the image is quite challenging. Much progress has been made in the development of denoising algorithms like non-local means and BM3D, and these are known to successfully capture non-local redundancies in images. But the fact that these denoising operations are not explicitly formulated as cost functions makes it unclear as to how to incorporate them in the MBIR framework.
In this paper, we formulate a solution to bright field electron tomography by augmenting the existing bright field MBIR method to incorporate any non-local denoising operator as a prior model. We accomplish this using a framework we call plug-and-play priors that decouples the log likelihood and the log prior probability terms in the MBIR cost function. We specifically use 3D non-local means (NLM) as the prior model in the plug-and-play framework, and showcase high quality tomographic reconstructions of a simulated aluminum spheres dataset, and two real datasets of aluminum spheres and ferritin structures. We observe that streak and smear artifacts are visibly suppressed, and that edges are preserved. Also, we report lower RMSE values compared to the conventional MBIR reconstruction using qGGMRF as the prior model.
C1 [Sreehari, Suhas; Bouman, Charles A.] Purdue Univ, Sch ECE, W Lafayette, IN 47907 USA.
[Venkatakrishnan, S. V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Drummy, Lawrence F.; Simmons, Jeffrey P.] Air Force Res Lab, Dayton, OH USA.
RP Sreehari, S (reprint author), Purdue Univ, Sch ECE, W Lafayette, IN 47907 USA.
EM ssreehar@purdue.edu
NR 26
TC 1
Z9 1
U1 0
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-491-2
J9 PROC SPIE
PY 2015
VL 9401
AR 940108
DI 10.1117/12.2185603
PG 12
WC Engineering, Electrical & Electronic; Optics; Imaging Science &
Photographic Technology
SC Engineering; Optics; Imaging Science & Photographic Technology
GA BC5AJ
UT WOS:000353126600006
ER
PT S
AU Moen, EK
Beier, HT
Thompson, GL
Armani, AM
Ibey, BL
AF Moen, Erick K.
Beier, Hope T.
Thompson, Gary L.
Armani, Andrea M.
Ibey, Bennett L.
BE Ryan, TP
TI Nonlinear Imaging of Lipid Membrane Alterations Elicited by Nanosecond
Pulsed Electric Fields
SO ENERGY-BASED TREATMENT OF TISSUE AND ASSESSMENT VIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT SPIE Conference on Energy-Based Treatment of Tissue and Assessment VIII
CY FEB 08-09, 2015
CL San Francisco, CA
SP SPIE
ID ELECTROPORATION
AB Second Harmonic Generation (SHG) imaging is a useful tool for examining the structure of interfaces between bulk materials. Recently, this technique was applied to detecting subtle perturbations in the structure of cellular membranes following nanosecond pulsed electric field (nsPEF) exposure. Monitoring the cell's outer membrane as it is exposed to nsPEF via SHG has demonstrated that nanoporation is likely the root cause for size-specific, increased cytoplasmic membrane permeabilization. It is theorized that the area of the membrane covered by these pores is tied to pulse intensity or duration. The extent of this effect along the cell's surface, however, has never been measured due to its temporal brevity and minute pore size. By enhancing the SHG technique developed and elucidated previously, we are able to obtain this information. Further, we vary the pulse width and amplitude of the applied stimulus to explore the mechanical changes of the membrane at various sites around the cell. By using this unique SHG imaging technique to directly visualize the change in order of phospholipids within the membrane, we are able to better understand the complex response of living cells to electric pulses.
C1 [Moen, Erick K.; Armani, Andrea M.] Univ So Calif, Ming Hsieh Dept Elect Engn Electrophys, Los Angeles, CA 90095 USA.
[Beier, Hope T.] JBSA Ft Sam Houston, Human Performance Wing 711, Air Force Res Lab,Opt Radiat Bioeffects Branch, Bioeffects Div,Human Effectiveness Directorate, San Antonio, TX USA.
[Thompson, Gary L.] JBSA Ft Sam Houston, Oak Ridge Inst Sci & Educ, San Antonio, TX USA.
[Ibey, Bennett L.] JBSA Ft Sam Houston, Human Performance Wing 711, Human Effectiveness Directorate,Air Force Res Lab, Radio Frequency Bioeffects Branch,Bioeffects Div, San Antonio, TX USA.
RP Moen, EK (reprint author), Univ So Calif, Ming Hsieh Dept Elect Engn Electrophys, 920 Bloom Walk,SSC 502, Los Angeles, CA 90095 USA.
NR 7
TC 0
Z9 0
U1 2
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-416-5
J9 PROC SPIE
PY 2015
VL 9326
AR 93260T
DI 10.1117/12.2079452
PG 5
WC Engineering, Biomedical; Optics; Radiology, Nuclear Medicine & Medical
Imaging
SC Engineering; Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BC5SU
UT WOS:000353555600027
ER
PT J
AU Vanston, CR
Kearley, GJ
Edwards, AJ
Darwish, TA
de Souza, NR
Ramirez-Cuesta, AJ
Gardiner, MG
AF Vanston, C. R.
Kearley, G. J.
Edwards, A. J.
Darwish, T. A.
de Souza, N. R.
Ramirez-Cuesta, A. J.
Gardiner, M. G.
TI The free-energy barrier to hydride transfer across a dipalladium complex
SO FARADAY DISCUSSIONS
LA English
DT Article
ID AUGMENTED-WAVE METHOD; MOLECULAR-DYNAMICS; NEUTRON-SCATTERING;
PALLADIUM-HYDRIDE; HYDROGEN STORAGE; CLUSTER; COPOLYMERIZATION;
REDUCTION; CATALYSIS; RELEVANT
AB We use density-functional theory molecular dynamics (DFT-MD) simulations to determine the hydride transfer coordinate between palladium centres of the crystallographically observed terminal hydride locations, Pd-Pd-H, originally postulated for the solution dynamics of the complex bis-NHC dipalladium hydride [{(MesIm)(2)CH2}(2)Pd2H][PF6], and then calculate the free-energy along this coordinate. We estimate the transfer barrier-height to be about 20 kcal mol(-1) with a hydride transfer rate in the order of seconds at room temperature. We validate our DFT-MD modelling using inelastic neutron scattering which reveals anharmonicity of the hydride environment that is so pronounced that there is complete failure of the harmonic model for the hydride ligand. The simulations are extended to high temperature to bring the H-transfer to a rate that is accessible to the simulation technique.
C1 [Vanston, C. R.; Gardiner, M. G.] Univ Tasmania, Sch Phys Sci Chem, Hobart, Tas, Australia.
[Kearley, G. J.; Edwards, A. J.; Darwish, T. A.; de Souza, N. R.] Australian Nucl Sci & Technol Org, Bragg Inst, Kirrawee Dc, NSW 2232, Australia.
[Ramirez-Cuesta, A. J.] Oak Ridge Natl Lab, Chem & Engn Div, Oak Ridge, TN 37831 USA.
RP Gardiner, MG (reprint author), Univ Tasmania, Sch Phys Sci Chem, Private Bag 75, Hobart, Tas, Australia.
EM Michael.Gardiner@utas.edu.au
RI Ramirez-Cuesta, Timmy/A-4296-2010;
OI Ramirez-Cuesta, Timmy/0000-0003-1231-0068; Gardiner,
Michael/0000-0001-6373-4253
FU Access to Major Research Facilities Program (AMRFP); AINSE; University
of Tasmania; Australian Research Council
FX We would like to acknowledge beamtime on TOSCA at the ISIS facility,
Oxford and the National Deuteration Facility, ANSTO for access via
proposal NDF1196. Thanks to the Access to Major Research Facilities
Program (AMRFP) for travel funding. Thanks to AINSE (for Research Awards
and Postgraduate Research Award to CRV), the University of Tasmania
(scholarship support for CRV) and the Australian Research Council for
major project funding (Discovery Grant).
NR 26
TC 1
Z9 1
U1 0
U2 8
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-6640
EI 1364-5498
J9 FARADAY DISCUSS
JI Faraday Discuss.
PY 2015
VL 177
BP 99
EP 109
DI 10.1039/c4fd00182f
PG 11
WC Chemistry, Physical
SC Chemistry
GA CG1LO
UT WOS:000353034300007
PM 25652724
ER
PT J
AU Marino, A
Buron-Le Cointe, M
Lorenc, M
Toupet, L
Henning, R
DiChiara, AD
Moffat, K
Brefueld, N
Collet, E
AF Marino, A.
Buron-Le Cointe, M.
Lorenc, M.
Toupet, L.
Henning, R.
DiChiara, A. D.
Moffat, K.
Brefueld, N.
Collet, E.
TI Out-of-equilibrium dynamics of photoexcited spin-state concentration
waves
SO FARADAY DISCUSSIONS
LA English
DT Article
ID CROSSOVER COMPOUND; TRANSITION; COMPLEXES; SPECTROSCOPY; PHASE
AB The spin crossover compound [(FeH2L2-Me)-H-II][PF6](2) presents a two-step phase transition. In the intermediate phase, a spin state concentration wave (SSCW) appears resulting from a symmetry breaking (cell doubling) associated with a long-range order of alternating high and low spin molecular states. By combining time-resolved optical and X-ray diffraction measurements on a single crystal, we study how such a system responds to femtosecond laser excitation and we follow in real time the erasing and rewriting of the SSCW.
C1 [Marino, A.; Buron-Le Cointe, M.; Lorenc, M.; Toupet, L.; Collet, E.] Univ Rennes 1, CNRS, UMR 6251, Inst Phys Rennes, F-35042 Rennes, France.
[Henning, R.; Moffat, K.] Univ Chicago, Ctr Adv Radiat Sources, Chicago, IL 60637 USA.
[DiChiara, A. D.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Brefueld, N.] CEA CNRS, OMNT, F-38053 Grenoble, France.
RP Buron-Le Cointe, M (reprint author), Univ Rennes 1, CNRS, UMR 6251, Inst Phys Rennes, F-35042 Rennes, France.
EM marylise.buron@univ-rennes1.fr; eric.collet@univ-rennes1.fr
RI Lorenc, Maciej/N-7594-2014; buron-le cointe, marylise/N-7592-2014;
Collet, Eric/N-8816-2013
OI Collet, Eric/0000-0003-0810-7411
FU CNRS; Region Bretagne; Institut Universitaire de France, Rennes
Metropole; ANR [ANR-13-BS04-0002]; European Regional Development Fund
(FEDER); NIH [R24 GM111072]; University of Chicago through "France and
Chicago Collaborating in the Sciences" (FACCTS) program; DOE Office of
Science by Argonne National Laboratory [DE-AC02-06CH11357]
FX This work was supported by the CNRS and Region Bretagne (PhD support of
A.M.), the Institut Universitaire de France, Rennes Metropole, the ANR
(ANR-13-BS04-0002) and the European Regional Development Fund (FEDER).
BioCARS is funded by NIH grant R24 GM111072 to K.M. K.M. and E.C. thank
the University of Chicago for funding through the "France and Chicago
Collaborating in the Sciences" (FACCTS) program. 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 32
TC 6
Z9 6
U1 0
U2 11
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-6640
EI 1364-5498
J9 FARADAY DISCUSS
JI Faraday Discuss.
PY 2015
VL 177
BP 363
EP 379
DI 10.1039/c4fd00164h
PG 17
WC Chemistry, Physical
SC Chemistry
GA CG1LO
UT WOS:000353034300022
PM 25627455
ER
PT J
AU Hunt, AJ
Matharu, AS
King, AH
Clark, JH
AF Hunt, Andrew J.
Matharu, Avtar S.
King, Alexander H.
Clark, James H.
TI The importance of elemental sustainability and critical element recovery
SO GREEN CHEMISTRY
LA English
DT Editorial Material
C1 [Hunt, Andrew J.; Matharu, Avtar S.; Clark, James H.] Univ York, Green Chem Ctr Excellence, Dept Chem, York YO10 5DD, N Yorkshire, England.
[King, Alexander H.] USDA, Ames Lab, Crit Mat Inst, Ames, IA 50011 USA.
RP Hunt, AJ (reprint author), Univ York, Green Chem Ctr Excellence, Dept Chem, York YO10 5DD, N Yorkshire, England.
EM andrew.hunt@york.ac.uk
RI King, Alexander/P-6497-2015;
OI King, Alexander/0000-0001-7101-6585; Hunt, Andrew/0000-0003-3983-8313
NR 5
TC 8
Z9 8
U1 4
U2 27
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 2015
VL 17
IS 4
BP 1949
EP 1950
DI 10.1039/c5gc90019k
PG 2
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA CF7GL
UT WOS:000352724200001
ER
PT J
AU Mante, OD
Rodriguez, JA
Senanayake, SD
Babu, SP
AF Mante, Ofei D.
Rodriguez, Jose A.
Senanayake, Sanjaya D.
Babu, Suresh P.
TI Catalytic conversion of biomass pyrolysis vapors into hydrocarbon fuel
precursors
SO GREEN CHEMISTRY
LA English
DT Article
ID C COUPLING REACTIONS; ACETIC-ACID; PHASE KETONIZATION; CARBOXYLIC-ACIDS;
OXIDES; CERIA; OIL; KETONES
AB We report on a new pyrolytic pathway for biomass conversion to hydrocarbon fuel precursors. The process entails the conversion of multifunctional oxygenates generated from biomass pyrolysis over a metal oxide catalyst into ketonic-rich monofunctional molecules suitable for making hydrocarbon fuel components for gasoline, diesel, and jet fuel. A number of catalysts were explored, for example, anatase TiO2 nanorods, CeOx-TiO2 mixed oxides, pure CeO2, ZrO2, and MgO. Under pyrolysis conditions, ceria-based catalysts were effective in the conversion of hydroxy-carbonyls, anhydrosugars, and carboxylic acids into acetone, 2-butanone, pentanones, C6/C7 ketones, cyclopentanone, and 2-cyclopentenones. The highest carbon yield (23.5%) of ketonic precursors was achieved on the pure CeO2.
C1 [Mante, Ofei D.; Babu, Suresh P.] Brookhaven Natl Lab, Sustainable Energy Technol Dept, Upton, NY 11973 USA.
[Rodriguez, Jose A.; Senanayake, Sanjaya D.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Mante, OD (reprint author), Brookhaven Natl Lab, Sustainable Energy Technol Dept, Upton, NY 11973 USA.
EM nmante@bnl.gov
RI Mante, Ofei/E-8513-2014; Senanayake, Sanjaya/D-4769-2009
OI Mante, Ofei/0000-0002-0960-2943; Senanayake, Sanjaya/0000-0003-3991-4232
FU Brookhaven National Laboratory Internal Funding, LDRD project [19086]
FX The authors acknowledge financial support from Brookhaven National
Laboratory Internal Funding, LDRD project #19086. Dr Weiqiang Han
(formerly of the Center for Functional Nanomaterials at BNL) is
acknowledged for the synthesis of the anatase TiO2 nanorods.
We would also like to thank Dr Shankhamala Kundu for catalyst
impregnation efforts.
NR 27
TC 2
Z9 2
U1 7
U2 34
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 2015
VL 17
IS 4
BP 2362
EP 2368
DI 10.1039/c4gc02238f
PG 7
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA CF7GL
UT WOS:000352724200040
ER
PT J
AU Neupane, S
Adhikari, S
Wang, Z
Ragauskas, AJ
Pu, Y
AF Neupane, S.
Adhikari, S.
Wang, Z.
Ragauskas, A. J.
Pu, Y.
TI Effect of torrefaction on biomass structure and hydrocarbon production
from fast pyrolysis
SO GREEN CHEMISTRY
LA English
DT Article
ID CATALYTIC FAST PYROLYSIS; BIO-OIL; LOBLOLLY-PINE; LIGNIN; CELLULOSE;
WOOD; LEVOGLUCOSAN; PRETREATMENT; TEMPERATURE; CHEMISTRY
AB Torrefaction has been shown to improve the chemical composition of bio-oils produced from fast pyrolysis by lowering its oxygen content and enhancing the aromatic yield. A Py-GC/MS study was employed to investigate the effect of torrefaction temperatures (225, 250 and 275 degrees C) and residence times (15, 30 and 45 min) on product distribution from non-catalytic and H(+)ZSM-5 catalyzed pyrolysis of pinewood. During torrefaction, structural transformations in biomass constitutive polymers: hemicellulose, cellulose and lignin took place, which were evaluated using component analysis, solid state CP/MAS C-13 NMR and XRD techniques. Torrefaction caused deacetylation and decomposition of hemicellulose, cleavage of aryl ether linkages and demethoxylation of lignin, degradation of cellulose and an overall increase in aromaticity of biomass, all of which affected the product yield from pyrolysis of torrefied biomass. For non-catalytic pyrolysis, selectivity of phenolic compounds increased with an increase in torrefaction severity while that of furan compounds decreased. In the case of catalytic pyrolysis, the sample torrefied at 225 degrees C-30 min and 250 degrees C-15 min resulted in a significant increase in aromatic hydrocarbon (HC) and also total carbon yield (approx. 1.6 times higher) as compared to catalytic pyrolysis of non-torrefied pine. Cleavage of aryl ether linkages and demethoxylation in lignin due to torrefaction caused increased yield of phenolic compounds, which in the presence of a catalyst were dehydrated to form aromatic HC.
C1 [Neupane, S.; Adhikari, S.; Wang, Z.] Auburn Univ, Biosyst Engn Dept, Auburn, AL 36849 USA.
[Ragauskas, A. J.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Pu, Y.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
RP Neupane, S (reprint author), Auburn Univ, Biosyst Engn Dept, Auburn, AL 36849 USA.
EM sushil.adhikari@auburn.edu
RI Pu, Yunqiao/H-3206-2016
OI Pu, Yunqiao/0000-0003-2554-1447
FU National Science Foundation [NSF-CBET-1333372]
FX The authors acknowledge the National Science Foundation
(NSF-CBET-1333372) for funding this study. Also, the authors would like
to thank Mr Chad Carter for preparing torrefied biomass samples for this
study. However, only the authors are responsible for any remaining
errors in this paper.
NR 49
TC 19
Z9 19
U1 6
U2 58
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 2015
VL 17
IS 4
BP 2406
EP 2417
DI 10.1039/c4gc02383h
PG 12
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA CF7GL
UT WOS:000352724200046
ER
PT J
AU Schwaiger, N
Elliott, DC
Ritzberger, J
Wang, H
Pucher, P
Siebenhofer, M
AF Schwaiger, N.
Elliott, D. C.
Ritzberger, J.
Wang, H.
Pucher, P.
Siebenhofer, M.
TI Hydrocarbon liquid production via the bioCRACK process and catalytic
hydroprocessing of the product oil
SO GREEN CHEMISTRY
LA English
DT Article
ID BIO-OIL; BIOCHAR LIQUEFACTION; PHASE PYROLYSIS
AB Continuous hydroprocessing of liquid phase pyrolysis Bio-oil, provided by BDI-BioEnergy International bioCRACK pilot plant at OMV Refinery in Schwechat/Vienna Austria was investigated. These hydroprocessing tests showed promising results using catalytic hydroprocessing strategies developed for unfractionated Bio-oil. A sulfided base metal catalyst (CoMo on Al2O3) was evaluated. The bed of catalyst was operated at 400 degrees C in a continuous-flow reactor at a pressure of 12.1 MPa with flowing hydrogen. The condensed liquid products were analyzed and found that the hydrocarbon liquid was significantly hydrotreated so that nitrogen and sulfur were below the level of detection (<0.05), while the residual oxygen ranged from 0.7 to 1.2%. The density of the products varied from 0.71 g mL(-1) up to 0.79 g mL(-1) with a correlated change of the hydrogen to carbon atomic ratio from 2.1 down to 1.9. The product quality remained high throughout the extended tests suggesting minimal loss of catalyst activity through the test. These tests provided the data needed to assess the quality of liquid fuel products obtained from the bioCRACK process as well as the activity of the catalyst for comparison with products obtained from hydrotreated fast pyrolysis Bio-oils from fluidized-bed operation.
C1 [Schwaiger, N.; Siebenhofer, M.] Graz Univ Technol, Cent Lab Biobased Prod, NAWI Graz, Inst Chem Engn & Environm Technol, A-8010 Graz, Austria.
[Elliott, D. C.; Wang, H.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Schwaiger, N.; Ritzberger, J.; Pucher, P.] BDI BioEnergy Int AG, A-8074 Graz, Austria.
RP Schwaiger, N (reprint author), Graz Univ Technol, Cent Lab Biobased Prod, NAWI Graz, Inst Chem Engn & Environm Technol, Inffeldgasse 25-C, A-8010 Graz, Austria.
EM nikolaus.schwaiger@tugraz.at
FU U.S. Department of Energy, Bio-oil Stabilization and Commoditization FOA
at the Pacific Northwest National Laboratory [0686, DE-AC05-76RL01830];
BDI-BioEnergy International AG
FX This research work was supported by BDI-BioEnergy International AG under
Work-For-Others contract. The preparation of the publication was
performed with support from the U.S. Department of Energy as part of the
Bio-oil Stabilization and Commoditization FOA #0686 under Contract No.
DE-AC05-76RL01830 at the Pacific Northwest National Laboratory. The
authors gratefully acknowledge the support of the Bioenergy Technologies
Office and program manager Prasad Gupta. Suh-Jane Lee and Asanga
Padmaperuma are acknowledged for their participation in the operations
of the minihydrotreater.
NR 19
TC 6
Z9 6
U1 1
U2 19
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 2015
VL 17
IS 4
BP 2487
EP 2494
DI 10.1039/c4gc02344g
PG 8
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA CF7GL
UT WOS:000352724200055
ER
PT S
AU Oktem, R
Dafflon, B
Peterson, JE
Hubbard, SS
AF Oektem, Rusen
Dafflon, Baptiste
Peterson, John E.
Hubbard, Susan S.
BE Lam, EY
Niel, KS
TI Monitoring Arctic Landscape Variation by Pole and Kite Mounted Cameras
SO IMAGE PROCESSING: MACHINE VISION APPLICATIONS VIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Image Processing - Machine Vision Applications VIII
CY FEB 10-11, 2015
CL San Francisco, CA
SP Soc Imaging Sci & Technol, SPIE
DE vegetation monitoring; landscape monitoring; segmentation; feature
extraction
AB Optic surveillance is an important part of monitoring environmental changes in various ecological settings. Although remote sensing provides extensive data, its resolution is yet not sufficient for scientific research focusing on small spatial scale landscape variations. We are interested in exploiting high resolution image data to observe and investigate the landscape variations at a small spatial scale arctic corridor in Barrow, AK, as part of the DOE Next-Generation Ecosystem Experiments (NGEE-Arctic). A 35 m transect is continuously imaged by two separate pole mounted consumer grade stationary cameras, one capturing in NIR and the other capturing in visible range, starting from June to August in 2014. Surface and subsurface features along this 35 m transect are also sampled by electrical resistivity tomography (ERT), temperature loggers and water content reflectometers. We track the behavioral change along this transect by collecting samples from the pole images and look for a relation between the image features and electrical conductivity. Results show that the correlation coefficient between inferred vegetation indices and soil electrical resistivity (closely related to water content) increased during the growing season, reaching a correlation of 0.89 at the peak of the vegetation. To extrapolate such results to a larger scale, we use a high resolution RGB map of a 500x40 m corridor at this site, which is occasionally obtained using a low-altitude kite mounted consumer grade (RGB) camera. We introduce a segmentation algorithm that operates on the mosaic generated from the kite images to classify the landscape features of the corridor.
C1 [Oektem, Rusen] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.
[Dafflon, Baptiste; Peterson, John E.; Hubbard, Susan S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Oktem, R (reprint author), Univ Calif Berkeley, Dept Earth & Planetary Sci, 307 Mc Cone Hall, Berkeley, CA 94720 USA.
EM roktem@lbl.gov
RI Dafflon, Baptiste/G-2441-2015; Hubbard, Susan/E-9508-2010
NR 6
TC 0
Z9 0
U1 2
U2 8
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-495-0
J9 PROC SPIE
PY 2015
VL 9405
AR 940505
PG 7
WC Computer Science, Artificial Intelligence; Optics; Imaging Science &
Photographic Technology
SC Computer Science; Optics; Imaging Science & Photographic Technology
GA BC5JO
UT WOS:000353328200003
ER
PT S
AU Ruggiero, C
Ross, A
Porter, R
AF Ruggiero, Christy
Ross, Amy
Porter, Reid
BE Lam, EY
Niel, KS
TI Segmentation and Learning in the Quantitative Analysis of Microscopy
Images
SO Image Processing: Machine Vision Applications VIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Image Processing - Machine Vision Applications VIII
CY FEB 10-11, 2015
CL San Francisco, CA
SP Soc Imaging Sci & Technol, SPIE
DE segmentation; supervised segmentation; image quantification; microscopy;
material science
ID INTERACTIVE SEGMENTATION; SCIENCE
AB In material science and bio-medical domains the quantity and quality of microscopy images is rapidly increasing and there is a great need to automatically detect, delineate and quantify particles, grains, cells, neurons and other functional " objects" within these images. These are challenging problems for image processing because of the variability in object appearance that inevitably arises in real world image acquisition and analysis. One of the most promising (and practical) ways to address these challenges is interactive image segmentation. These algorithms are designed to incorporate input from a human operator to tailor the segmentation method to the image at hand. Interactive image segmentation is now a key tool in a wide range of applications in microscopy and elsewhere. Historically, interactive image segmentation algorithms have tailored segmentation on an image-by-image basis, and information derived from operator input is not transferred between images. But recently there has been increasing interest to use machine learning in segmentation to provide interactive tools that accumulate and learn from the operator input over longer periods of time. These new learning algorithms reduce the need for operator input over time, and can potentially provide a more dynamic balance between customization and automation for different applications. This paper reviews the state of the art in this area, provides a unified view of these algorithms, and compares the segmentation performance of various design choices.
C1 [Ruggiero, Christy] Los Alamos Natl Lab, Nucl Engn & Nonproliferat, Los Alamos, NM 87545 USA.
[Ross, Amy] Los Alamos Natl Lab, Nucl Mat Sci, Los Alamos, NM 87545 USA.
[Porter, Reid] Los Alamos Natl Lab, Intelligence & Space Res, Los Alamos, NM 87545 USA.
RP Ruggiero, C (reprint author), Los Alamos Natl Lab, Nucl Engn & Nonproliferat, POB 1663, Los Alamos, NM 87545 USA.
EM rporter@lanl.gov
NR 25
TC 0
Z9 0
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-495-0
J9 PROC SPIE
PY 2015
VL 9405
AR 94050L
PG 9
WC Computer Science, Artificial Intelligence; Optics; Imaging Science &
Photographic Technology
SC Computer Science; Optics; Imaging Science & Photographic Technology
GA BC5JO
UT WOS:000353328200017
ER
PT J
AU Garanin, SF
Kuznetsov, SD
Reinovsky, RE
AF Garanin, S. F.
Kuznetsov, S. D.
Reinovsky, R. E.
TI Feasibility of warm dense matter generation using aluminum and copper
foil electric explosion under the PHELIX facility current drive
SO JOURNAL OF APPLIED MECHANICS AND TECHNICAL PHYSICS
LA English
DT Article
DE warm dense matter; equation of state; electric explosion; Joule heating
AB This paper investigates the feasibility of using the PHELIX facility for generation of warm dense matter (WDM), i.e., substance at densities of the order of 0.01-1.00 of the solid matter density and a temperature of 1-10 eV, by electric explosion of a thin cylindrical metal foil enclosed in an insulator. It has been shown this system can be used to produce a significant volume of uniform WDM with a density of 0.1-1.0 g/cm(3) and a temperature of 3-4 eV, sufficient for electrical measurements. A method of determining WDM parameters based on electrical measurements and foil boundary velocimetry is described.
C1 [Garanin, S. F.; Kuznetsov, S. D.] Russian Federat Nucl Ctr, Inst Expt Phys VNIIEF, Sarov 607188, Russia.
[Reinovsky, R. E.] Los Alamos Natl Lab, Los Alamos, NM USA.
RP Garanin, SF (reprint author), Russian Federat Nucl Ctr, Inst Expt Phys VNIIEF, Sarov 607188, Russia.
EM sfgar@vniief.ru; S.D.Kuznetsov@vniief.ru; bobr@lanl.gov
NR 13
TC 0
Z9 0
U1 0
U2 3
PU MAIK NAUKA/INTERPERIODICA/SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA
SN 0021-8944
EI 1573-8620
J9 J APPL MECH TECH PH+
JI J. Appl. Mech. Tech. Phys.
PD JAN
PY 2015
VL 56
IS 1
BP 10
EP 15
DI 10.1134/S0021894415010022
PG 6
WC Mechanics; Physics, Applied
SC Mechanics; Physics
GA CF9QB
UT WOS:000352899300002
ER
PT J
AU Yin, WJ
Yang, JH
Kang, J
Yan, YF
Wei, SH
AF Yin, Wan-Jian
Yang, Ji-Hui
Kang, Joongoo
Yan, Yanfa
Wei, Su-Huai
TI Halide perovskite materials for solar cells: a theoretical review
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Review
ID HOLE-CONDUCTOR-FREE; METHYLAMMONIUM LEAD IODIDE; QUASI-RANDOM
STRUCTURES; ELECTRONIC-PROPERTIES; HIGH-EFFICIENCY; 1ST-PRINCIPLES
CALCULATION; PHOTOVOLTAIC MATERIALS; SEQUENTIAL DEPOSITION;
STRUCTURAL-PROPERTIES; BROMIDE PEROVSKITE
AB Halide perovskites have recently emerged as promising materials for low-cost, high-efficiency solar cells. The efficiency of perovskite-based solar cells has increased rapidly, from 3.8% in 2009 to 19.3% in 2014, by using the all-solid-state thin-film architecture and engineering cell structures with mixed-halide perovskites. The emergence of perovskite solar cells revolutionized the field not only because of their rapidly increased efficiency, but also flexibility in material growth and architecture. The superior performance of the perovskite solar cells suggested that perovskite materials possess intrinsically unique properties. In this review, we summarize recent theoretical investigations into the structural, electrical, and optical properties of halide perovskite materials in relation to their applications in solar cells. We also discuss some current challenges of using perovskites in solar cells, along with possible theoretical solutions.
C1 [Yin, Wan-Jian; Yang, Ji-Hui; Kang, Joongoo; Wei, Su-Huai] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Yin, Wan-Jian; Yan, Yanfa] Univ Toledo, Dept Phys & Astron, Toledo, OH 43606 USA.
RP Yin, WJ (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM wan-jian.yin@nrel.gov; suhuai.wei@nrel.gov
RI Yin, Wanjian/F-6738-2013
FU U.S. Department of Energy [DE-AC36-08GO28308]; National Renewable Energy
Laboratory; DOE Office of Energy Efficiency and Renewable Energy; Office
of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; Ohio
Research Scholar Program
FX This research was funded by the U.S. Department of Energy under Grant
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. This work used the NREL Peregrine Supercomputer,
the Ohio Supercomputer Center and the National Energy Research
Scientific Computing Center, which is supported by the Office of Science
of the U.S. Department of Energy under Contract no. DE-AC02-05CH11231.
Y.Y. acknowledges the support of the Ohio Research Scholar Program.
NR 138
TC 171
Z9 171
U1 106
U2 559
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 2015
VL 3
IS 17
BP 8926
EP 8942
DI 10.1039/c4ta05033a
PG 17
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CG6OF
UT WOS:000353420800002
ER
PT J
AU Zhao, YX
Zhu, K
AF Zhao, Yixin
Zhu, Kai
TI Three-step sequential solution deposition of PbI2-free CH3NH3PbI3
perovskite
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID ORGANOMETAL HALIDE PEROVSKITES; SOLUTION-PROCESSED PEROVSKITE;
SENSITIZED SOLAR-CELL; CHARGE-TRANSPORT; EFFICIENT; TIO2; RECOMBINATION;
PHOTOVOLTAICS
AB We demonstrate a three-step sequential solution process to prepare PbI2-free CH3NH3PbI3 perovskite films. In this three-step method, a thermally unstable stoichiometric PbI2 center dot CH3NH3Cl precursor film is first deposited on the mesoporous TiO2 substrate, followed by thermal decomposition to form PbI2, which is finally converted into CH3NH3PbI3 by dipping in a regular isopropanol solution of CH3NH3I at room temperature. In comparison to the two-step approach using similar processing conditions, the three-step method enables the formation of the PbI2 film through the thermal decomposition of the PbI2 center dot CH3NH3Cl precursor film. This facilitates a rapid conversion of PbI2 to CH3NH3PbI3 without any traceable residue PbI2 in the final conversion step, leading to an improved device performance.
C1 [Zhao, Yixin] Shanghai Jiao Tong Univ, Sch Environm Sci & Engn, Shanghai 200240, Peoples R China.
[Zhu, Kai] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA.
RP Zhao, YX (reprint author), Shanghai Jiao Tong Univ, Sch Environm Sci & Engn, 800 Dongchuan Rd, Shanghai 200240, Peoples R China.
EM yixin.zhao@sjtu.edu.cn; kai.zhu@nrel.gov
RI Zhao, Yixin/D-2949-2012
FU NSFC [51372151, 21303103]; U.S. Department of Energy/National Renewable
Energy Laboratory's Laboratory Directed Research and Development (LDRD)
program [DE-AC36-08GO28308]
FX YZ is thankful for the support of the NSFC (Grant 51372151 and
21303103). KZ acknowledges the support by the U.S. Department of
Energy/National Renewable Energy Laboratory's Laboratory Directed
Research and Development (LDRD) program under Contract no.
DE-AC36-08GO28308.
NR 30
TC 30
Z9 32
U1 9
U2 70
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 2015
VL 3
IS 17
BP 9086
EP 9091
DI 10.1039/c4ta05384b
PG 6
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CG6OF
UT WOS:000353420800017
ER
PT J
AU Zhou, YY
Yang, MJ
Vasiliev, AL
Garces, HF
Zhao, YX
Wang, D
Pang, SP
Zhu, K
Padture, NP
AF Zhou, Yuanyuan
Yang, Mengjin
Vasiliev, Alexander L.
Garces, Hector F.
Zhao, Yixin
Wang, Dong
Pang, Shuping
Zhu, Kai
Padture, Nitin P.
TI Growth control of compact CH3NH3PbI3 thin films via enhanced solid-state
precursor reaction for efficient planar perovskite solar cells
SO Journal of Materials Chemistry A
LA English
DT Article
ID VAPOR-DEPOSITION; HOLE-CONDUCTOR; HETEROJUNCTION; IODIDE; CHEMISTRY;
LENGTHS; LIGHT
AB CH3NH3PbI3 (MAPbI(3)) perovskite thin films that are solution-processed using either a one-step or two-step conventional method typically contain a significant number of defects (voids, pinholes) or PbI2 impurities, which have a detrimental effect on the performance of planar perovskite solar cells (PSCs) fabricated using those films. To overcome this issue, we show that enhancement of the solid-state reaction between inorganic-organic precursors is an effective route for the growth of compact, phase-pure MAPbI(3) perovskite thin films with no voids or pinholes. To ensure uniform solid-state conversion (MAI + PbI2 -> MAPbI(3)) across the entire film thickness, a new successive spin coating/annealing (SSCA) process is used, where MAI is repeatedly infiltrated into a nanoporous PbI2 film, followed by thermal annealing. The mechanisms involved in the SSCA process are elucidated by monitoring the evolution of the phases during the reaction. Owing to these desirable characteristics (high-purity, full-coverage, enhanced smoothness and compactness) of the SSCA MAPbI(3) films, planar PSCs based on these perovskite thin films delivered a maximum power conversion efficiency (PCE) close to 15%. Furthermore, PSCs fabricated using partially converted nanoporous PbI2 thin films delivered a surprising PCE approaching 10%, suggesting continuous MAPbI(3) phase formation throughout the entire film at each spin coating/annealing process. The advantages gained from enhancing the solid-state precursor reactions allow better control of the growth of the perovskite making the SSCA process more robust.
C1 [Zhou, Yuanyuan; Vasiliev, Alexander L.; Garces, Hector F.; Padture, Nitin P.] Brown Univ, Sch Engn, Providence, RI 02912 USA.
[Yang, Mengjin; Zhu, Kai] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA.
[Zhao, Yixin] Shanghai Jiao Tong Univ, Sch Environm Sci & Engn, Shanghai 200240, Peoples R China.
[Wang, Dong; Pang, Shuping] Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, Qingdao 266101, Peoples R China.
RP Padture, NP (reprint author), Brown Univ, Sch Engn, Providence, RI 02912 USA.
EM nitin_padture@brown.edu
RI Zhao, Yixin/D-2949-2012; Zhou, Yuanyuan/G-2173-2011; Vasiliev,
Alexander/E-9855-2014; Padture, Nitin/A-9746-2009
OI Zhou, Yuanyuan/0000-0002-8364-4295; Vasiliev,
Alexander/0000-0001-7884-4180; Padture, Nitin/0000-0001-6622-8559
FU National Science Foundation [DMR-1305913]; Brown University Graduate
School; U.S. Department of Energy [DE-AC36-08-GO28308]; U.S. Department
of Energy (DOE) SunShot Initiative [DE-FOA-0000990]
FX This study was supported by a grant from the National Science Foundation
(Grant no. DMR-1305913) and the Brown University Graduate School, and
the work at the National Renewable Energy Laboratory was supported by
the U.S. Department of Energy under Contract no. DE-AC36-08-GO28308.
M.Y. and K.Z. acknowledge the support by the U.S. Department of Energy
(DOE) SunShot Initiative under the Next Generation Photovoltaics 3
program (DE-FOA-0000990). The authors' thank Prof. S. Kim, Mr P. Liu,
Prof. D. Pacifici, and Mr M. Strauss of Brown University for the
experimental assistance and fruitful discussions.
NR 37
TC 39
Z9 40
U1 23
U2 124
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 2015
VL 3
IS 17
BP 9249
EP 9256
DI 10.1039/c4ta07036d
PG 8
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CG6OF
UT WOS:000353420800042
ER
PT J
AU Manbeck, GF
Fujita, E
AF Manbeck, Gerald F.
Fujita, Etsuko
TI A review of iron and cobalt porphyrins, phthalocyanines and related
complexes for electrochemical and photochemical reduction of carbon
dioxide
SO JOURNAL OF PORPHYRINS AND PHTHALOCYANINES
LA English
DT Review
DE CO2 reduction; porphyrin; phthalocyanine; cobalt; iron
ID GAS-DIFFUSION ELECTRODES; ELECTROCATALYTIC CO2 REDUCTION; METAL
PHTHALOCYANINES; GLASSY-CARBON; MOLECULAR CATALYSTS; HOMOGENEOUS
CATALYSIS; GRAPHITE ELECTRODE; FUEL-CELLS; ELECTROREDUCTION;
TETRAPHENYLPORPHYRIN
AB This review summarizes research on the electrochemical and photochemical reduction of CO2 using a variety of iron and cobalt porphyrins, phthalocyanines and related complexes. Metalloporphyrins and metallophthalocyanines are visible light absorbers with extremely large extinction coefficients. However, yields of photochemically-generated active catalysts for CO2 reduction are typically low owing to the requirement of a second photoinduced electron. This requirement is not relevant to the case of electrochemical CO2 reduction. Recent progress on efficient and stable electrochemical systems includes the use of FeTPP catalysts that have prepositioned phenyl OH groups in their second coordination spheres. This has led to remarkable progress in carrying out coupled proton-electron transfer reactions for CO2 reduction. Such ground-breaking research has to be continued in order to produce renewable fuels in an economically feasible manner.
C1 [Manbeck, Gerald F.; Fujita, Etsuko] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Manbeck, GF (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM gmanbeck@bnl.gov; fujita@bnl.gov
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-98CH10886]
FX We thank Drs. James T. Muckerman and David C. Grills for careful reading
of this manuscript. The work at Brookhaven National Laboratory was
carried out under contract DE-AC02-98CH10886 with the U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences.
NR 84
TC 17
Z9 17
U1 50
U2 210
PU WORLD SCI PUBL CO INC
PI HACKENSACK
PA 27 WARREN ST, STE 401-402, HACKENSACK, NJ 07601 USA
SN 1088-4246
EI 1099-1409
J9 J PORPHYR PHTHALOCYA
JI J. Porphyr. Phthalocyanines
PD JAN-MAR
PY 2015
VL 19
IS 1-3
BP 45
EP 64
DI 10.1142/S1088424615300013
PG 20
WC Chemistry, Multidisciplinary
SC Chemistry
GA CF6CK
UT WOS:000352644100006
ER
PT J
AU Eroglu, D
Zavadil, KR
Gallagher, KG
AF Eroglu, Damla
Zavadil, Kevin R.
Gallagher, Kevin G.
TI Critical Link between Materials Chemistry and Cell-Level Design for High
Energy Density and Low Cost Lithium-Sulfur Transportation Battery
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID S BATTERIES; POLYSULFIDE SHUTTLE; CARBON NANOFIBERS; ELECTROLYTE;
PERFORMANCE; CAPACITY; CATHODE; SPECTROSCOPY; STABILITY; LIFE
AB A materials-to-system analysis for the lithium-sulfur (Li-S) electric vehicle battery is presented that identifies the key electrode and cell design considerations from reports of materials chemistry. The resulting systems-level energy density, specific energy and battery price as a function of these parameters is projected. Excess lithium metal amount at the anode and useable specific capacity, electrolyte volume fraction, sulfur to carbon ratio and reaction kinetics at the cathode are all shown to be critical for the high energy density and low cost requirements. Electrode loading is determined as a key parameter to relate the battery price for useable energy to the investigated design considerations. The presented analysis proposes that electrode loadings higher than 8 mAh/cm(2) (similar to 7 mg S/cm(2)) are necessary for Li-S systems to exhibit the high energy density and low cost required for transportation applications. Stabilizing the interface of lithium metal at the required current densities and areal capacities while simultaneously maintaining cell capacity with high sulfur loading in an electrolyte starved cathode are identified as the key barriers for ongoing research and development efforts to address. (C) The Author(s) 2015. All rights reserved.
C1 [Eroglu, Damla; Gallagher, Kevin G.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Zavadil, Kevin R.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
EM damlaeroglu@gmail.com
FU Joint Center for Energy Storage Research, an Energy Innovation Hub -
U.S. Department of Energy, Office of Science, Basic Energy Sciences;
U.S. Department of Energy Office of Science laboratory
[DE-AC02-06CH11357]
FX This work was supported as part of the Joint Center for Energy Storage
Research, an Energy Innovation Hub funded by the U.S. Department of
Energy, Office of Science, Basic Energy Sciences. 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.
NR 49
TC 22
Z9 22
U1 16
U2 53
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 2015
VL 162
IS 6
BP A982
EP A990
DI 10.1149/2.0611506jes
PG 9
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CG1BZ
UT WOS:000353009300028
ER
PT J
AU Higa, K
Srinivasan, V
AF Higa, Kenneth
Srinivasan, Venkat
TI Stress and Strain in Silicon Electrode Models
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID LITHIUM-ION BATTERIES; CARBON-COATED SI; NEGATIVE ELECTRODES; ANODE
MATERIAL; FRACTURE; INSERTION; LITHIATION; PARTICLES; NANOWIRES; BINDER
AB While the high capacity of silicon makes it an attractive negative electrode for Li-ion batteries, the associated large volume change results in fracture and capacity fade. Composite electrodes incorporating silicon have additional complexity, as active material is attached to surrounding material which must likewise experience significant volume change. In this paper, a finite-deformation model is used to explore, for the first time, mechanical interactions between a silicon particle undergoing lithium insertion, and attached binder material. Simulations employ an axisymmetric model system in which solutions vary in two spatial directions and shear stresses develop at interfaces between materials. The mechanical response of the amorphous active material is dependent on lithium concentration, and an equation of state incorporating reported volume expansion data is used. Simulations explore the influence of active material size and binder stiffness, and suggest delamination as an additional mode of material damage. Computed strain energies and von Mises equivalent stresses are in physically-relevant ranges, comparable to reported yield stresses and adhesion energies, and predicted trends are largely consistent with reported experimental results. It is hoped that insights from this work will support the design of more robust silicon composite electrodes. (C) The Author(s) 2015. 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.orylicenses/by/4.0/), which permits unrestricted reuse of the work in any medium, provided the original work is properly cited. All rights reserved.
C1 [Higa, Kenneth; Srinivasan, Venkat] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Higa, K (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM KHiga@lbl.gov
FU Energy Efficiency and Renewable Energy, Office of Vehicle Technologies
of the U.S. Department of Energy under the Batteries for Advanced
Transportation Technologies (BATT) Program [DE-AC02-05CH11231]
FX This work was supported by the Assistant Secretary for Energy Efficiency
and Renewable Energy, Office of Vehicle Technologies of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231 under the
Batteries for Advanced Transportation Technologies (BATT) Program.
NR 41
TC 11
Z9 11
U1 10
U2 50
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 2015
VL 162
IS 6
BP A1111
EP A1122
DI 10.1149/2.0091507jes
PG 12
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CG1BZ
UT WOS:000353009300044
ER
PT J
AU Martin, MA
Chen, CF
Mukherjee, PP
Pannala, S
Dietiker, JF
Turner, JA
Ranjan, D
AF Martin, Michael A.
Chen, Chien-Fan
Mukherjee, Partha P.
Pannala, Sreekanth
Dietiker, Jean-Francois
Turner, John A.
Ranjan, Devesh
TI Morphological Influence in Lithium-Ion Battery 3D Electrode
Architectures
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID FINITE-ELEMENT-ANALYSIS; RECHARGEABLE BATTERIES; FRACTAL ELECTRODES;
ENERGY-STORAGE; INSERTION CELL; MICROBATTERIES; MODEL; ELECTROCHEMISTRY;
FABRICATION; RELAXATION
AB The performance of lithium-ion batteries is limited by suboptimal energy density and power capability. A feasible approach is designing 3D electrode architectures where lithium ion transport in the electrolyte and active material can be optimized for improving the energy/power density. In this study, the influence of active material morphology and 3D electrode configurations is investigated with particular emphasis on solid-state transport and resulting implications on the performance. A morphology-detailed computational modeling is presented which simulates lithium transport in disparate 3D electrode configurations. The resulting lithium concentration in the 3D electrode constructs during discharging, relaxation, and charging process reveal a local sate of charge map. This is correlated with the electrode performance. This study demonstrates the role of active particle morphology and 3D architecture on the electrode relaxation behavior, which determines the resulting concentration gradient and performance. (C) 2015 The Electrochemical Society. All rights reserved.
C1 [Martin, Michael A.; Chen, Chien-Fan; Mukherjee, Partha P.; Ranjan, Devesh] Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA.
[Pannala, Sreekanth; Turner, John A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Dietiker, Jean-Francois] Natl Energy Technol Lab, Morgantown, WV 26507 USA.
[Dietiker, Jean-Francois] W Virginia Univ, Corp Res, Morgantown, WV 26507 USA.
RP Martin, MA (reprint author), Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA.
EM pmukherjee@tamu.edu; pannalas@ornl.gov; devesh.ranjan@me.gatech.edu
OI Ranjan, Devesh/0000-0002-1231-9313; Turner, John/0000-0003-2521-4091
FU A&M University faculty research initiation grant; ORNL LDRD program; Oak
Ridge National Laboratory
FX Financial support from Texas A&M University faculty research initiation
grant and ORNL LDRD program is gratefully acknowledged. PPM acknowledges
Oak Ridge National Laboratory for the summer research fellowship offered
to MAM during which part of the work was performed. PPM also
acknowledges Malcolm Stein IV for his help with manuscript editing.
NR 60
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U1 3
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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 2015
VL 162
IS 6
BP A991
EP A1002
DI 10.1149/2.0631506jes
PG 12
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CG1BZ
UT WOS:000353009300029
ER
PT J
AU Northrop, PWC
Pathak, M
Rife, D
De, S
Santhanagopalan, S
Subramanian, VR
AF Northrop, Paul W. C.
Pathak, Manan
Rife, Derek
De, Sumitava
Santhanagopalan, Shriram
Subramanian, Venkat R.
TI Efficient Simulation and Model Reformulation of Two-Dimensional
Electrochemical Thermal Behavior of Lithium-Ion Batteries
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID GENERAL ENERGY-BALANCE; HEAT-GENERATION; CAPACITY FADE; LITHIUM/POLYMER
BATTERY; MATHEMATICAL-MODEL; POLYMER BATTERIES; STRESS GENERATION;
MANGANESE OXIDE; INSERTION CELL; SYSTEMS
AB Lithium-ion batteries are an important technology to facilitate efficient energy storage and enable a shift from petroleum based energy to more environmentally benign sources. Such systems can be utilized most efficiently if good understanding of performance can be achieved for a range of operating conditions. Mathematical models can be useful to predict battery behavior to allow for optimization of design and control, An analytical solution is ideally preferred to solve the equations of a mathematical model, as it eliminates the error that arises when using numerical techniques and is usually computationally cheap. An analytical solution provides insight into the behavior of the system and also explicitly shows the effects of different parameters on the behavior. However, most engineering models, including the majority of battery models, cannot be solved analytically due to non-linearities in the equations and state dependent transport and kinetic parameters. The numerical method used to solve the system of equations describing a battery operation can have a significant impact on the computational cost of the simulation. In this paper, a model reformulation of the porous electrode pseudo three dimensional (P3D) which significantly reduces the computational cost of lithium ion battery simulation, while maintaining high accuracy, is discussed. This reformulation enables the use of the P3D model into applications that would otherwise be too computationally expensive to justify its use, such as online control, optimization, and parameter estimation. Furthermore, the P3D model has proven to be robust enough to allow for the inclusion of additional physical phenomena as understanding improves. In this paper, the reformulated model is used to allow for more complicated physical phenomena to be considered for study, including thermal effects. (C) The Author(s) 2015. Published by ECS. All rights reserved.
C1 [Northrop, Paul W. C.] CFD Res Corp, Biomed & Energy Technol, Huntsville, AL 35806 USA.
[Pathak, Manan; Subramanian, Venkat R.] Univ Washington, Seattle, WA 98105 USA.
[Rife, Derek; De, Sumitava] Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA.
[Santhanagopalan, Shriram] Natl Renewable Energy Lab, Transportat & Hydrogen Syst Ctr, Golden, CO 80401 USA.
[Subramanian, Venkat R.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Northrop, PWC (reprint author), CFD Res Corp, Biomed & Energy Technol, Huntsville, AL 35806 USA.
EM vsubram@uw.edu
RI DE, SUMITAVA/H-6608-2016
OI DE, SUMITAVA/0000-0002-2711-082X
NR 64
TC 3
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U1 7
U2 35
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 2015
VL 162
IS 6
BP A940
EP A951
DI 10.1149/2.0341506jes
PG 12
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CG1BZ
UT WOS:000353009300023
ER
PT J
AU Rinaldo, SG
Gallagher, KG
Long, BR
Croy, JR
Bettge, M
Abraham, DP
Bareno, J
Dees, DW
AF Rinaldo, Steven G.
Gallagher, Kevin G.
Long, Brandon R.
Croy, Jason R.
Bettge, Martin
Abraham, Daniel P.
Bareno, Javier
Dees, Dennis W.
TI Physical Theory of Voltage Fade in Lithium- and Manganese-Rich
Transition Metal Oxides
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID MONTE-CARLO SIMULATION; LATTICE-GAS MODEL; ELECTROCHEMICAL-CELLS;
ENERGY-DENSITY; 1ST PRINCIPLES; ION BATTERIES; CATHODE; INTERCALATION;
ELECTRODES; HYSTERESIS
AB Lithium- and manganese-rich (LMR) transition metal oxide cathodes are of interest for lithium-ion battery applications due to their increased energy density and decreased cost. However, the advantages in energy density and cost are offset, in part, due to the phenomena of voltage fade. Specifically, the voltage profiles (voltage as a function of capacity) of LMR cathodes transform from a high energy configuration to a lower energy configuration as they are repeatedly charged (Li removed) and discharged (Li inserted). We propose a physical model of voltage fade that accounts for the emergence of a low voltage Li phase due to the introduction of transition metal ion defects within a parent Li phase. The phenomenological model was re-cast in a general form and experimental LMR charge profiles were de-convoluted to extract the evolutionary behavior of various components of LMR capacitance profiles. Evolution of the voltage fade component was found to follow a universal growth curve with a maximal voltage fade capacity of approximate to 120% of the initial total capacity. (C) The Author(s) 2015. Published by ECS. All rights reserved.
C1 [Rinaldo, Steven G.; Gallagher, Kevin G.; Long, Brandon R.; Croy, Jason R.; Bettge, Martin; Abraham, Daniel P.; Bareno, Javier; Dees, Dennis W.] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA.
RP Rinaldo, SG (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA.
EM rinaldo@anl.gov
FU Vehicle Technologies Program, Hybrid and Electric Systems; Argonne, a
U.S. Department of Energy Office of Science Laboratory
[DE-AC02-06CH11357]
FX Support from the Vehicle Technologies Program, Hybrid and Electric
Systems, in particular David Howell, Peter Faguy, and Tien Duong at the
U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy, is gratefully acknowledged. 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. We would also like to thank Mahalingam Balasubramanian for
insightful discussions.
NR 34
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U1 2
U2 33
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 2015
VL 162
IS 6
BP A897
EP A904
DI 10.1149/2.0181506jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CG1BZ
UT WOS:000353009300017
ER
PT J
AU Urisanga, PC
Rife, D
De, S
Subramanian, VR
AF Urisanga, Pierre Celestin
Rife, Derek
De, Sumitava
Subramanian, Venkat R.
TI Efficient Conservative Reformulation Schemes for Lithium Intercalation
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID SOLID-PHASE DIFFUSION; APPROXIMATE SOLUTION METHODS; MODEL DEVELOPMENT;
POROUS-ELECTRODE; STATE DIFFUSION; INSERTION CELL; BATTERIES; DISCHARGE;
DYNAMICS; EQUATION
AB Porous electrode theory coupled with transport and reaction mechanisms is a widely used technique to model Li-ion batteries employing an appropriate discretization or approximation for solid phase diffusion with electrode particles. One of the major difficulties in simulating Li-ion battery models is the need to account for solid phase diffusion in a second radial dimension r, which increases the computation time/cost to a great extent. Various methods that reduce the computational cost have been introduced to treat this phenomenon, but most of them do not guarantee mass conservation. The aim of this paper is to introduce an inherently mass conserving yet computationally efficient method for solid phase diffusion based on Lobatto III A quadrature. This paper also presents coupling of the new solid phase reformulation scheme with a macro-homogeneous porous electrode theory based pseudo 20 model for Li-ion battery. (C) The Author(s) 2015. Published by ECS. All rights reserved.
C1 [Urisanga, Pierre Celestin] Washington Univ, Dept Elect & Syst Engn, St Louis, MO 63130 USA.
[Rife, Derek; De, Sumitava] Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA.
[Subramanian, Venkat R.] Univ Washington, Dept Chem Engn, Seattle, WA 98195 USA.
[Subramanian, Venkat R.] Pacific NW Natl Lab, Energy Proc & Mat Dept, Richland, WA 99354 USA.
RP Urisanga, PC (reprint author), Washington Univ, Dept Elect & Syst Engn, St Louis, MO 63130 USA.
EM vsubram@uw.edu
RI DE, SUMITAVA/H-6608-2016
OI DE, SUMITAVA/0000-0002-2711-082X
FU Washington University; United States Government, Advanced Research
Projects Agency - Energy (ARPA-E), U.S. Department of Energy
[DE-AR0000275]; McDonnell Academy Global Energy and Environment
Partnership (MAGEEP) at Washington University in St. Louis
FX The authors are thankful for the financial support by Washington
University's Chancellor's Graduate Fellowship Program and Danforth
Scholars Program, by the United States Government, Advanced Research
Projects Agency - Energy (ARPA-E), U.S. Department of Energy, under
award number DE-AR0000275, and by McDonnell Academy Global Energy and
Environment Partnership (MAGEEP) at Washington University in St. Louis.
NR 27
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U1 1
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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 2015
VL 162
IS 6
BP A852
EP A857
DI 10.1149/2.0061506jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CG1BZ
UT WOS:000353009300011
ER
PT J
AU Siegal, MP
Mowry, CD
Pfeifer, KB
Sava Gallis, DF
AF Siegal, Michael P.
Mowry, Curtis D.
Pfeifer, Kent B.
Sava Gallis, Dorina F.
TI Detecting Trihalomethanes Using Nanoporous-Carbon Coated
Surface-Acoustic-Wave Sensors
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID PURGE-AND-TRAP; SAMPLING-GAS CHROMATOGRAPHY; DRINKING-WATER; CHEMICAL
MICROSENSORS; ADSORPTION; DEVICES; FILMS; HYDROCARBONS; EXTRACTION
AB We study nanoporous-carbon (NPC) grown via pulsed laser deposition (PLD) as a sorbent coating on 96.5-MHz surface-acoustic-wave (SAW) devices to detect trihalomethanes (THMs), regulated by products from the chemical treatment of drinking water. Using both insertion-loss and isothermal-response measurements from known quantities of chloroform, the highest vapor pressure THM, we optimize the NPC mass-density at 1.05 +/- 0.08 g/cm(3) by controlling the background argon pressure during PLD. Precise THM quantities in a chlorobenzene solvent are directly injected into a separation column and detected as the phase-angle shift of the SAW device output compared to the drive signal. Using optimized NPC-coated SAWs, we study the chloroform response as a function of operating temperatures ranging from 10-50 degrees C. Finally, we demonstrate individual responses from complex mixtures of all four THMs, with masses ranging from 10-2000 ng, after gas chromatography separation. Estimates for each THM detection limit using a simple peak-height response evaluation are 4.4 ng for chloroform and 1 ng for bromoform; using an integrated-peak area response analysis improves the detection limits to 0.73 ng for chloroform and 0.003 ng bromoform. (C) The Author(s) 2015. 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/4.00, 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 [Siegal, Michael P.; Mowry, Curtis D.; Pfeifer, Kent B.; Sava Gallis, Dorina F.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Siegal, MP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM mpsiega@sandia.gov
RI Sava Gallis, Dorina/D-2827-2015
FU Laboratory Directed Research and Development program at Sandia National
Laboratories; U.S. Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]
FX The authors thank Don Overmyer for growing the NPC films on SAW devices,
Jonathan Rivera for growing the NPC films for the mass density
measurements, Lyle Brunke for growing the films for BET
characterization, Art Rumpf for insertion-loss characterization, Stephen
Howell for data acquisition and Labview software, and Richard
Kottenstette and Alex Robinson for analyte measurements. This work is
supported in part by the Laboratory Directed Research and Development
program at Sandia National Laboratories. Sandia National Laboratories is
a multiprogram laboratory managed and operated by Sandia Corporation, a
wholly owned subsidiary of Lockheed Martin Company, for the U.S.
Department of Energy's National Nuclear Security Administration under
Contract DE-AC04-94AL85000.
NR 44
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U1 3
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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 2015
VL 162
IS 6
BP B114
EP B120
DI 10.1149/2.0381506jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CG1BZ
UT WOS:000353009300046
ER
PT J
AU Palanivelu, KM
Prabhakaran, V
Romani, VK
Ramanujam, K
AF Palanivelu, K. M.
Prabhakaran, Venkateshkumar
Romani, Vijay K.
Ramanujam, Kothandaraman
TI Controlling the Nitrogen Content of Metal-Nitrogen-Carbon Based
Non-Precious-Metal Electrocatalysts via Selenium Addition
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID OXYGEN REDUCTION REACTION; PEM FUEL-CELLS; HETEROATOM-DOPED CARBON;
FE-BASED CATALYSTS; FE/N/C CATALYSTS; ACTIVE-SITES; IRON; ORR; MEDIA;
SPECTROSCOPY
AB Non-precious metal electrocatalysts based on pyrolysed metal-nitrogen-carbon (MNC) are viewed as an inexpensive replacement for platinum-based electrocatalysts for the oxygen reduction reaction (ORR) in fuel cells. One of the drawbacks of all the reported procedures to synthesize MNC electrocatalysts is the inability to control the nitrogen content. Since the type of nitrogen present (pyridinic, pyrrolic, quaternary/graphitic) and their proportions both play a seminal role in deciding the ORR activity of the electrocatalyst. it is important to carefully study the effect of nitrogen content on electrocatalyst properties. In this study, selenium was used as a ligand to replace the nitrogen coordinated to the iron atom in the electrocatalyst, thereby imparting control on the nitrogen content. Upon introducing 14 at% of selenium, the N content of the catalyst dropped 10 3.7 wt% and the ORR activity reached a maximum of 7.2 mA cm(-2) at 0.8 V vs. RHE. We demonstrated the need for iron to complete the active site: upon complexing the iron site with bipyridine, ethylene diammine and oxalic acid in IN H2SO4, the overpotential toward the ORR increased by similar to 60 mV, similar to 140 mV and similar to 140 mV respectively at 2 mA cm(-2). (C) 2015 The Electrochemical Society. All rights reserved.
C1 [Palanivelu, K. M.; Ramanujam, Kothandaraman] Indian Inst Technol, Dept Chem, Madras 600036, Tamil Nadu, India.
[Prabhakaran, Venkateshkumar; Romani, Vijay K.] IIT, Dept Chem & Biol Engn, Chicago, IL 60616 USA.
[Prabhakaran, Venkateshkumar] Pacific NW Natl Lab, Richland, WA 99354 USA.
RP Palanivelu, KM (reprint author), Indian Inst Technol, Dept Chem, Madras 600036, Tamil Nadu, India.
EM rkraman@iitm.ac.in
RI Prabhakaran, Venkateshkumar/C-5023-2009; Ramani, Vijay/A-5164-2010
OI Prabhakaran, Venkateshkumar/0000-0001-6692-6488; Ramani,
Vijay/0000-0002-6132-8144
FU ISRO-IITM space cell [CHY/11-12/351/ISRO/KOTH]
FX We thank ISRO-IITM space cell for funding this project
(CHY/11-12/351/ISRO/KOTH), thank Prof. V Munichandraiah from IISc
Bangalore for TEM work, IIT Madras for infrastructure and facilities and
Prof. Vijay Ramani and his student from IIT Chicago, USA for XPS
studies. We thank Prof. Scott C. Barton from Michigan State University
for supplying Ketjenblack 600JD carbon in kind.
NR 43
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U2 32
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 2015
VL 162
IS 6
BP F475
EP F482
DI 10.1149/2.0101506jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CG1BZ
UT WOS:000353009300071
ER
PT J
AU Yim, SD
Chung, HT
Chlistunoff, J
Kim, DS
Fujimoto, C
Yang, TH
Kim, YS
AF Yim, Sung-Dae
Chung, Hoon T.
Chlistunoff, Jerzy
Kim, Dae-Sik
Fujimoto, Cy
Yang, Tae-Hyun
Kim, Yu Seung
TI A Microelectrode Study of Interfacial Reactions at the Platinum-Alkaline
Polymer Interface
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID MEMBRANE FUEL-CELLS; OXYGEN REDUCTION KINETICS; ANION-EXCHANGE
MEMBRANES; DIELECTRIC-PROPERTIES; HYDRATION STRUCTURE; NAFION INTERFACE;
ELECTROLYTE; IONOMER; PERFORMANCE; STABILITY
AB Hydrogen oxidation (HOR) and oxygen reduction (ORR) reactions at the platinum/alkaline ionomer interface were investigated using two different alkaline polymer electrolytes, i.e., benzyl-trimethyl ammonium tethered poly(phenylene) (ATM-PP) and phenyl-pentamethyl guanidinium tethered perfluorinated polymer (M-Nafion-FA-TMG). Substantial inhibition of HOR was taking place at the platinum-ATM-PP interface due to the possible cationic group adsorption of ATM-PP, whereas the reaction was virtually unaffected at the platinum-M-Nafion-FA-TMG interface after high anodic potential preconditioning. Moreover, the apparent ORR activity of platinum coated with M-Nafion-FA-TMG was found higher than that in 0.1 M tetra methyl guanidinium solution. In addition, the oxygen permeability of M-Nafion-FA-TMG was found to be similar to 2.5 times higher than that of ATM-PP. The above properties of the perfluorinated polymer make it a very promising ionomeric binder for the use in both anode and cathode of alkaline membrane fuel cells. (C) The Author(s) 2015. 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 [Yim, Sung-Dae; Chung, Hoon T.; Chlistunoff, Jerzy; Kim, Dae-Sik; Kim, Yu Seung] Los Alamos Natl Lab, Mat Synth & Integrated Devices Grp, Los Alamos, NM 87545 USA.
[Yim, Sung-Dae; Yang, Tae-Hyun] Korea Inst Energy Res, Fuel Cell Lab, Taejon 305343, South Korea.
[Fujimoto, Cy] Sandia Natl Labs, Organ Mat Sci, Albuquerque, NM 87185 USA.
RP Yim, SD (reprint author), Los Alamos Natl Lab, Mat Synth & Integrated Devices Grp, POB 1663, Los Alamos, NM 87545 USA.
EM yskim@lanl.gov
OI Chung, Hoon/0000-0002-5367-9294
FU US Department of Energy by Los Alamos National Security LLC
[DE-AC52-06NA25396]; US DOE Fuel Cell Technologies Program; Korea
Institute of Energy Research, South Korea [B5-2415-01]; Korea Institute
of Energy Technology Evaluation and Planning (KETEP); Ministry of Trade,
Industry & Energy, South Korea [20138520030780]
FX Los Alamos National Laboratory is operated for the US Department of
Energy by Los Alamos National Security LLC under Contract
DE-AC52-06NA25396. We thank US DOE Fuel Cell Technologies Program,
Technology Development Manager Dr. Nancy Garland, for financial support.
S.D.Y. acknowledges financial support from Korea Institute of Energy
Research, South Korea (B5-2415-01), and from 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, South Korea
(20138520030780).
NR 44
TC 4
Z9 4
U1 8
U2 38
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 2015
VL 162
IS 6
BP F499
EP F506
DI 10.1149/2.0151506jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CG1BZ
UT WOS:000353009300074
ER
PT S
AU Fereidouni, F
Datta-Mitra, A
Demos, S
Levenson, R
AF Fereidouni, Farzad
Datta-Mitra, Ananya
Demos, Stavros
Levenson, Richard
BE Alfano, RR
Demos, SG
TI Microscopy with UV Surface Excitation (MUSE) for slide-free histology
and pathology imaging
SO OPTICAL BIOPSY XIII: TOWARD REAL-TIME SPECTROSCOPIC IMAGING AND
DIAGNOSIS
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Optical Biopsy XIII: Toward Real-Time Spectroscopic
Imaging and Diagnosis
CY FEB 10-11, 2015
CL San Francisco, CA
SP SPIE, Bayspec Inc, Coherent Inc, Corning Inc, Energy Res Co, Fianium Ltd, Hamamatsu Corp, Intuit Surg Corp, LEUKOS, NKT Photon A S, PerkinElmer Inc, ThorLabs Inc
DE Fluorescence imaging; microscopy; histology
AB A novel microscopy method that takes advantage of shallow photon penetration using ultraviolet-range excitation and exogenous fluorescent stains is described. This approach exploits the intrinsic optical sectioning function when exciting tissue fluorescence from superficial layers to generate images similar to those obtainable from a physically thin-sectioned tissue specimen. UV light in the spectral range from roughly 240-275 nm penetrates only a few microns into the surface of biological specimens, thus eliminating out-of-focus signals that would otherwise arise from deeper tissue layers. Furthermore, UV excitation can be used to simultaneously excite fluorophores emitting across a wide spectral range. The sectioning property of the UV light (as opposed to more conventional illumination in the visible range) removes the need for physical or more elaborate optical sectioning approaches, such as confocal, nonlinear or coherent tomographic methods, to generate acceptable axial resolution. Using a tunable laser, we investigated the effect of excitation wavelength in the 230-350 nm spectral range on excitation depth. The results reveal an optimal wavelength range and suggest that this method can be a fast and reliable approach for rapid imaging of tissue specimens. Some of this range is addressable by currently available and relatively inexpensive LED light sources. MUSE may prove to be a good alternative to conventional, time-consuming, histopathology procedures.
C1 [Fereidouni, Farzad; Datta-Mitra, Ananya; Levenson, Richard] Univ Calif Davis, Pathol & Lab Med, Sacramento, CA 95817 USA.
[Demos, Stavros] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Fereidouni, F (reprint author), Univ Calif Davis, Pathol & Lab Med, Sacramento, CA 95817 USA.
EM levenson@ucdavis.edu
NR 8
TC 1
Z9 1
U1 0
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-408-0
J9 PROC SPIE
PY 2015
VL 9318
AR 93180F
DI 10.1117/12.2080408
PG 6
WC Engineering, Biomedical; Optics; Radiology, Nuclear Medicine & Medical
Imaging; Spectroscopy
SC Engineering; Optics; Radiology, Nuclear Medicine & Medical Imaging;
Spectroscopy
GA BC5QC
UT WOS:000353479900011
ER
PT J
AU Kirshenbaum, KC
Bock, DC
Brady, AB
Marschilok, AC
Takeuchi, KJ
Takeuchi, ES
AF Kirshenbaum, Kevin C.
Bock, David C.
Brady, Alexander B.
Marschilok, Amy C.
Takeuchi, Kenneth J.
Takeuchi, Esther S.
TI Electrochemical reduction of an Ag2VO2PO4 particle: dramatic increase of
local electronic conductivity
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID VANADIUM PHOSPHORUS OXIDE; X-RAY-DIFFRACTION; MECHANISTIC INSIGHTS;
BATTERY APPLICATIONS; CATHODE MATERIAL; DISCHARGE; PERFORMANCE;
DISSOLUTION; KINETICS; DEVICES
AB Previously, we reported that electrodes containing silver vanadium phosphate (Ag2VO2PO4) powder exhibit a 15000 fold increase in conductivity after discharge, concurrent with the formation of silver metal. In this study, in order to disentangle the complex nature of electrodes composed of electroactive powders, an electrochemical reduction of individual particles of Ag2VO2PO4 was conducted, to more directly probe the intrinsic materials properties of Ag2VO2PO4. Specifically, individual particle conductivity data from a nanoprobe system combined with SEM and optical imaging results revealed that the depth of discharge within an Ag2VO2PO4 particle is closely linked to the conductivity increase. Notably, the formation of silver metal may affect both inter-and intraparticle conductivity of the Ag2VO2PO4 material.
C1 [Kirshenbaum, Kevin C.; Takeuchi, Esther S.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Bock, David C.; Marschilok, Amy C.; Takeuchi, Kenneth J.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
[Brady, Alexander B.; Marschilok, Amy C.; Takeuchi, Kenneth J.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA.
RP Marschilok, AC (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
EM amy.marschilok@stonybrook.edu; kenneth.takeuchi.1@stonybrook.edu;
esther.takeuchi@stonybrook.edu
FU Center for Mesoscale Transport Properties; 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 [DE-AC02-98CH10886]; Brookhaven National Laboratory;
Gertrude and Maurice Goldhaber Distinguished Fellowship Program
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. The use of the Center for Functional Nanomaterials
was supported by the U.S. Department of Energy, Office of Basic Energy
Science under contract number DE-AC02-98CH10886. K. Kirshenbaum
acknowledges Postdoctoral support from Brookhaven National Laboratory
and the Gertrude and Maurice Goldhaber Distinguished Fellowship Program.
The authors thank Qing Zhang for assistance with scanning electron
microscopy.
NR 33
TC 4
Z9 4
U1 3
U2 30
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 2015
VL 17
IS 17
BP 11204
EP 11210
DI 10.1039/c5cp00961h
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA CG5NN
UT WOS:000353338800011
PM 25827353
ER
PT J
AU DeCaluwe, SC
Dhar, BM
Huang, L
He, Y
Yang, K
Owejan, JP
Zhao, Y
Talin, AA
Dura, JA
Wang, H
AF DeCaluwe, S. C.
Dhar, B. M.
Huang, L.
He, Y.
Yang, K.
Owejan, J. P.
Zhao, Y.
Talin, A. A.
Dura, J. A.
Wang, H.
TI Pore collapse and regrowth in silicon electrodes for rechargeable
batteries
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID LITHIUM-ION BATTERIES; SOLID-STATE AMORPHIZATION; ATOMIC LAYER
DEPOSITION; IN-SITU OBSERVATION; AMORPHOUS-SILICON; NEUTRON
REFLECTOMETRY; HIGH-CAPACITY; ELECTROCHEMICAL PERFORMANCE;
STRUCTURAL-CHANGES; VOLUME EXPANSION
AB Structure and composition of an 11 nm thick amorphous silicon (a-Si) thin film anode, capped with 4 nm of alumina are measured, in operando, by neutron reflectivity (NR) and electrochemical impedance spectroscopy in a lithium half-cell. NR data are analyzed to quantify the a-Si thickness and composition at various states of charge over six cycles. The a-Si anode expands and contracts upon lithiation and delithiation, respectively, while maintaining its integrity and low interfacial roughness (<= 1.6 nm) throughout the cycling. The apparently non-linear expansion of the a-Si layer volume versus lithium content agrees with previous thin-film a-Si anode studies. However, a proposed pore collapse and regrowth (PCRG) mechanism establishes that the solid domains in the porous LixSi film expand linearly with Li content at 8.48 cm(3) mol(-1) Li, similar to crystalline Si. In the PCRG model, porosity is first consumed by expansion of solid domains upon lithiation, after which the film as a whole expands. Porosity is reestablished at 5-28% upon delithiation. Data show that the alumina protective layer on the a-Si film functions as an effective artificial solid electrolyte interphase (SEI), maintaining its structural integrity, low interfacial roughness, and relatively small transport resistance. No additional spontaneously-formed SEI is observed in this study.
C1 [DeCaluwe, S. C.] Colorado Sch Mines, Dept Mech Engn, Golden, CO 80401 USA.
[DeCaluwe, S. C.; Dura, J. A.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA.
[DeCaluwe, S. C.; Wang, H.] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA.
[Dhar, B. M.; Huang, L.; He, Y.; Yang, K.; Wang, H.] SUNY Binghamton, Inst Mat Res, Binghamton, NY USA.
[Dhar, B. M.; Huang, L.; He, Y.; Yang, K.; Wang, H.] SUNY Binghamton, Dept Mech Engn, Binghamton, NY USA.
[Dhar, B. M.; Wang, H.] NIST, Mat Measurement Lab, Gaithersburg, MD 20899 USA.
[He, Y.; Zhao, Y.] Univ Georgia, Dept Phys & Astron, Athens, GA 30602 USA.
[Owejan, J. P.] SUNY Alfred, Dept Mech & Elect Engn Technol, Alfred, NY 14802 USA.
[Talin, A. A.] NIST, Ctr Nanoscale Sci & Technol, Gaithersburg, MD 20899 USA.
[Talin, A. A.] Sandia Natl Labs, Livermore, CA USA.
RP Dura, JA (reprint author), NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA.
EM jdura@nist.gov; wangh@umd.edu
RI Dura, Joseph/B-8452-2008; Zhao, Yiping/A-4968-2008
OI Dura, Joseph/0000-0001-6877-959X;
FU NIST; General Motors; National Research Council; US Army Research
Laboratory [W911NF-10-2-0107]; San Corporation, a Lockheed Martin
Company, for the U.S. DOE National Nuclear Security Administration
[DE-AC04-94AL85000]; U.S. Department of Energy, Office of Science, and
Office of Basic Energy Sciences [DESC0001160]
FX HW acknowledges NIST and General Motors for their generous financial
support. SCD thanks the National Research Council for funding via the
Research Associates Program. YPH and YPZ were supported by US Army
Research Laboratory with the contract number of W911NF-10-2-0107. Sandia
is a multi-program laboratory operated by San Corporation, a Lockheed
Martin Company, for the U.S. DOE National Nuclear Security
Administration under Contract DE-AC04-94AL85000. AAT acknowledges
partial support for data analysis and writing of the manuscript by
Science of Precision Multifunctional Nanostructures for Electrical
Energy Storage (NEES), an Energy Frontier Research Center funded by the
U.S. Department of Energy, Office of Science, and Office of Basic Energy
Sciences under DESC0001160.
NR 62
TC 4
Z9 4
U1 8
U2 66
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 2015
VL 17
IS 17
BP 11301
EP 11312
DI 10.1039/c4cp06017b
PG 12
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA CG5NN
UT WOS:000353338800023
PM 25839065
ER
PT J
AU Perticaroli, S
Russo, D
Paolantoni, M
Gonzalez, MA
Sassi, P
Nickels, JD
Ehlers, G
Comez, L
Pellegrini, E
Fioretto, D
Morresi, A
AF Perticaroli, S.
Russo, D.
Paolantoni, M.
Gonzalez, M. A.
Sassi, P.
Nickels, J. D.
Ehlers, G.
Comez, L.
Pellegrini, E.
Fioretto, D.
Morresi, A.
TI Painting biological low-frequency vibrational modes from small peptides
to proteins
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID INELASTIC NEUTRON-SCATTERING; DEPOLARIZED LIGHT-SCATTERING; METHYL-GROUP
DYNAMICS; WATER HYDROGEN-BOND; MOLECULAR-CRYSTALS; GLOBULAR-PROTEINS;
HYDRATION WATER; BOSON PEAK; MONOSUBSTITUTED AMIDES; INTERNAL-ROTATION
AB Protein low-frequency vibrational modes are an important portion of a proteins' dynamical repertoire. Yet, it is notoriously difficult to isolate specific vibrational features in the spectra of proteins. Given an appropriately chosen model peptide, and using different experimental conditions, we can simplify the system and gain useful insights into the protein vibrational properties. Combining neutron scattering, depolarized light scattering, and molecular dynamics simulations, we analyse the low frequency vibrations of biological molecules, comparing the results from a small globular protein, lysozyme, and an amphiphilic peptide, NALMA, both in solution and in powder states. Lysozyme and NALMA present similar spectral features in the frequency range between 1 and 10 THz. With the aid of MD simulations, we assign the spectral features to methyl groups' librations (1-5 THz) and hindered torsions (5-10 THz) in NALMA. Our data also show that, while proteins display boson peak vibrations in both powder and solution forms, NALMA exhibits boson peak vibrations in powder form only. This provides insight into the nature of this feature, suggesting a connection of BP collective motions to a characteristic length scale of heterogeneities present in the system. These results provide context for the use of model peptide systems to study protein dynamics; demonstrating both their utility, and the great care that has to be used in extrapolating results observed in powder to solutions.
C1 [Perticaroli, S.; Nickels, J. D.] Oak Ridge Natl Lab, Joint Inst Neutron Sci, Oak Ridge, TN 37831 USA.
[Perticaroli, S.] Oak Ridge Natl Lab, Div Chem & Mat Sci, Oak Ridge, TN 37831 USA.
[Perticaroli, S.; Nickels, J. D.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Russo, D.] Inst Max Von Laue Paul Langevin, CNR IOM, Grenoble, France.
[Russo, D.] Univ Lyon 1, Inst Lumiere Mat, F-69622 Villeurbanne, France.
[Paolantoni, M.; Sassi, P.; Morresi, A.] Univ Perugia, Dipartimento Chim Biol & Biotecnol, I-06123 Perugia, Italy.
[Gonzalez, M. A.; Pellegrini, E.] Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France.
[Ehlers, G.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA.
[Comez, L.] Univ Perugia, Dipartimento Fis & Geol, IOM CNR, I-06123 Perugia, Italy.
[Comez, L.; Fioretto, D.] Univ Perugia, Dipartimento Fis & Geol, I-06123 Perugia, Italy.
[Fioretto, D.] Univ Perugia, Ctr Eccellenza Mat Innovat Nanostrutturati, I-06123 Perugia, Italy.
RP Perticaroli, S (reprint author), Oak Ridge Natl Lab, Joint Inst Neutron Sci, Oak Ridge, TN 37831 USA.
EM spertica@utk.edu; russo@ill.fr
RI Sassi, Paola/F-1141-2014; Morresi, Assunta/M-7359-2014; Instrument,
CNCS/B-4599-2012; Paolantoni, Marco /G-1646-2014; Ehlers,
Georg/B-5412-2008; Nickels, Jonathan/I-1913-2012; Gonzalez,
Miguel/R-8330-2016
OI Sassi, Paola/0000-0002-4920-2784; Morresi, Assunta/0000-0002-0481-6424;
Paolantoni, Marco /0000-0002-6266-3497; Ehlers,
Georg/0000-0003-3513-508X; Nickels, Jonathan/0000-0001-8351-7846;
Gonzalez, Miguel/0000-0002-3478-0215
FU MIUR-PRIN; Scientific User Facilities Division, Office of Basic Energy
Sciences, U. S. Department of Energy
FX S.P. acknowledges the Computing for Science (CS) group at Institut
Laue-Langevin (Grenoble, France); M.P. acknowledges support from
MIUR-PRIN 2010-2011. Research at the Spallation Neutron Source, Oak
Ridge National Laboratory, was sponsored by the Scientific User
Facilities Division, Office of Basic Energy Sciences, U. S. Department
of Energy.
NR 63
TC 5
Z9 5
U1 5
U2 34
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 2015
VL 17
IS 17
BP 11423
EP 11431
DI 10.1039/c4cp05388e
PG 9
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA CG5NN
UT WOS:000353338800036
PM 25853990
ER
PT J
AU Pham, HH
Wang, LW
AF Pham, Hieu H.
Wang, Lin-Wang
TI Electronic structures and current conductivities of B, C, N and F
defects in amorphous titanium dioxide
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID PHOTOCATALYTIC ACTIVITY; DOPED TIO2; ANATASE; NANOMATERIALS;
IRRADIATION; SIMULATION; OXIDATION; COATINGS; POWDERS; ORIGIN
AB Although titanium dioxide (TiO2) has been extensively studied and widely used in energy and environmental areas, the amorphous form and its related defect properties are poorly understood. Recent studies, however, have emphasized the crucial role of amorphousness in producing competitively good performances in photochemical applications. In this work we have investigated for the first time the effects of various dopants (B, C, N and F) on charge carrier transport in amorphous titanium dioxide (a-TiO2), given that doping is a common technique used to tune the electronic properties of semiconductors, and that the existence of these impurities could also be unintentionally introduced during the synthesis process. The a-TiO2 model was obtained using a classical molecular dynamics method, followed by density-functional theory calculations (DFT + U, with Hubbard correction term U) on electronic structures and defect states. The formation of these impurity defects in a-TiO2 was found to be energetically more favorable by several eV than their crystal counterparts (in rutile). The contributions of these defect states to the charge transfer processes were examined by means of Marcus theory.
C1 [Wang, Lin-Wang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Wang, LW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
EM lwwang@lbl.gov
FU Office of Science of the U.S. Department of Energy [DE-SC0004993]
FX This material is based on the work performed by the Joint Center for
Artificial Photosynthesis, a DOE Energy Innovation Hub, supported
through the Office of Science of the U.S. Department of Energy under
Award number DE-SC0004993. We used the resource of the National Energy
Research Scientific Computing center (NERSC) located in the Lawrence
Berkeley National Laboratory.
NR 51
TC 5
Z9 5
U1 4
U2 25
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 2015
VL 17
IS 17
BP 11908
EP 11913
DI 10.1039/c5cp00890e
PG 6
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA CG5NN
UT WOS:000353338800085
PM 25872146
ER
PT J
AU Fu, SF
Yang, GH
Zhou, YZ
Pan, HB
Wai, CM
Du, D
Lin, YH
AF Fu, Shaofang
Yang, Guohai
Zhou, Yazhou
Pan, Horng-Bin
Wai, Chien M.
Du, Dan
Lin, Yuehe
TI Ultrasonic enhanced synthesis of multi-walled carbon nanotube supported
Pt-Co bimetallic nanoparticles as catalysts for the oxygen reduction
reaction
SO RSC ADVANCES
LA English
DT Article
ID MEMBRANE FUEL-CELL; ALLOY CATALYSTS; ELECTROCATALYSTS; PERFORMANCE; NI;
FE; HYDROGENOLYSIS; STABILITY; CHEMICALS; LIGNIN
AB Carbon material supported bi-or tri-metallic nanoparticles were usually used to replace noble metals, such as platinum, for improving catalytic performance and reducing the cost. In this paper, a carboxylate-functionalized multi-walled carbon nanotube supported bimetallic platinum-cobalt nanoparticles catalyst was synthesized using a simple one-step ultrasonic method. Electrochemical experiments showed that this catalyst exhibited excellent electrocatalytic activity in acid solution for the oxygen reduction reaction. In detail, the onset potential and half-wave potential of this catalyst positively shifted compared with the commercial platinum/carbon catalyst. The as-prepared catalyst also presented a high mass activity. Additionally, it showed a four-electron reduction pathway for the oxygen reduction reaction and exhibited better stability (about 82.8% current density was maintained) than platinum/carbon during the current durability test.
C1 [Fu, Shaofang; Yang, Guohai; Zhou, Yazhou; Du, Dan; Lin, Yuehe] Washington State Univ, Dept Mech & Mat Engn, Pullman, WA 99163 USA.
[Pan, Horng-Bin; Wai, Chien M.] Univ Idaho, Dept Chem, Moscow, ID 83844 USA.
[Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Lin, YH (reprint author), Washington State Univ, Dept Mech & Mat Engn, Pullman, WA 99163 USA.
EM yuehe.lin@wsu.edu
RI Lin, Yuehe/D-9762-2011; FU, SHAOFANG/D-2328-2016
OI Lin, Yuehe/0000-0003-3791-7587; FU, SHAOFANG/0000-0002-7871-6573
FU Washington State University, USA; DOE by Battelle [DE-AC05-76RL01830]
FX This work was supported by a startup fund of Washington State
University, USA. We thank Franceschi Microscopy & Image Center at
Washington State University for TEM measurements. Pacific Northwest
National Laboratory is a multi-program national laboratory operated for
DOE by Battelle under Contract DE-AC05-76RL01830.
NR 37
TC 8
Z9 8
U1 2
U2 29
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 2015
VL 5
IS 41
BP 32685
EP 32689
DI 10.1039/c5ra02549d
PG 5
WC Chemistry, Multidisciplinary
SC Chemistry
GA CG3GH
UT WOS:000353166300074
ER
PT J
AU Xi, JX
Kim, J
Si, XHA
Corley, RA
Kabilan, S
Wang, SY
AF Xi, Jinxiang
Kim, JongWon
Si, Xiuhua A.
Corley, Richard A.
Kabilan, Senthil
Wang, Shengyu
TI CFD Modeling and Image Analysis of Exhaled Aerosols due to a Growing
Bronchial Tumor: towards Non-Invasive Diagnosis and Treatment of
Respiratory Obstructive Diseases
SO THERANOSTICS
LA English
DT Article
DE Aerosol breath test; computer aided diagnosis; theranostics; aerosol
fingerprint; fractal dimension; obstructive respiratory diseases
ID UPPER TRACHEOBRONCHIAL AIRWAYS; BREATH CONDENSATE; PARTICLE DEPOSITION;
OXIDATIVE STRESS; BOLUS DISPERSION; FRACTAL GEOMETRY; LUNG PATHOLOGY;
CANCER; NANOPARTICLE; MORPHOMETRY
AB Diagnosis and prognosis of tumorigenesis are generally performed with CT, PET, or biopsy. Such methods are accurate, but have the limitations of high cost and posing additional health risks to patients. In this study, we introduce an alternative computer aided diagnostic tool that can locate malignant sites caused by tumorigenesis in a non-invasive and low-cost way. Our hypothesis is that exhaled aerosol distribution is unique to lung structure and is sensitive to airway structure variations. With appropriate approaches, it is possible to locate the disease site, determine the disease severity, and subsequently formulate a targeted drug delivery plan to treat the disease. This study numerically evaluated the feasibility of the proposed breath test in an image-based lung model with varying pathological stages of a bronchial squamous tumor. Large eddy simulations and a Lagrangian tracking approach were used to model respiratory airflows and aerosol dynamics. Respirations of tracer aerosols of 1 mu m at a flow rate of 20 L/min were simulated, with the distributions of exhaled aerosols recorded on a filter at the mouth exit. Aerosol patterns were quantified with multiple analytical techniques such as concentration disparity, spatial scanning and fractal analysis. We demonstrated that a growing bronchial tumor induced notable variations in both the airflow and exhaled aerosol distribution. These variations became more apparent with increasing tumor severity. The exhaled aerosols exhibited distinctive pattern parameters such as spatial probability, fractal dimension, and multifractal spectrum. Results of this study show that morphometric measures of the exhaled aerosol pattern can be used to detect and monitor the pathological states of respiratory diseases in the upper airway. The proposed breath test also has the potential to locate the site of the disease, which is critical in developing a personalized, site-specific drug delivery protocol.
C1 [Xi, Jinxiang; Kim, JongWon] Cent Michigan Univ, Sch Engn & Technol, Mt Pleasant, MI 48858 USA.
[Si, Xiuhua A.] Calif Baptist Univ, Dept Mech Engn, Riverside, CA 92504 USA.
[Corley, Richard A.; Kabilan, Senthil] Pacific NW Natl Lab, Syst Toxicol & Exposure Sci, Richland, WA 99352 USA.
[Wang, Shengyu] Xian Med Univ, Affiliated Hosp 1, Dept Pulm & Crit Care Med, Xian 710077, Shaanxi, Peoples R China.
[Wang, Shengyu] Mayo Clin, Dept Anesthesiol, Rochester, MN 55905 USA.
RP Xi, JX (reprint author), Cent Michigan Univ, Sch Engn & Technol, 1200 South Franklin St, Mt Pleasant, MI 48858 USA.
EM xi1j@cmich.edu
NR 51
TC 3
Z9 3
U1 3
U2 12
PU IVYSPRING INT PUBL
PI LAKE HAVEN
PA PO BOX 4546, LAKE HAVEN, NSW 2263, AUSTRALIA
SN 1838-7640
J9 THERANOSTICS
JI Theranostics
PY 2015
VL 5
IS 5
BP 443
EP 455
DI 10.7150/thno.11107
PG 13
WC Medicine, Research & Experimental
SC Research & Experimental Medicine
GA CG1VQ
UT WOS:000353063800001
PM 25767612
ER
PT J
AU Drewry, JL
Choi, CY
An, L
Gharagozloo, PE
AF Drewry, J. L.
Choi, C. Y.
An, L.
Gharagozloo, P. E.
TI A COMPUTATIONAL FLUID DYNAMICS MODEL OF ALGAL GROWTH: DEVELOPMENT AND
VALIDATION
SO TRANSACTIONS OF THE ASABE
LA English
DT Article
DE Algae; Biofuels; Computational fluid dynamics (CFD)
ID RACEWAY; PHOTOSYNTHESIS; MICROALGAE; RADIATION; PH
AB Biofuels derived from algae are becoming an increasingly viable alternative to petroleum-based fuels; however, research and development in the field must continue to advance the technology before biofuels can be produced in an economical and environmentally friendly manner. Unlike with photobioreactors, there is no generally accepted model for evaluating the growth of algae in open raceways because algal growth involves a large number of variables. For this reason, computational fluid dynamics (CFD) could prove to be a valuable and effective tool for the design, optimization, and operation of large-scale raceway ponds under local environmental conditions. CFD can elucidate and quantify the complex sets of variables that govern heat, mass, and flow patterns within the pond and provide spatiotemporal data concerning algal concentration and other water quality variables, such as light and temperature. The corresponding outcomes will enable designers to create more efficient ponds and more accurately predict growth under a variety of scenarios, as well as optimize the pond's operation in order to produce the maximum amount of biomass possible within a given locality. The present study focuses on developing user-defined functions capable of capturing key parameters, verifying the CFD outcomes against existing experimental data, providing computational solutions, and assessing the sensitivity of the model.
C1 [Drewry, J. L.; Choi, C. Y.] Univ Wisconsin, Dept Biol Syst Engn, Madison, WI 53706 USA.
[An, L.] Univ Arizona, Dept Agr & Biosyst Engn, Tucson, AZ USA.
[Gharagozloo, P. E.] Sandia Natl Labs, Thermal Fluid Sci & Engn, Livermore, CA USA.
RP Choi, CY (reprint author), Univ Wisconsin, 460 Henry Mall, Madison, WI 53706 USA.
EM cchoi22@wisc.edu
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 No. DE-AC04-94AL85000.
NR 23
TC 2
Z9 2
U1 3
U2 15
PU AMER SOC AGRICULTURAL & BIOLOGICAL ENGINEERS
PI ST JOSEPH
PA 2950 NILES RD, ST JOSEPH, MI 49085-9659 USA
SN 2151-0032
EI 2151-0040
J9 T ASABE
JI Trans. ASABE
PY 2015
VL 58
IS 2
BP 203
EP 213
PG 11
WC Agricultural Engineering
SC Agriculture
GA CG3AX
UT WOS:000353149900003
ER
PT J
AU Mistry, KK
Pol, VG
Thackeray, MM
Wen, JG
Miller, DJ
Erdemir, A
AF Mistry, Kuldeep K.
Pol, Vilas G.
Thackeray, Michael M.
Wen, Jianguo
Miller, Dean J.
Erdemir, Ali
TI Synthesis and Tribology of Micro-Carbon Sphere Additives for Enhanced
Lubrication
SO TRIBOLOGY TRANSACTIONS
LA English
DT Article
DE Carbon; Spheres; Additive; Lubricant; Tribology; Tribofilm
ID SLIDING STEEL SURFACES; FRICTION; GRAPHITE; GRAPHENE; WEAR;
CARBONIZATION; POLYETHYLENE; PRESSURE; ONIONS
AB Poor or inefficient lubrication often gives rise to high friction and wear losses in machine components, which adversely affect their performance, efficiency, and durability. Many approaches are being explored to enhance the antifriction and antiwear properties of sliding machine components. In this study, the antifriction and antiwear properties of carbon spheres, synthesized from plastic waste by an autogenic process, were investigated as an additive to a poly-alpha-olefin (PAO-4 grade) oil. When dispersed at 1 wt% concentration, the carbon spheres reduced both friction and wear under boundary-lubricated sliding conditions. In particular, the reduction in wear was quite dramatic and appeared to be enabled by the formation of a fairly thick (approximate to 200 nm) carbon-rich boundary film, the formation of which is attributed to tribochemical interactions between the carbon particles and sliding contact surfaces.
C1 [Mistry, Kuldeep K.; Pol, Vilas G.; Thackeray, Michael M.; Wen, Jianguo; Miller, Dean J.; Erdemir, Ali] Argonne Natl Lab, Lemont, IL 60439 USA.
RP Mistry, KK (reprint author), Argonne Natl Lab, Lemont, IL 60439 USA.
FU U.S. Department of Energy (DOE); Argonne, a U.S. Department of Energy
Office of Science laboratory [DE-AC02-06CH11357]
FX This research was supported by the U.S. Department of Energy (DOE). Use
of DOE's facilities at the Center for Nanoscale Materials and Electron
Microscopy Center at Argonne National Laboratory, both of which are
supported by the Office of Science, and the XPS, AES, FIB, and TEM
facilities at the Frederick Seitz Materials Research Laboratory,
University of Illinois at Urbana-Champaign, is gratefully acknowledged.
The submitted manuscript has been created by UChicago Argonne, LLC,
Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S.
Department of Energy Office of Science laboratory, is operated under
Contract No. DE-AC02-06CH11357. The U.S. Government retains for itself,
and others acting on its behalf, a paid-up nonexclusive, irrevocable
worldwide license in said article to reproduce, prepare derivative
works, distribute copies to the public, and perform publicly and display
publicly, by or on behalf of the Government.
NR 29
TC 5
Z9 5
U1 3
U2 31
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 1040-2004
EI 1547-397X
J9 TRIBOL T
JI Tribol. Trans.
PY 2015
VL 58
IS 3
BP 474
EP 480
DI 10.1080/10402004.2014.983252
PG 7
WC Engineering, Mechanical
SC Engineering
GA CG8TT
UT WOS:000353586400009
ER
PT S
AU Yang, Z
Albrecht, AR
Cederberg, JG
Sheik-Bahae, M
AF Yang, Zhou
Albrecht, Alexander R.
Cederberg, Jeffrey G.
Sheik-Bahae, Mansoor
BE Guina, M
TI DBR-free optically pumped semiconductor disk lasers
SO VERTICAL EXTERNAL CAVITY SURFACE EMITTING LASERS (VECSELS) V
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Vertical External Cavity Surface Emitting Lasers (VECSELs)
V
CY FEB 09-10, 2015
CL San Francisco, CA
SP SPIE, Coherent Inc
DE Semiconductor Disk Laser; Optically Pumped Semiconductor Laser; VECSEL;
DBR-free
ID SURFACE-EMITTING LASERS; INTRACAVITY; VECSEL
AB Optically pumped semiconductor disk lasers (SDLs) provide high beam quality with high average-power power at designer wavelengths. However, material choices are limited by the need for a distributed Bragg reflector (DBR), usually monolithically integrated with the active region. We demonstrate DBR-free SDL active regions, which have been lifted off and bonded to various transparent substrates. For an InGaAs multi-quantum well sample bonded to a diamond window heat spreader, we achieved CW lasing with an output power of 2 W at 1150 nm with good beam quality.
C1 [Yang, Zhou; Albrecht, Alexander R.; Sheik-Bahae, Mansoor] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA.
[Cederberg, Jeffrey G.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Yang, Z (reprint author), Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA.
EM msb@unm.edu
NR 10
TC 5
Z9 5
U1 1
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-439-4
J9 PROC SPIE
PY 2015
VL 9349
AR 934905
DI 10.1117/12.2079696
PG 6
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BC5AN
UT WOS:000353134900004
ER
PT S
AU Bilki, B
AF Bilki, B.
CA CALICE Collaboration
GP IOP
TI The CALICE digital hadron calorimeter: calibration and response to pions
and positrons
SO 16TH INTERNATIONAL CONFERENCE ON CALORIMETRY IN HIGH ENERGY PHYSICS
(CALOR 2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 16th International Conference on Calorimetry in High Energy Physics
(CALOR)
CY APR 06-11, 2014
CL Justus Liebig Univ, Sci Campus, Giessen, GERMANY
SP HIC FAIR Helmholtz Int Ctr
HO Justus Liebig Univ, Sci Campus
AB In order to measure the jet products of the hadronic decays of electroweak bosons in a future lepton collider with 3-4% resolution, a novel approach named Particle Flow Algorithms is proposed. The Particle Flow Algorithms attempt to measure each particle in a hadronic jet individually, using the detector providing the best energy/momentum resolution. The role of the hadronic calorimeters is to measure the neutral component of the hadronic jets. In this context, the CALICE Collaboration developed the Digital Hadron Calorimeter, which uses Resistive Plate Chambers as active media. The 1-bit resolution (digital) readout of 1 x 1 cm(2) pads achieves a world record in the number of readout channels already at the prototyping stage. Here we report on the results from the analysis of pion events of momenta between 2 to 60 GeV/c collected in the Fermi lab test beam with an emphasis on the intricate calibration procedures.
C1 [Bilki, B.] Argonne Natl Lab, Argonne, IL 60439 USA.
Univ Iowa, Iowa City, IA 52242 USA.
RP Bilki, B (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM burak-bilki@uiowa.edu
OI Bilki, Burak/0000-0001-9515-3306
NR 15
TC 0
Z9 0
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 587
AR 012038
DI 10.1088/1742-6596/587/1/012038
PG 6
WC Physics, Particles & Fields
SC Physics
GA BC4CC
UT WOS:000352292400038
ER
PT S
AU Bilki, B
AF Bilki, B.
CA CMS Collaboration
GP IOP
TI CMS Forward Calorimeters Phase II Upgrade
SO 16TH INTERNATIONAL CONFERENCE ON CALORIMETRY IN HIGH ENERGY PHYSICS
(CALOR 2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 16th International Conference on Calorimetry in High Energy Physics
(CALOR)
CY APR 06-11, 2014
CL Justus Liebig Univ, Sci Campus, Giessen, GERMANY
SP HIC FAIR Helmholtz Int Ctr
HO Justus Liebig Univ, Sci Campus
ID PERFORMANCE; LHC; CALIBRATION; PARTICLE; DESIGN; WEDGES; BOSON
AB The Phase II Upgrade of the CMS forward calorimeters (electromagnetic and hadronic) originates from the fact that these calorimeters will not be sufficiently performant with the expected HL-LHC (High Luminosity LHC) conditions. The major challenge is to preserve/improve the high performance of the current forward detectors with new devices that can withstand the unprecedented radiation levels and disentangle the very large event pileup. Here, we present an overview of the various upgrade options being considered by CMS, explaining the detector concepts and current/future beam test activities.
C1 [Bilki, B.] Univ Iowa, Iowa City, IA 52242 USA.
Argonne Natl Lab, Argonne, IL 60439 USA.
RP Bilki, B (reprint author), Univ Iowa, Iowa City, IA 52242 USA.
EM burak-bilki@uiowa.edu
OI Bilki, Burak/0000-0001-9515-3306
NR 28
TC 3
Z9 3
U1 1
U2 3
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 587
AR 012014
DI 10.1088/1742-6596/587/1/012014
PG 12
WC Physics, Particles & Fields
SC Physics
GA BC4CC
UT WOS:000352292400014
ER
PT S
AU Bornheim, A
Apresyan, A
Duarte, J
Pena, C
Ronzhin, A
Spiropulu, M
Xie, S
AF Bornheim, Adolf
Apresyan, Artur
Duarte, Javier
Pena, Cristian
Ronzhin, Anatoly
Spiropulu, Maria
Xie, Si
GP IOP
TI Calorimeters for Precision Timing Measurements in High Energy Physics
SO 16TH INTERNATIONAL CONFERENCE ON CALORIMETRY IN HIGH ENERGY PHYSICS
(CALOR 2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 16th International Conference on Calorimetry in High Energy Physics
(CALOR)
CY APR 06-11, 2014
CL Justus Liebig Univ, Sci Campus, Giessen, GERMANY
SP HIC FAIR Helmholtz Int Ctr
HO Justus Liebig Univ, Sci Campus
AB Current and future high energy physics particle colliders are capable to provide instantaneous luminosities of 1034 cm-2s-1 and above. The high center of mass energy, the large number of simultaneous collision of beam particles in the experiments and the very high repetition rates of the collision events pose huge challenges. They result in extremely high particle fluxes, causing very high occupancies in the particle physics detectors operating at these machines. To reconstruct the physics events, the detectors have to make as much information as possible available on the final state particles. We discuss how timing information with a precision of around 10 ps and below can aid the reconstruction of the physics events under such challenging conditions. High energy photons play a crucial role in this context. About one third of the particle flux originating from high energy hadron collisions is detected as photons, stemming from the decays of neutral mesons. In addition, many key physics signatures under study are identified by high energy photons in the final state. They pose a particular challenge in that they can only be detected once they convert in the detector material. The particular challenge in measuring the time of arrival of a high energy photon lies in the stochastic component of the distance to the initial conversion and the size of the electromagnetic shower. They extend spatially over distances which propagation times of the initial photon and the subsequent electromagnetic shower which are large compared to the desired precision. We present studies and measurements from test beams and a cosmic muon test stand for calorimeter based timing measurements to explore the ultimate timing precision achievable for high energy photons of 10 GeV and above. We put particular focus on techniques to measure the timing with a precision of about 10 ps in association with the energy of the photon. For calorimeters utilizing scintillating materials and light guiding components, the propagation speed of the scintillation light in the calorimeter is important. We present studies and measurements of the propagation speed on a range of detector geometries. Finally, possible applications of precision timing in future high energy physics experiments are discussed.
C1 [Bornheim, Adolf; Apresyan, Artur; Duarte, Javier; Pena, Cristian; Spiropulu, Maria; Xie, Si] CALTECH, Pasadena, CA 91125 USA.
[Ronzhin, Anatoly] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Bornheim, A (reprint author), CALTECH, 1200 E Calif Blvd, Pasadena, CA 91125 USA.
EM bornheim@hep.caltech.edu
NR 3
TC 1
Z9 1
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 587
AR 012057
DI 10.1088/1742-6596/587/1/012057
PG 11
WC Physics, Particles & Fields
SC Physics
GA BC4CC
UT WOS:000352292400057
ER
PT S
AU Gatto, C
Di Benedetto, V
Mazzacane, A
AF Gatto, C.
Di Benedetto, V.
Mazzacane, A.
CA T1015 Collaboration
GP IOP
TI Status of ADRIANO R&D in T1015 Collaboration
SO 16TH INTERNATIONAL CONFERENCE ON CALORIMETRY IN HIGH ENERGY PHYSICS
(CALOR 2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 16th International Conference on Calorimetry in High Energy Physics
(CALOR)
CY APR 06-11, 2014
CL Justus Liebig Univ, Sci Campus, Giessen, GERMANY
SP HIC FAIR Helmholtz Int Ctr
HO Justus Liebig Univ, Sci Campus
AB The physics program for future High Energy and High Intensity experiments requires an energy resolution of the calorimetric component of detectors at limits of traditional techniques and an excellent particle identification. The novel ADRIANO technology (A Dualreadout Integrally Active Non-segmented Option), currently under development at Fermilab, is showing excellent performance on those respects. Results from detailed Monte Carlo studies on the performance with respect to energy resolution, linear response and transverse containment and a preliminary optimization of the layout are presented. A baseline configuration is chosen with an estimated energy resolution of sigma(E)/E 30%/ root E, to support an extensive R&D program recently started by T1015 Collaboration at Fermilab. Preliminary results from several test beams at the Fermilab Test Beam Facility (FTBF) of a similar to 1 lambda 1 prototype are presented. Future prospects with ultra-heavy glass are, also, summarized.
C1 [Gatto, C.; T1015 Collaboration] Ist Nazl Fis Nucl, Sez Napoli, I-80126 Naples, Italy.
[Di Benedetto, V.; Mazzacane, A.] Fermilab Natl Accelerator Lab, Batavia, IL USA.
RP Gatto, C (reprint author), Ist Nazl Fis Nucl, Sez Napoli, Via Cinthia, I-80126 Naples, Italy.
EM corrado.gatto@na.infn.it
NR 2
TC 0
Z9 0
U1 1
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 587
AR 012060
DI 10.1088/1742-6596/587/1/012060
PG 9
WC Physics, Particles & Fields
SC Physics
GA BC4CC
UT WOS:000352292400060
ER
PT S
AU Ma, H
AF Ma, Hong
CA ATLAS Liquid Argon Calorimeter Grp
GP IOP
TI Upgraded Trigger Readout Electronics for the ATLAS LAr Calorimeters for
Future LHC Running
SO 16TH INTERNATIONAL CONFERENCE ON CALORIMETRY IN HIGH ENERGY PHYSICS
(CALOR 2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 16th International Conference on Calorimetry in High Energy Physics
(CALOR)
CY APR 06-11, 2014
CL Justus Liebig Univ, Sci Campus, Giessen, GERMANY
SP HIC FAIR Helmholtz Int Ctr
HO Justus Liebig Univ, Sci Campus
AB The ATLAS Liquid Argon (LAr) calorimeters produce almost 200K signals that are digitized and processed by the front-end and back-end electronics for every triggered event. Additionally, the front-end electronics sums analog signals to provide coarse-grained energy sums to the first-level (L1) trigger system. The current design was optimized for the nominal LHC luminosity of 10(34)cm(-2)s(-1). In order to retain the capability to trigger on low energy electrons and photons when the LHC is upgraded to higher luminosity, an improved LAr calorimeter trigger readout is proposed and being constructed. The new trigger readout system makes available the fine segmentation of the calorimeter at the L1 trigger with high precision in order to reduce the QCD jet background in electron, photon and tau triggers, and to improve jet and missing ET trigger performance. The new LAr Trigger Digitizer Board is designed to receive the higher granularity signals, digitize them on-detector and send them via fast optical links to a new Digital Processing System. The reconstructed energies of trigger readout channels after digital filtering are transmitted to the L1 system, allowing the extraction of improved trigger signatures. This contribution presents the motivation for the upgrade, the concept for the new trigger readout and the expected performance of the new trigger, and describes the components being developed for the new system.
C1 [Ma, Hong; ATLAS Liquid Argon Calorimeter Grp] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
RP Ma, H (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
EM hina@bnl.gov
RI Fabbri, Laura/H-3442-2012
OI Fabbri, Laura/0000-0002-4002-8353
NR 3
TC 0
Z9 0
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 587
AR 012019
DI 10.1088/1742-6596/587/1/012019
PG 6
WC Physics, Particles & Fields
SC Physics
GA BC4CC
UT WOS:000352292400019
ER
PT S
AU Pezzullo, G
Budagov, J
Carosi, R
Cervelli, F
Cheng, C
Cordelli, M
Corradi, G
Davydov, Y
Echenard, B
Giovannella, S
Glagolev, V
Happacher, F
Hitlin, D
Luca, A
Martini, M
Miscetti, S
Murat, P
Ongmonkolkul, P
Porter, F
Saputi, A
Sarra, I
Spinella, F
Stomaci, V
Tassielli, G
AF Pezzullo, Gianantonio
Budagov, J.
Carosi, R.
Cervelli, F.
Cheng, C.
Cordelli, M.
Corradi, G.
Davydov, Yu.
Echenard, B.
Giovannella, S.
Glagolev, V.
Happacher, F.
Hitlin, D.
Luca, A.
Martini, M.
Miscetti, S.
Murat, P.
Ongmonkolkul, P.
Porter, F.
Saputi, A.
Sarra, I.
Spinella, F.
Stomaci, V.
Tassielli, G.
GP IOP
TI Progress status for the Mu2e calorimeter system
SO 16TH INTERNATIONAL CONFERENCE ON CALORIMETRY IN HIGH ENERGY PHYSICS
(CALOR 2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 16th International Conference on Calorimetry in High Energy Physics
(CALOR)
CY APR 06-11, 2014
CL Justus Liebig Univ, Sci Campus, Giessen, GERMANY
SP HIC FAIR Helmholtz Int Ctr
HO Justus Liebig Univ, Sci Campus
AB The Mu2e experiment at FNAL aims to measure the charged-lepton flavor violating neutrinoless conversion of a negative muon into an electron. The conversion results in a monochromatic electron with an energy slightly below the muon rest mass (104.97 MeV). The calorimeter should confirm that the candidates reconstructed by the extremely precise tracker system are indeed conversion electrons while performing a powerful i/e particle identification. Moreover, it should also provide a high level trigger for the experiment independently from the tracker system. The calorimeter should also be able to keep functionality in an environment where the background delivers a dose of 10 krad/year in the hottest area and to work in the presence of 1 T axial magnetic field. These requirements translate in the design of a calorimeter with large acceptance, good energy resolution 0(5%) and a reasonable position (time) resolution of similar to <1 cm (<0.5ns). The baseline version of the calorimeter is composed by two disks of inner (outer) radius of 351 (660) mm filled by 1860 hexagonal BaF2 crystals of 20 cm length. Each crystal is readout by two large area APD's. In this paper, we summarize the experimental tests done so far as well as the simulation studies in the Mu2e environment.
C1 [Pezzullo, Gianantonio] Univ Pisa, Dept Phys, I-56100 Pisa, Italy.
Ist Nazl Fis Nucl, Sez Pisa, Pisa, Italy.
Joint Inst Nucl Res, Dubna, Russia.
CALTECH, Dept Phys, Pasadena, CA 91125 USA.
Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy.
Ist Nazl Fis Nucl, Sez Lecce, I-73100 Lecce, Italy.
Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Pezzullo, G (reprint author), Univ Pisa, Dept Phys, Largo B Pontecorvo 3, I-56100 Pisa, Italy.
EM pezzullo@pi.infn.it
RI Tassielli, Giovanni Francesco/K-2929-2015;
OI Tassielli, Giovanni Francesco/0000-0003-3410-6754; Giovannella,
Simona/0000-0002-6243-1215; Pezzullo, Gianantonio/0000-0002-6653-1555
NR 9
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 587
AR 012047
DI 10.1088/1742-6596/587/1/012047
PG 13
WC Physics, Particles & Fields
SC Physics
GA BC4CC
UT WOS:000352292400047
ER
PT S
AU Ronzhin, A
Los, S
Ramberg, E
Spiropulu, M
Apresyan, A
Xie, S
Kim, H
Zatserklyaniy, A
AF Ronzhin, A.
Los, S.
Ramberg, E.
Spiropulu, M.
Apresyan, A.
Xie, S.
Kim, H.
Zatserklyaniy, A.
GP IOP
TI New Fast Shower Max Detector Based on MCP as an Active Element
SO 16TH INTERNATIONAL CONFERENCE ON CALORIMETRY IN HIGH ENERGY PHYSICS
(CALOR 2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 16th International Conference on Calorimetry in High Energy Physics
(CALOR)
CY APR 06-11, 2014
CL Justus Liebig Univ, Sci Campus, Giessen, GERMANY
SP HIC FAIR Helmholtz Int Ctr
HO Justus Liebig Univ, Sci Campus
AB One possibility to make a fast and radiation resistant shower maximum (SM) detector is to use a secondary emitter as an active element. We present below test beam results, obtained with different types of photo detectors based on micro channel plates (MCP) as secondary emitter. The SM time resolution - we obtained for this new type of detector is at the level of 20-30 ps. We estimate that a significant contribution to the detector response originates from secondary emission of the MCP.
C1 [Ronzhin, A.; Los, S.; Ramberg, E.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
[Spiropulu, M.; Apresyan, A.; Xie, S.] CALTECH, Pasadena, CA 91125 USA.
[Kim, H.] Univ Chicago, Chicago, IL 60637 USA.
[Zatserklyaniy, A.] Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA.
RP Ronzhin, A (reprint author), Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
EM Artur.Apresyan@cern.ch
NR 5
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 587
AR 012058
DI 10.1088/1742-6596/587/1/012058
PG 6
WC Physics, Particles & Fields
SC Physics
GA BC4CC
UT WOS:000352292400058
ER
PT S
AU Seabra, L
Alves, R
Andringa, S
Bradbury, S
Carvalho, J
Clark, K
Coulter, I
Descamps, F
Falk, L
Gurriana, L
Kraus, C
Lefeuvre, G
Maio, A
Maneira, J
Mottram, M
Peeters, S
Rose, J
Sinclair, J
Skensved, P
Waterfield, J
White, R
Wilson, J
AF Seabra, L.
Alves, R.
Andringa, S.
Bradbury, S.
Carvalho, J.
Clark, K.
Coulter, I.
Descamps, F.
Falk, L.
Gurriana, L.
Kraus, C.
Lefeuvre, G.
Maio, A.
Maneira, J.
Mottram, M.
Peeters, S.
Rose, J.
Sinclair, J.
Skensved, P.
Waterfield, J.
White, R.
Wilson, J.
CA SNO Collaboration
GP IOP
TI The LED and fiber based calibration system for the photomultiplier array
of SNO
SO 16TH INTERNATIONAL CONFERENCE ON CALORIMETRY IN HIGH ENERGY PHYSICS
(CALOR 2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 16th International Conference on Calorimetry in High Energy Physics
(CALOR)
CY APR 06-11, 2014
CL Justus Liebig Univ, Sci Campus, Giessen, GERMANY
SP HIC FAIR Helmholtz Int Ctr
HO Justus Liebig Univ, Sci Campus
AB A new external LED/fiber light injection calibration system was designed for the calibration and monitoring of the photomultiplier array of the SNO+ experiment at SNOLAB. The goal of the calibration system is to allow an accurate and regular measurement of the photomultiplier array's performance, while minimizing the risk of radioactivity ingress. The choice in SNO+ was to use a set of optical fiber cables to convey into the detector the light pulses produced by external LEDs. The quality control was carried out using a modified test bench that was used in QC of optical fibers for TileCal/ATLAS. The optical fibers were characterized for transmission, timing and angular dispersions. This article describes the setups used for the characterization and quality control of the system based on LEDs and optical fibers and their results.
C1 [Seabra, L.; Andringa, S.; Gurriana, L.; Maio, A.; Maneira, J.] Lab Instrumentacao & Fis Expt Particulas LIP, P-1000149 Lisbon, Portugal.
[Alves, R.; Carvalho, J.] Univ Coimbra, Lab Instrumentacao & Fis Expt Particulas, P-3004516 Coimbra, Portugal.
[Alves, R.; Carvalho, J.] Univ Coimbra, Dept Fis, P-3004516 Coimbra, Portugal.
[Bradbury, S.] Univ Leeds, Sch Phys & Astron, Leeds LS2 9JT, W Yorkshire, England.
[Clark, K.; Falk, L.; Lefeuvre, G.; Mottram, M.; Peeters, S.; Sinclair, J.; Waterfield, J.; White, R.] Univ Sussex, Dept Phys & Astron, Brighton BN1 9QH, E Sussex, England.
[Coulter, I.] Univ Oxford, Dept Phys, Oxford OX1 3RH, England.
[Descamps, F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA.
[Kraus, C.] Laurentian Univ, Dept Phys & Astron, Sudbury, ON P3E 2C6, Canada.
[Maio, A.; Maneira, J.] Univ Lisbon, Dept Fis, Fac Ciencias, P-1749016 Lisbon, Portugal.
[Rose, J.] Univ Liverpool, Dept Phys, Liverpool L69 7ZE, Merseyside, England.
[Maio, A.] Univ Lisbon, Ctr Fis Nucl, P-1649003 Lisbon, Portugal.
[Skensved, P.] Queens Univ, Dept Phys, Kingston, ON K7L 3N6, Canada.
[Wilson, J.] Univ London, Sch Phys & Astron, Queen Mary, London E1 4NS, England.
RP Seabra, L (reprint author), Lab Instrumentacao & Fis Expt Particulas LIP, Av Elias Garcia 14,1, P-1000149 Lisbon, Portugal.
EM lseabra@lip.pt
RI Carvalho, Joao/M-4060-2013
OI Carvalho, Joao/0000-0002-3015-7821
NR 5
TC 0
Z9 0
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 587
AR 012031
DI 10.1088/1742-6596/587/1/012031
PG 5
WC Physics, Particles & Fields
SC Physics
GA BC4CC
UT WOS:000352292400031
ER
PT S
AU Tsai, OD
Aschenauer, E
Christie, W
Dunkelberger, LE
Fazio, S
Gagliardi, CA
Heppelmann, S
Huang, HZ
Jacobs, WW
Igo, G
Kisilev, A
Landry, K
Liu, X
Mondal, MM
Pan, YX
Sergeeva, M
Shah, N
Sichtermann, E
Trentalange, S
Visser, G
Wissink, S
AF Tsai, O. D.
Aschenauer, E.
Christie, W.
Dunkelberger, L. E.
Fazio, S.
Gagliardi, C. A.
Heppelmann, S.
Huang, H. Z.
Jacobs, W. W.
Igo, G.
Kisilev, A.
Landry, K.
Liu, X.
Mondal, M. M.
Pan, Y. X.
Sergeeva, M.
Shah, N.
Sichtermann, E.
Trentalange, S.
Visser, G.
Wissink, S.
GP IOP
TI Development of a forward calorimeter system for the STAR experiment.
SO 16TH INTERNATIONAL CONFERENCE ON CALORIMETRY IN HIGH ENERGY PHYSICS
(CALOR 2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 16th International Conference on Calorimetry in High Energy Physics
(CALOR)
CY APR 06-11, 2014
CL Justus Liebig Univ, Sci Campus, Giessen, GERMANY
SP HIC FAIR Helmholtz Int Ctr
HO Justus Liebig Univ, Sci Campus
AB We present results of an R&D program to develop a forward calorimeter system (FCS) for the STAR experiment at the Relativistic Heavy Ion Collider at BNL. The FCS is a very compact, compensated, finely granulated, high resolution calorimeter system being developed for p+p and p+A program at RHIC. The FCS prototype consists of both electromagnetic and hadron calorimeters. The electromagnetic portion of the detector is constructed with W powder and scintillation fibers. The hadronic calorimeter is a traditional Pb/Sc-plate sandwich design. Both calorimeters were readout with Hamamatsu MPPCs. A full-scale prototype of the FCS was tested with a beam at FNAL in March 2014. We present details of the design, construction technique and performance of the FCS prototype during the test run at FNAL.
C1 [Tsai, O. D.; Dunkelberger, L. E.; Huang, H. Z.; Igo, G.; Landry, K.; Liu, X.; Pan, Y. X.; Sergeeva, M.; Shah, N.; Trentalange, S.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA.
[Aschenauer, E.; Christie, W.; Fazio, S.; Kisilev, A.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Gagliardi, C. A.; Mondal, M. M.] Texas A&M Univ, College Stn, TX 77843 USA.
[Heppelmann, S.] Penn State Univ, University Pk, PA 16802 USA.
[Jacobs, W. W.; Visser, G.; Wissink, S.] Indiana Univ, CEEM, Bloomington, IN 47408 USA.
[Sichtermann, E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Tsai, OD (reprint author), Univ Calif Los Angeles, Los Angeles, CA 90095 USA.
EM tsai@physics.ucla.edu
RI Fazio, Salvatore /G-5156-2010
NR 4
TC 1
Z9 1
U1 0
U2 2
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 587
AR 012053
DI 10.1088/1742-6596/587/1/012053
PG 10
WC Physics, Particles & Fields
SC Physics
GA BC4CC
UT WOS:000352292400053
ER
PT S
AU Woody, C
Kistenev, E
AF Woody, C.
Kistenev, E.
CA PHENIX Collaboration
GP IOP
TI Design Studies of the Calorimeter Systems for the sPHENIX Experiment at
RHIC and Future Upgrade Plans
SO 16TH INTERNATIONAL CONFERENCE ON CALORIMETRY IN HIGH ENERGY PHYSICS
(CALOR 2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 16th International Conference on Calorimetry in High Energy Physics
(CALOR)
CY APR 06-11, 2014
CL Justus Liebig Univ, Sci Campus, Giessen, GERMANY
SP HIC FAIR Helmholtz Int Ctr
HO Justus Liebig Univ, Sci Campus
AB The PHENIX Experiment at RHIC is planning a series of major upgrades that will enable a comprehensive measurement of jets in relativistic heavy ion collisions, provide enhanced physics capabilities for studying nucleon-nucleus and polarized proton collisions, and allow a detailed study of electron-nucleus collisions at the Electron Ion Collider at Brookhaven (eRHIC). The first of these upgrades, sPHENIX, will be based on the former BaBar magnet and will include a hadronic calorimeter and new electromagnetic calorimeter that will cover 1.1 units in pseudorapidity and 27c in azimuth in the central region, resulting in a factor of 6 increase in acceptance over the present PHENIX detector. The electromagnetic calorimeter will be a tungsten scintillating fiber design with a radiation length 7 mm and a Moliere radius similar to 2 cm. It will have a total depth of 18 radiation lengths and an energy resolution 15%/4E. The hadronic calorimeter will consist of steel plates with scintillating tiles in between that are read out with wavelength shifting fibers, It will have a total depth of 5 interaction lengths and an energy resolution 100%/4E. Both calorimeters will use silicon photomultipliers as the readout sensor. Detailed design studies and Monte Carlo simulations for both calorimeters have been carried out and prototype detectors have been constructed and tested in a test beam at Fermi lab in February 2014. This contribution describes these design studies for the sPHENIX experiment and its future upgrade plans at RHIC.
C1 [Woody, C.; Kistenev, E.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
RP Woody, C (reprint author), Brookhaven Natl Lab, Dept Phys, Bldg 510C, Upton, NY 11973 USA.
EM woody@bnl.gov; kistenev@bnl.gov
NR 3
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 587
AR 012054
DI 10.1088/1742-6596/587/1/012054
PG 8
WC Physics, Particles & Fields
SC Physics
GA BC4CC
UT WOS:000352292400054
ER
PT S
AU Haranczyk, M
Martin, RL
AF Haranczyk, M.
Martin, R. L.
BE Vagenas, EC
Vlachos, DS
Bastos, C
Hofer, T
Kominis, Y
Kosmas, O
LeLay, G
DePadova, P
Rode, B
Suraud, E
Varga, K
TI Mathematical Tools for Discovery of Nanoporous Materials for Energy
Applications
SO 3RD INTERNATIONAL CONFERENCE ON MATHEMATICAL MODELING IN PHYSICAL
SCIENCES (IC-MSQUARE 2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 3rd International Conference on Mathematical Modeling in Physical
Sciences (IC-MSQUARE)
CY AUG 28-31, 2014
CL Madrid, SPAIN
ID CRYSTALLINE POROUS MATERIALS; METAL-ORGANIC FRAMEWORKS;
HIGH-SURFACE-AREA; POLYMER NETWORKS
AB Porous materials such as zeolites and metal organic frameworks have been of growing importance as materials for energy-related applications such as CO2 capture, hydrogen and methane storage, and catalysis. The current state-of-the-art molecular simulations allow for accurate in silico prediction of materials' properties but the computational cost of such calculations prohibits their application in the characterisation of very large sets of structures, which would be required to perform brute-force screening. Our work focuses on the development of novel methodologies to efficiently characterize and explore this complex materials space. In particular, we have been developing algorithms and tools for enumeration and characterisation of porous material databases as well as efficient screening approaches. Our methodology represents a ensemble of mathematical methods. We have used Voronoi tessellation-based techniques to enable high-throughput structure characterisation, statistical techniques to perform comparison and screening, and continuous optimisation to design materials. This article outlines our developments in material design.
C1 [Haranczyk, M.; Martin, R. L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Haranczyk, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM mharanczyk@lbl.gov
RI Haranczyk, Maciej/A-6380-2014
OI Haranczyk, Maciej/0000-0001-7146-9568
NR 14
TC 1
Z9 1
U1 1
U2 9
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 574
AR 012103
DI 10.1088/1742-6596/574/1/012103
PG 5
WC Mathematics, Applied; Physics, Applied; Physics, Multidisciplinary
SC Mathematics; Physics
GA BC4LF
UT WOS:000352595600103
ER
PT S
AU David, G
AF David, Gabor
GP IOP
TI Event characterization in (very) asymmetric collisions
SO 9TH INTERNATIONAL WORKSHOP ON HIGH-PT PHYSICS AT LHC
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 9th International Workshop on High-pT Physics at LHC
CY SEP 24-28, 2013
CL Grenoble, FRANCE
AB Event-by-event reconstruction of the collision geometry using some incarnation of the Glauber-model is a widely accepted method in studying heavy ion collisions. While there is no known problem with the procedure when applied to the collision of two large ions, we will argue that in very asymmetric collisions, like p(d)+A with at least one hard scattering process occuring the event geometry deduced with the simple Glauber-model may be biased.
C1 Brookhaven Natl Lab, Upton, NY 11973 USA.
RP David, G (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM david@bnl.gov
NR 12
TC 0
Z9 0
U1 1
U2 2
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 589
AR 012005
DI 10.1088/1742-6596/589/1/012005
PG 6
WC Physics, Nuclear
SC Physics
GA BC4AG
UT WOS:000352195100005
ER
PT S
AU Tannenbaum, MJ
AF Tannenbaum, M. J.
GP IOP
TI How do quarks and gluons lose energy in the QGP?
SO 9TH INTERNATIONAL WORKSHOP ON HIGH-PT PHYSICS AT LHC
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 9th International Workshop on High-pT Physics at LHC
CY SEP 24-28, 2013
CL Grenoble, FRANCE
ID LARGE TRANSVERSE-MOMENTUM; ROOT-S(NN)=2.76 TEV; INCLUSIVE PROCESSES;
COLLISIONS; PHENIX; QCD
AB RHIC introduced the method of hard scattering of partons as an in-situ probe of the the medium produced in A+A collisions. A suppression, R-AA approximate to 0.2 relative to binary-scaling, was discovered for pi(0) production in the range 5 <= p(T) <= 20 GeV/c in central Au+Au collisions at root s(NN) = 200 GeV, and surprisingly also for single-electrons from the decay of heavy quarks. Both these results have been confirmed in Pb+Pb collisions at the LHC at root s(NN) = 2.76 TeV. Interestingly, in this p(T) range the LHC results for pions nearly overlap the RHIC results. Thus, due to the flatter spectrum, the energy loss in the medium at LHC in this p(T) range must be similar to 40% larger than at RHIC. Unique at the LHC are the beautiful measurements of the fractional transverse momentum imbalance 1 - <(p) over capT(2)/(p) over capT(1)> of di-jets in Pb+Pb collisions. At the Utrecht meeting in 2011, I corrected for the fractional imbalance of di-jets with the same cuts in p-p collisions and showed that the relative fractional jet imbalance in Pb+Pb/p-p is approximate to 15% for jets with 120 <= (p) over capT(1)<= 360 GeV/c. CMS later confirmed this much smaller imbalance compared to the same quantity derived from two-particle correlations of di-jet fragments at RHIC corresponding to jet (p) over cap (T) approximate to 10-20 GeV/c, which appear to show a much larger fractional jet imbalance approximate to 45% in this lower (p) over cap (T) range. The variation of apparent energy loss in the medium as a function of both p(T) and root S-NN is striking and presents a challenge to both theory and experiment for improved understanding. There are many other such unresolved issues, for instance, the absence of evidence for (q) over cap effect, due to momentum transferred to the medium by outgoing partons, which would widen the away-side di-jet and di-hadron correlations in a similar fashion as the k(T)-effect. Another issue well known from experiments at the CERN ISR, SpS and SpS collider is that parton-parton hard-collisions make negligible contribution to multiplicity or transverse energy production in p-p collisions-soft particles, with p(T) <= 2 GeV/c, predominate. Thus an apparent hard scattering component for A+A multiplicity distributions based on a popular formula, dN(ch)(AA)/d eta = [(1 - x) < N-part > dN(ch)(pp)/d eta/2 + x < N-coll > dN(ch)(pp)/d eta], seems to be an unphysical way to understand the deviation from N-part scaling. Based on recent p-p and d+A measurements, a more physical way is presented along with several other stimulating results and ideas from recent d+Au (p+Pb) measurements.
C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
RP Tannenbaum, MJ (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
EM mjt@bnl.gov
OI Tannenbaum, Michael/0000-0002-8840-5314
NR 54
TC 0
Z9 0
U1 0
U2 3
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 589
AR 012019
DI 10.1088/1742-6596/589/1/012019
PG 16
WC Physics, Nuclear
SC Physics
GA BC4AG
UT WOS:000352195100019
ER
PT J
AU Aalseth, CE
Agnes, P
Alton, A
Arisaka, K
Asner, DM
Back, HO
Baldin, B
Biery, K
Bonfini, G
Bossa, M
Brigatti, A
Brodsky, J
Budano, F
Cadonati, L
Cadoni, M
Calaprice, F
Canci, N
Candela, A
Cao, H
Cariello, M
Cavalcante, P
Chepurnov, A
Cocco, AG
Condon, C
Crippa, L
D'Angelo, D
D'Incecco, M
Davini, S
De Deo, M
Derbin, A
Devoto, A
Di Eusanio, F
Edkins, E
Empl, A
Fan, A
Fiorillo, G
Fomenko, K
Forster, G
Foxe, M
Franco, D
Gabriele, F
Galbiati, C
Goretti, A
Grandi, L
Gromov, M
Guan, MY
Guardincerri, Y
Hackett, B
Herner, K
Hime, A
Humble, P
Hungerford, E
Ianni, A
Ianni, A
Jaffe, DE
Jollet, C
Keeter, K
Kendziora, C
Kidner, S
Kobychev, V
Koh, G
Korablev, D
Korga, G
Kurlej, A
Li, PX
Lissia, M
Lombardi, P
Ludhova, L
Luitz, S
Lukyachenko, G
Ma, YQ
Machulin, I
Mandarano, A
Mari, SM
Maricic, J
Marini, L
Markov, D
Martoff, J
Meregaglia, A
Meroni, E
Meyers, PD
Miletic, T
Milincic, R
Montuschi, M
Monzani, ME
Mosteiro, P
Mount, B
Muratova, V
Musico, P
Montanari, D
Nelson, A
Odrowski, S
Odrzywolek, A
Orrell, JL
Orsini, M
Ortica, F
Pagani, L
Pallavicini, M
Pantic, E
Parmeggiano, S
Parsells, B
Pelczar, K
Pelliccia, N
Perasso, S
Perasso, L
Pocar, A
Pordes, S
Pugachev, D
Qian, H
Randle, K
Ranucci, G
Razeto, A
Recine, K
Reinhold, B
Renshaw, A
Romani, A
Rossi, N
Rossi, B
Rountree, SD
Sablone, D
Saggese, P
Saldanha, R
Sands, W
Sangiorgio, S
Segreto, E
Semenov, D
Shields, E
Skorokhvatov, M
Smallcomb, M
Smirnov, O
Sotnikov, A
Suvurov, Y
Tartaglia, R
Tatarowicz, J
Testera, G
Tonazzo, A
Unzhakov, E
Vogelaar, RB
Wada, M
Walker, SE
Wang, H
Wang, Y
Watson, AW
Westerdale, S
Williams, R
Wojcik, M
Xu, J
Yang, CG
Yoo, J
Yu, B
Zavatarelli, S
Zhong, WL
Zuzel, G
AF Aalseth, C. E.
Agnes, P.
Alton, A.
Arisaka, K.
Asner, D. M.
Back, H. O.
Baldin, B.
Biery, K.
Bonfini, G.
Bossa, M.
Brigatti, A.
Brodsky, J.
Budano, F.
Cadonati, L.
Cadoni, M.
Calaprice, F.
Canci, N.
Candela, A.
Cao, H.
Cariello, M.
Cavalcante, P.
Chepurnov, A.
Cocco, A. G.
Condon, C.
Crippa, L.
D'Angelo, D.
D'Incecco, M.
Davini, S.
De Deo, M.
Derbin, A.
Devoto, A.
Di Eusanio, F.
Edkins, E.
Empl, A.
Fan, A.
Fiorillo, G.
Fomenko, K.
Forster, G.
Foxe, M.
Franco, D.
Gabriele, F.
Galbiati, C.
Goretti, A.
Grandi, L.
Gromov, M.
Guan, M. Y.
Guardincerri, Y.
Hackett, B.
Herner, K.
Hime, A.
Humble, P.
Hungerford, E.
Ianni, Al.
Ianni, An.
Jaffe, D. E.
Jollet, C.
Keeter, K.
Kendziora, C.
Kidner, S.
Kobychev, V.
Koh, G.
Korablev, D.
Korga, G.
Kurlej, A.
Li, P. X.
Lissia, M.
Lombardi, P.
Ludhova, L.
Luitz, S.
Lukyachenko, G.
Ma, Y. Q.
Machulin, I.
Mandarano, A.
Mari, S. M.
Maricic, J.
Marini, L.
Markov, D.
Martoff, J.
Meregaglia, A.
Meroni, E.
Meyers, P. D.
Miletic, T.
Milincic, R.
Montuschi, M.
Monzani, M. E.
Mosteiro, P.
Mount, B.
Muratova, V.
Musico, P.
Montanari, D.
Nelson, A.
Odrowski, S.
Odrzywolek, A.
Orrell, J. L.
Orsini, M.
Ortica, F.
Pagani, L.
Pallavicini, M.
Pantic, E.
Parmeggiano, S.
Parsells, B.
Pelczar, K.
Pelliccia, N.
Perasso, S.
Perasso, L.
Pocar, A.
Pordes, S.
Pugachev, D.
Qian, H.
Randle, K.
Ranucci, G.
Razeto, A.
Recine, K.
Reinhold, B.
Renshaw, A.
Romani, A.
Rossi, N.
Rossi, B.
Rountree, S. D.
Sablone, D.
Saggese, P.
Saldanha, R.
Sands, W.
Sangiorgio, S.
Segreto, E.
Semenov, D.
Shields, E.
Skorokhvatov, M.
Smallcomb, M.
Smirnov, O.
Sotnikov, A.
Suvurov, Y.
Tartaglia, R.
Tatarowicz, J.
Testera, G.
Tonazzo, A.
Unzhakov, E.
Vogelaar, R. B.
Wada, M.
Walker, S. E.
Wang, H.
Wang, Y.
Watson, A. W.
Westerdale, S.
Williams, R.
Wojcik, M.
Xu, J.
Yang, C. G.
Yoo, J.
Yu, B.
Zavatarelli, S.
Zhong, W. L.
Zuzel, G.
TI The DarkSide Multiton Detector for the Direct Dark Matter Search
SO ADVANCES IN HIGH ENERGY PHYSICS
LA English
DT Article
ID GRAN SASSO; LIQUID ARGON
AB Although the existence of dark matter is supported by many evidences, based on astrophysical measurements, its nature is still completely unknown. One major candidate is represented by weakly interacting massive particles (WIMPs), which could in principle be detected through their collisions with ordinary nuclei in a sensitive target, producing observable low-energy (< 100 keV) nuclear recoils. The DarkSide program aims at the WIPMs detection using a liquid argon time projection chamber (LAr-TPC). In this paper we quickly review the DarkSide program focusing in particular on the next generation experiment DarkSide-G2, a 3.6-ton LAr-TPC. The different detector components are described as well as the improvements needed to scale the detector from DarkSide50 (50 kg LAr-TPC) up to DarkSide-G2. Finally, the preliminary results on background suppression and expected sensitivity are presented.
C1 [Aalseth, C. E.; Asner, D. M.; Foxe, M.; Hime, A.; Humble, P.; Orrell, J. L.; Williams, R.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Agnes, P.; Franco, D.; Perasso, S.; Tonazzo, A.] Univ Paris Diderot, Sorbonne Paris Cite, APC, F-75205 Paris, France.
[Alton, A.; Smallcomb, M.] Augustana Coll, Dept Phys & Astron, Sioux Falls, SD 57197 USA.
[Arisaka, K.; Canci, N.; Fan, A.; Pantic, E.; Renshaw, A.; Suvurov, Y.; Wang, H.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA.
[Back, H. O.; Brodsky, J.; Calaprice, F.; Cao, H.; Condon, C.; Di Eusanio, F.; Galbiati, C.; Goretti, A.; Ianni, An.; Koh, G.; Meyers, P. D.; Mosteiro, P.; Nelson, A.; Parsells, B.; Qian, H.; Rossi, B.; Sands, W.; Shields, E.; Wada, M.; Westerdale, S.; Xu, J.] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA.
[Baldin, B.; Biery, K.; Guardincerri, Y.; Herner, K.; Kendziora, C.; Montanari, D.; Pordes, S.; Yoo, J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
[Bonfini, G.; Candela, A.; Cavalcante, P.; D'Incecco, M.; De Deo, M.; Gabriele, F.; Ianni, Al.; Montuschi, M.; Odrowski, S.; Orsini, M.; Razeto, A.; Rossi, N.; Segreto, E.; Tartaglia, R.] Lab Nazl Gran Sasso, I-67010 Assergi, Italy.
[Bossa, M.] Gran Sasso Sci Inst, I-67100 Laquila, Italy.
[Brigatti, A.; Crippa, L.; D'Angelo, D.; Lombardi, P.; Ludhova, L.; Meroni, E.; Parmeggiano, S.; Ranucci, G.; Saggese, P.] Univ Milan, Dept Phys, I-20133 Milan, Italy.
[Brigatti, A.; Crippa, L.; D'Angelo, D.; Lombardi, P.; Ludhova, L.; Meroni, E.; Parmeggiano, S.; Ranucci, G.; Saggese, P.] Ist Nazl Fis Nucl, I-20133 Milan, Italy.
[Budano, F.; Mandarano, A.; Mari, S. M.; Marini, L.] Univ Rome Tre, Dept Phys, I-00146 Rome, Italy.
[Budano, F.; Mandarano, A.; Mari, S. M.; Marini, L.] Ist Nazl Fis Nucl, I-00146 Rome, Italy.
[Cadonati, L.; Forster, G.; Kurlej, A.; Pocar, A.; Randle, K.] Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA.
[Cadoni, M.; Devoto, A.; Lissia, M.] Univ Cagliari, Dept Phys, I-09042 Cagliari, Italy.
[Cadoni, M.; Devoto, A.; Lissia, M.] Ist Nazl Fis Nucl, I-09042 Cagliari, Italy.
[Cariello, M.; Musico, P.; Pagani, L.; Pallavicini, M.; Perasso, L.; Testera, G.; Zavatarelli, S.] Univ Genoa, Dept Phys, I-16146 Genoa, Italy.
[Cariello, M.; Musico, P.; Pagani, L.; Pallavicini, M.; Perasso, L.; Testera, G.; Zavatarelli, S.] Ist Nazl Fis Nucl, I-16146 Genoa, Italy.
[Chepurnov, A.; Gromov, M.; Lukyachenko, G.] Moscow MV Lomonosov State Univ, Skobeltsyn Inst Nucl Phys, Moscow 119991, Russia.
[Cocco, A. G.; Fiorillo, G.; Rossi, B.; Walker, S. E.] Univ Naples Federico II, Dept Phys, I-80126 Naples, Italy.
[Cocco, A. G.; Fiorillo, G.; Rossi, B.; Walker, S. E.] Ist Nazl Fis Nucl, I-80126 Naples, Italy.
[Davini, S.; Empl, A.; Hungerford, E.; Korga, G.; Sablone, D.] Univ Houston, Dept Phys, Houston, TX 77204 USA.
[Derbin, A.; Muratova, V.; Semenov, D.; Unzhakov, E.] St Petersburg Nucl Phys Inst, Gatchina 188350, Russia.
[Edkins, E.; Hackett, B.; Maricic, J.; Milincic, R.; Reinhold, B.] Univ Hawaii, Dept Phys & Astron, Honolulu, HI 96822 USA.
[Fomenko, K.; Korablev, D.; Smirnov, O.; Sotnikov, A.] Joint Inst Nucl Res, Dubna 141980, Russia.
[Grandi, L.; Saldanha, R.] Univ Chicago, Enrico Fermi Inst, Kavli Inst, Chicago, IL 60637 USA.
[Grandi, L.; Saldanha, R.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA.
[Guan, M. Y.; Li, P. X.; Ma, Y. Q.; Wang, Y.; Yang, C. G.; Zhong, W. L.] Inst High Energy Phys, Beijing 100049, Peoples R China.
[Jaffe, D. E.; Yu, B.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Jollet, C.; Meregaglia, A.] Univ Strasbourg, CNRS, IN2P3, IPHC, F-67037 Strasbourg, France.
[Keeter, K.; Mount, B.] Black Hills State Univ, Sch Nat Sci, Spearfish, SD 57799 USA.
[Kidner, S.; Rountree, S. D.; Vogelaar, R. B.] Virginia Tech, Dept Phys, Blacksburg, VA 24061 USA.
[Kobychev, V.] Natl Acad Sci Ukraine, Inst Nucl Res, UA-03680 Kiev, Ukraine.
[Luitz, S.; Monzani, M. E.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
[Machulin, I.; Markov, D.; Pugachev, D.; Skorokhvatov, M.] Natl Res Ctr, Kurchatov Inst, Moscow 123182, Russia.
[Martoff, J.; Miletic, T.; Recine, K.; Tatarowicz, J.; Watson, A. W.] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA.
[Odrzywolek, A.; Pelczar, K.; Wojcik, M.; Zuzel, G.] Jagiellonian Univ, Smoluchowski Inst Phys, PL-30059 Krakow, Poland.
[Ortica, F.; Pelliccia, N.; Romani, A.] Univ Perugia, Dept Chem Biol & Biotechnol, I-06123 Perugia, Italy.
[Ortica, F.; Pelliccia, N.; Romani, A.] Ist Nazl Fis Nucl, I-06123 Perugia, Italy.
[Pantic, E.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA.
[Sangiorgio, S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Fiorillo, G (reprint author), Univ Naples Federico II, Dept Phys, I-80126 Naples, Italy.
EM giuliana.fiorillo@na.infn.it
RI Yoo, Jonghee/K-8394-2016; Ortica, Fausto/C-1001-2013; Kobychev,
Vladislav/B-3322-2008; DAngelo, Davide/K-9164-2013; Fiorillo,
Giuliana/A-2248-2012; Romani, Aldo/G-8103-2012; Machulin,
Igor/R-9711-2016; Skorokhvatov, Mikhail/R-9735-2016; Inst. of Physics,
Gleb Wataghin/A-9780-2017; Razeto, Alessandro/J-3320-2015; Pallavicini,
Marco/G-5500-2012; Humble, Paul/E-4766-2015; Humble, Paul/K-1961-2012;
Orrell, John/E-9313-2015; Canci, Nicola/E-7498-2017; Ranucci,
Gioacchino/O-2200-2015;
OI Ortica, Fausto/0000-0001-8276-452X; Kobychev,
Vladislav/0000-0003-0030-7451; DAngelo, Davide/0000-0001-9857-8107;
Fiorillo, Giuliana/0000-0002-6916-6776; Romani,
Aldo/0000-0002-7338-0097; Razeto, Alessandro/0000-0002-0578-097X;
Pallavicini, Marco/0000-0001-7309-3023; Humble,
Paul/0000-0002-2632-6557; Franco, Davide/0000-0001-5604-2531; Xu,
Jingke/0000-0001-8084-5609; Unzhakov, Evgeniy/0000-0003-2952-6412;
Westerdale, Shawn/0000-0001-8824-6205; Rossi,
Nicola/0000-0002-7046-528X; Wang, Yi/0000-0002-7351-6978; Orrell,
John/0000-0001-7968-4051; Canci, Nicola/0000-0002-4797-4297; Cadoni,
Mariano/0000-0001-5595-7537; Rossi, Biagio/0000-0002-0807-8772; Devoto,
Alberto/0000-0002-2263-734X; Ranucci, Gioacchino/0000-0002-3591-8191;
Derbin, Alexander/0000-0002-4351-2255; Zhong, Weili/0000-0002-4566-5490
NR 38
TC 3
Z9 3
U1 6
U2 32
PU HINDAWI PUBLISHING CORP
PI NEW YORK
PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA
SN 1687-7357
EI 1687-7365
J9 ADV HIGH ENERGY PHYS
JI Adv. High. Energy Phys.
PY 2015
AR 541362
DI 10.1155/2015/541362
PG 8
WC Physics, Particles & Fields
SC Physics
GA CG2VL
UT WOS:000353133400001
ER
PT J
AU Davies, CW
Stjepanovic, G
Hurley, JH
AF Davies, Christopher W.
Stjepanovic, Goran
Hurley, James H.
TI How the Atg1 complex assembles to initiate autophagy
SO AUTOPHAGY
LA English
DT Editorial Material
DE analytical ultracentrifugation; Atg13; Atg17; EAT domain;
hydrogen-deuterium exchange mass spectrometry
C1 [Davies, Christopher W.; Stjepanovic, Goran; Hurley, James H.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA.
[Davies, Christopher W.; Stjepanovic, Goran; Hurley, James H.] Univ Calif Berkeley, Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA.
[Hurley, James H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
RP Hurley, JH (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA.
EM jimhurley@berkeley.edu
RI Stjepanovic, Goran/A-7902-2010
OI Stjepanovic, Goran/0000-0002-4841-9949
FU NIGMS NIH HHS [GM111730, F32 GM112301, GM112301, R01 GM111730]
NR 0
TC 0
Z9 0
U1 0
U2 1
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 1554-8627
EI 1554-8635
J9 AUTOPHAGY
JI Autophagy
PD JAN
PY 2015
VL 11
IS 1
BP 185
EP 186
DI 10.4161/15548627.2014.984281
PG 2
WC Cell Biology
SC Cell Biology
GA CF7ZA
UT WOS:000352773700015
PM 25700739
ER
PT J
AU Porosoff, MD
Kattel, S
Li, WH
Liu, P
Chen, JG
AF Porosoff, Marc D.
Kattel, Shyam
Li, Wenhui
Liu, Ping
Chen, Jingguang G.
TI Identifying trends and descriptors for selective CO2 conversion to CO
over transition metal carbides
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID MOLYBDENUM CARBIDE; TUNGSTEN CARBIDE; CATALYSTS; HYDROGENATION; GAS;
METHANE; ADSORPTION; SURFACES; ACTIVATION; REDUCTION
AB Catalytic reduction of CO2 requires active, selective and low-cost catalysts. Results of this study show that transition metal carbides are a class of promising catalysts and their activity is correlated with oxygen binding energy and reducibility as shown by DFT calculations and in situ measurements.
C1 [Porosoff, Marc D.; Li, Wenhui; Chen, Jingguang G.] Columbia Univ, Dept Chem Engn, New York, NY 10027 USA.
[Kattel, Shyam; Liu, Ping; Chen, Jingguang G.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Chen, JG (reprint author), Columbia Univ, Dept Chem Engn, 500 W 120th St, New York, NY 10027 USA.
EM jgchen@columbia.edu
RI Porosoff, Marc/N-2816-2015
FU U.S. Department of Energy, Office of Basic Energy Sciences
[DE-AC02-98CH10886]; US Department of Energy; National Energy Research
Scientific Computing Center (NERSC) - Office of Science of the U.S.
Department of Energy [DE-AC02-05CH11231]
FX The work was carried out under Contract No. DE-AC02-98CH10886 with the
U.S. Department of Energy, Office of Basic Energy Sciences. The DFT
calculations were performed using computational resources at the Center
for Functional Nanomaterials, BNL, supported by US Department of Energy
and the National Energy Research Scientific Computing Center (NERSC)
supported by the Office of Science of the U.S. Department of Energy
under Contract No. DE-AC02-05CH11231.
NR 28
TC 11
Z9 12
U1 17
U2 103
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 2015
VL 51
IS 32
BP 6988
EP 6991
DI 10.1039/c5cc01545f
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA CF5XM
UT WOS:000352630600024
PM 25799361
ER
PT J
AU Trebotich, D
Graves, DT
AF Trebotich, David
Graves, Daniel T.
TI AN ADAPTIVE FINITE VOLUME METHOD FOR THE INCOMPRESSIBLE NAVIER-STOKES
EQUATIONS IN COMPLEX GEOMETRIES
SO COMMUNICATIONS IN APPLIED MATHEMATICS AND COMPUTATIONAL SCIENCE
LA English
DT Article
DE incompressible Navier-Stokes; embedded boundary method; finite volume
method; cut cell method; projection method; adaptive mesh refinement
ID EMBEDDED BOUNDARY METHOD; HYPERBOLIC CONSERVATION-LAWS; CARTESIAN GRID
METHOD; PROJECTION METHOD; EULER EQUATIONS; CYLINDER WAKE; IRREGULAR
DOMAINS; MESH REFINEMENT; HEAT-EQUATION; VISCOUS-FLOW
AB We present an adaptive, finite volume algorithm to solve the incompressible Navier-Stokes equations in complex geometries. The algorithm is based on the embedded boundary method, in which finite volume approximations are used to discretize the solution in cut cells that result from intersecting the irregular boundary with a structured Cartesian grid. This approach is conservative and reduces to a standard finite difference method in grid cells away from the boundary. We solve the incompressible flow equations using a predictor-corrector formulation. Hyperbolic advection terms are obtained by higher-order upwinding without the use of extrapolated data in covered cells. The small-cell stability problem associated with explicit embedded boundary methods for hyperbolic systems is avoided by the use of a volume-weighted scheme in the advection step and is consistent with construction of the right-hand side of the elliptic solvers. The Helmholtz equations resulting from viscous source terms are advanced in time by the Crank-Nicolson method, which reduces solver runtime compared to other second-order time integrators by a half. Incompressibility is enforced by a second-order approximate projection method that makes use of a new conservative cell-centered gradient in cut cells that is consistent with the volume-weighted scheme. The algorithm is also capable of block structured adaptive mesh refinement to increase spatial resolution dynamically in regions of interest. The resulting overall method is second-order accurate for sufficiently smooth problems. In addition, the algorithm is implemented in a high-performance computing framework and can perform structured-grid fluid dynamics calculations at unprecedented scale and resolution, up to 262,144 processor cores. We demonstrate robustness and performance of the algorithm by simulating incompressible flow for a wide range of Reynolds numbers in two and three dimensions: Stokes and low Reynolds number flows in both constructed and image data geometries (Re << 1 to Re = 1), flow past a cylinder (Re = 300), flow past a sphere (Re = 600) and turbulent flow in a contraction (Re = 6300).
C1 [Trebotich, David; Graves, Daniel T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
RP Trebotich, D (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM dptrebotich@lbl.gov; dtgraves@lbl.gov
FU U.S. Department of Energy, Office of Science, Office of Advanced
Scientific Computing Research; Office of Basic Energy Sciences Energy
Frontier Research Centers; National Energy Research Scientific Computing
Center [DE-AC02-05CH11231]; Oak Ridge Leadership Computing Facility;
Office of Science of the DOE [DE-AC05-00OR22725, DE-AC02-06CH11357];
Argonne National Laboratory; Office of Science, Office of Basic Energy
Sciences, of the DOE [DE-AC02-05CH11231]
FX This material is based upon work supported by the U.S. Department of
Energy, Office of Science, Office of Advanced Scientific Computing
Research and in part by the Office of Basic Energy Sciences Energy
Frontier Research Centers and used resources of the National Energy
Research Scientific Computing Center all under contract number
DE-AC02-05CH11231. This research used resources of the Oak Ridge
Leadership Computing Facility, which is a DOE Office of Science User
Facility supported by the Office of Science of the DOE under contract
number DE-AC05-00OR22725. This research used resources of the Argonne
Leadership Computing Facility at Argonne National Laboratory, which is
supported by the Office of Science of the DOE under contract
DE-AC02-06CH11357. Simulation data in Figure 12 is based upon
synchrotron microtomography imagery acquired by Jonathan Ajo-Franklin
and Marco Voltolini at the Advanced Light Source, Beamline 8.3.2, which
is supported by the Office of Science, Office of Basic Energy Sciences,
of the DOE under contract DE-AC02-05CH11231. Simulation data in Figure
13 is based upon FIB-SEM imagery obtained by Lisa Chan at Tescan USA and
processed by Terry Ligocki (LBNL), courtesy of Tim Kneafsey (LBNL).
NR 59
TC 7
Z9 7
U1 2
U2 15
PU MATHEMATICAL SCIENCE PUBL
PI BERKELEY
PA UNIV CALIFORNIA, DEPT MATHEMATICS, BERKELEY, CA 94720-3840 USA
SN 1559-3940
EI 2157-5452
J9 COMM APP MATH COM SC
JI Commun. Appl. Math. Comput. Sci.
PY 2015
VL 10
IS 1
BP 43
EP 82
DI 10.2140/camcos.2015.10.43
PG 40
WC Mathematics, Applied; Physics, Mathematical
SC Mathematics; Physics
GA CG0TG
UT WOS:000352982000003
ER
PT J
AU Schwartz, P
Percelay, J
Ligocki, TJ
Johansen, H
Graves, DT
Devendran, D
Colella, P
Ateljevich, E
AF Schwartz, Peter
Percelay, Julie
Ligocki, Terry J.
Johansen, Hans
Graves, Daniel T.
Devendran, Dharshi
Colella, Phillip
Ateljevich, Eli
TI HIGH-ACCURACY EMBEDDED BOUNDARY GRID GENERATION USING THE DIVERGENCE
THEOREM
SO COMMUNICATIONS IN APPLIED MATHEMATICS AND COMPUTATIONAL SCIENCE
LA English
DT Article
DE Cartesian grid embedded boundaries; grid generation; finite volume
methods
ID NAVIER-STOKES EQUATIONS; POISSONS-EQUATION; DIMENSIONS; MOMENTS; FLOW;
3D
AB We present an algorithm to produce the necessary geometric information for finite volume calculations in the context of Cartesian grids with embedded boundaries. Given an order of accuracy for the overall calculation, we show what accuracy is required for each of the geometric quantities and we demonstrate how to calculate the moments using the divergence theorem. We demonstrate that, for a known flux, these moments can be used to create a flux divergence of the expected order.
C1 [Schwartz, Peter; Ligocki, Terry J.; Johansen, Hans; Graves, Daniel T.; Devendran, Dharshi; Colella, Phillip] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Appl Numer Algorithms Grp, Berkeley, CA 94720 USA.
[Percelay, Julie] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Ateljevich, Eli] Calif Dept Water Resources, Sacramento, CA 95821 USA.
RP Schwartz, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Appl Numer Algorithms Grp, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM poschwartz@lbl.gov; julie.percelay@gmail.com; tjligocki@lbl.gov;
hjohansen@lbl.gov; dtgraves@lbl.gov; pdevendran@lbl.gov;
pcolella@lbl.gov; eli.ateljevich@water.ca.gov
FU Office of Advanced Scientific Computing Research of the US Department of
Energy [DE-AC02-05CH11231]
FX Research at LBNL was supported financially by the Office of Advanced
Scientific Computing Research of the US Department of Energy under
contract number DE-AC02-05CH11231. All work was done using the Chombo
software infrastructure developed by LBNL [4; 5].
NR 19
TC 1
Z9 1
U1 1
U2 3
PU MATHEMATICAL SCIENCE PUBL
PI BERKELEY
PA UNIV CALIFORNIA, DEPT MATHEMATICS, BERKELEY, CA 94720-3840 USA
SN 1559-3940
EI 2157-5452
J9 COMM APP MATH COM SC
JI Commun. Appl. Math. Comput. Sci.
PY 2015
VL 10
IS 1
BP 83
EP 96
DI 10.2140/camcos.2015.10.83
PG 14
WC Mathematics, Applied; Physics, Mathematical
SC Mathematics; Physics
GA CG0TG
UT WOS:000352982000004
ER
PT J
AU Azarbad, H
Niklinska, M
Laskowski, R
van Straalen, NM
van Gestel, CAM
Zhou, JZ
He, ZL
Wen, CQ
Roling, WFM
AF Azarbad, Hamed
Niklinska, Maria
Laskowski, Ryszard
van Straalen, Nico M.
van Gestel, Cornelis A. M.
Zhou, Jizhong
He, Zhili
Wen, Chongqing
Roeling, Wilfred F. M.
TI Microbial community composition and functions are resilient to metal
pollution along two forest soil gradients
SO FEMS MICROBIOLOGY ECOLOGY
LA English
DT Article
DE Illumina sequencing; GeoChip; metal pollution; soil microbial
communities
ID HEAVY-METALS; BACTERIAL COMMUNITIES; DIVERSITY; MICROARRAY;
CONTAMINATION; BIODIVERSITY; RESISTANCE; SEDIMENTS; GEOCHIP; LITTER
AB Despite the global importance of forests, it is virtually unknown how their soil microbial communities adapt at the phylogenetic and functional level to long-term metal pollution. Studying 12 sites located along two distinct gradients of metal pollution in Southern Poland revealed that functional potential and diversity (assessed using GeoChip 4.2) were highly similar across the gradients despite drastically diverging metal contamination levels. Metal pollution level did, however, significantly impact bacterial community structure (as shown by MiSeq Illumina sequencing of 16S rRNA genes), but not bacterial taxon richness and community composition. Metal pollution caused changes in the relative abundance of specific bacterial taxa, including Acidobacteria, Actinobacteria, Bacteroidetes, Chloroflexi, Firmicutes, Planctomycetes and Proteobacteria. Also, a group of metal-resistance genes showed significant correlations with metal concentrations in soil. Our study showed that microbial communities are resilient to metal pollution; despite differences in community structure, no clear impact of metal pollution levels on overall functional diversity was observed. While screens of phylogenetic marker genes, such as 16S rRNA genes, provide only limited insight into resilience mechanisms, analysis of specific functional genes, e.g. involved in metal resistance, appears to be a more promising strategy.
C1 [Azarbad, Hamed; Niklinska, Maria; Laskowski, Ryszard] Jagiellonian Univ, Inst Environm Sci, PL-30387 Krakow, Poland.
[van Straalen, Nico M.; van Gestel, Cornelis A. M.] Vrije Univ Amsterdam, Fac Earth & Life Sci, Dept Ecol Sci, NL-1081 HV Amsterdam, Netherlands.
[Zhou, Jizhong; He, Zhili; Wen, Chongqing] Univ Oklahoma, Inst Environm Genom, Norman, OK 73072 USA.
[Zhou, Jizhong; He, Zhili; Wen, Chongqing] Univ Oklahoma, Dept Microbiol, Norman, OK 73072 USA.
[Zhou, Jizhong; He, Zhili; Wen, Chongqing] Univ Oklahoma, Dept Plant Biol, Norman, OK 73072 USA.
[Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Zhou, Jizhong] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China.
[Roeling, Wilfred F. M.] Vrije Univ Amsterdam, Dept Mol Cell Physiol, Fac Earth & Life Sci, NL-1081 HV Amsterdam, Netherlands.
RP Azarbad, H (reprint author), Jagiellonian Univ, Inst Environm Sci, Gronostajowa 7, PL-30387 Krakow, Poland.
EM Hamed.Azarbad@uj.edu.pl
RI Laskowski, Ryszard/A-2680-2009;
OI Laskowski, Ryszard/0000-0002-1968-3230; van Gestel,
Kees/0000-0002-5651-0208
FU 'Environmental stress, population viability and adaptation' project
[MPD/2009-3/5]; Institute of Environmental Sciences, Jagiellonian
University [DS759]
FX This study was performed within the 'Environmental stress, population
viability and adaptation' project (No. MPD/2009-3/5) and supported by
the DS759 of the Institute of Environmental Sciences, Jagiellonian
University.
NR 50
TC 13
Z9 14
U1 19
U2 99
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0168-6496
EI 1574-6941
J9 FEMS MICROBIOL ECOL
JI FEMS Microbiol. Ecol.
PD JAN
PY 2015
VL 91
IS 1
DI 10.1093/femsec/fiu003
PG 11
WC Microbiology
SC Microbiology
GA CF8BT
UT WOS:000352781000002
PM 25764529
ER
PT J
AU Mahmoudi, N
Robeson, MS
Castro, HF
Fortney, JL
Techtmann, SM
Joyner, DC
Paradis, CJ
Pfiffner, SM
Hazen, TC
AF Mahmoudi, Nagissa
Robeson, Michael S., II
Castro, Hector F.
Fortney, Julian L.
Techtmann, Stephen M.
Joyner, Dominique C.
Paradis, Charles J.
Pfiffner, Susan M.
Hazen, Terry C.
TI Microbial community composition and diversity in Caspian Sea sediments
SO FEMS MICROBIOLOGY ECOLOGY
LA English
DT Article
DE Caspian Sea; marine sediments; bacteria; archaea; Illumina; PLFA
ID DEEP MARINE-SEDIMENTS; CONTINENTAL-MARGIN SEDIMENTS; AMMONIA-OXIDIZING
ARCHAEA; SULFATE-REDUCING BACTERIA; METHANE TRANSITION ZONE;
OIL-DEGRADING BACTERIA; EAST CHINA SEA; SUBSEAFLOOR SEDIMENTS; BENTHIC
MACROFAUNA; ORGANIC-MATTER
AB The Caspian Sea is heavily polluted due to industrial and agricultural effluents as well as extraction of oil and gas reserves. Microbial communities can influence the fate of contaminants and nutrients. However, insight into the microbial ecology of the Caspian Sea significantly lags behind other marine systems. Here we describe microbial biomass, diversity and composition in sediments collected from three sampling stations in the Caspian Sea. Illumina sequencing of 16S rRNA genes revealed the presence of a number of known bacterial and archaeal heterotrophs suggesting that organic carbon is a primary factor shaping microbial communities. Surface sediments collected from bottom waters with low oxygen levels were dominated by Gammaproteobacteria while surface sediments collected from bottom waters under hypoxic conditions were dominated by Deltaproteobacteria, specifically sulfate-reducing bacteria. Thaumarchaeota was dominant across all surface sediments indicating that nitrogen cycling in this system is strongly influenced by ammonia-oxidizing archaea. This study provides a baseline assessment that may serve as a point of reference as this system changes or as the efficacy of new remediation efforts are implemented.
C1 [Mahmoudi, Nagissa; Fortney, Julian L.; Techtmann, Stephen M.; Joyner, Dominique C.; Hazen, Terry C.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA.
[Robeson, Michael S., II; Hazen, Terry C.] Oak Ridge Natl Lab, BioSci Div, Oak Ridge, TN 37831 USA.
[Castro, Hector F.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Mahmoudi, Nagissa; Fortney, Julian L.; Techtmann, Stephen M.; Joyner, Dominique C.; Pfiffner, Susan M.; Hazen, Terry C.] Univ Tennessee, Ctr Environm Biotechnol, Knoxville, TN 37996 USA.
[Paradis, Charles J.; Hazen, Terry C.] Univ Tennessee, Dept Earth & Planetary Sci, Knoxville, TN 37996 USA.
[Hazen, Terry C.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA.
RP Mahmoudi, N (reprint author), Univ Tennessee, Dept Civil & Environm Engn, 1414 Circle Dr, Knoxville, TN 37996 USA.
EM nagissa.m@gmail.com
RI Hazen, Terry/C-1076-2012;
OI Hazen, Terry/0000-0002-2536-9993; Robeson, Michael/0000-0001-7119-6301
FU University of Tennessee [A13-0119-001]; BP America [A13-0119-001]
FX This research was supported by contract A13-0119-001 Deep Sea Basin
Microbiology between the University of Tennessee and BP America.
NR 89
TC 5
Z9 5
U1 8
U2 52
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0168-6496
EI 1574-6941
J9 FEMS MICROBIOL ECOL
JI FEMS Microbiol. Ecol.
PD JAN
PY 2015
VL 91
IS 1
DI 10.1093/femsec/fiu013
PG 11
WC Microbiology
SC Microbiology
GA CF8BT
UT WOS:000352781000009
ER
PT J
AU Chen, B
Shi, J
Zheng, XJ
Zhou, Y
Zhu, K
Priya, S
AF Chen, Bo
Shi, Jian
Zheng, Xiaojia
Zhou, Yuan
Zhu, Kai
Priya, Shashank
TI Ferroelectric solar cells based on inorganic-organic hybrid perovskites
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID ORGANOMETAL HALIDE PEROVSKITES; HIGH-EFFICIENCY; PHOTOVOLTAIC DEVICES;
IODIDE PEROVSKITES; CHARGE SEPARATION; THIN-FILMS; BAND-GAP; BIFEO3;
ELECTRON; ENHANCEMENT
AB Ferroelectric solar cells based on ferroelectric oxides have attracted significant attention owing to many unique advantages, such as the switchable photocurrent and photovoltage, and the above bandgap open circuit voltages. However, the small photocurrent densities of the typical ferroelectric solar cells greatly limit their photovoltaic performance. In this report, we experimentally revealed the polarization switching properties of inorganic-organic hybrid perovskites and developed ferroelectric solar cells based on the hybrid perovskites. Hybrid perovskite methylammonium lead trihalide (MAPbX(3)) thin films exhibited 180 degrees domain phase switching and polarization hysteresis loops. Ferroelectric solar cells based on the mixed halide MAPbI(3-x)Cl(x) thin film demonstrate a power conversion efficiency of 6.7% and the ferroelectric solar cells display switchable photovoltaic effects. This work provides an alternative but exhilarating solution for high-performance ferroelectric solar cells beyond inorganic ferroelectric oxides.
C1 [Chen, Bo; Zheng, Xiaojia; Zhou, Yuan; Priya, Shashank] Virginia Tech, Ctr Energy Harvesting Mat & Syst, Blacksburg, VA 24061 USA.
[Shi, Jian] Rensselaer Polytech Inst, Dept Mat Sci & Engn, Troy, NY 12180 USA.
[Zhu, Kai] Natl Renewable Energy Lab, Chem & Nanosci Ctr, Golden, CO 80401 USA.
RP Chen, B (reprint author), Virginia Tech, Ctr Energy Harvesting Mat & Syst, Blacksburg, VA 24061 USA.
EM bochen09@vt.edu; xiaojia@vt.edu; spriya@vt.edu
OI Zheng, Xiaojia/0000-0002-3963-4073
FU US Army [W15P7T-13-C-A910]; U.S. Department of Energy
[DE-AC36-08-GO28308]; U.S. Department of Energy (DOE) SunShot Initiative
under the Next Generation Photovoltaics 3 program [DE-FOA-0000990]
FX The authors gratefully acknowledge the financial support through US Army
under contract no. W15P7T-13-C-A910. The work at the National Renewable
Energy Laboratory was supported by the U.S. Department of Energy under
Contract no. DE-AC36-08-GO28308. K.Z. acknowledges the support by the
U.S. Department of Energy (DOE) SunShot Initiative under the Next
Generation Photovoltaics 3 program (DE-FOA-0000990).
NR 64
TC 30
Z9 30
U1 13
U2 123
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 2015
VL 3
IS 15
BP 7699
EP 7705
DI 10.1039/c5ta01325a
PG 7
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CF3IF
UT WOS:000352441100003
ER
PT J
AU Wu, M
Wang, J
Wu, ZX
Xin, HLL
Wang, DL
AF Wu, Min
Wang, Jie
Wu, Zexing
Xin, Huolin L.
Wang, Deli
TI Synergistic enhancement of nitrogen and sulfur co-doped graphene with
carbon nanosphere insertion for the electrocatalytic oxygen reduction
reaction
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID METAL-FREE ELECTROCATALYSTS; ALKALINE-MEDIUM; NANOTUBES; CATALYST;
BORON; OXIDE; MEDIA; PERFORMANCE
AB A carbon black incorporated nitrogen and sulfur co-doped graphene (NSGCB) nanocomposite has been synthesized through one-pot annealing of a precursor mixture containing graphene oxide, thiourea, and acidized carbon black (CB). The NSGCB shows excellent performance for the oxygen reduction reaction (ORR) with the onset and half-wave potentials at 0.96 V and 0.81 V (vs. RHE), respectively, which are significantly higher compared to those of the catalysts derived from only graphene (0.90 V and 0.76 V) or carbon nanospheres (0.82 V and 0.74 V). The enhanced catalytic activity of the NSGCB electrode could be attributed to the synergistic effect of N/S co-doping and the enlarged interlayer space resulted from the insertion of carbon nanospheres into the graphene sheets. The four-electron selectivity and the limiting current density of the NSGCB nanocomposite are comparable to those of the commercial Pt/C catalyst. Furthermore, the NSGCB nanocomposite is superior to Pt/C in terms of long-term durability and tolerance to methanol poisoning.
C1 [Wu, Min; Wang, Jie; Wu, Zexing; Wang, Deli] Huazhong Univ Sci & Technol, Key Lab Large Format Battery Mat & Syst, Minist Educ, Sch Chem & Chem Engn, Wuhan 430074, Peoples R China.
[Xin, Huolin L.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Xin, Huolin L.] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA.
RP Wang, DL (reprint author), Huazhong Univ Sci & Technol, Key Lab Large Format Battery Mat & Syst, Minist Educ, Sch Chem & Chem Engn, Wuhan 430074, Peoples R China.
EM wangdl81125@hust.edu.cn
RI Wang, Deli/K-5029-2012; Wang, Jie/H-3638-2015; Xin, Huolin/E-2747-2010
OI Wang, Jie/0000-0002-7188-3053; Xin, Huolin/0000-0002-6521-868X
FU National Science Foundation of China [21306060]; Program for New Century
Excellent Talents in Universities of China [NCET-13-0237]; Doctoral Fund
of Ministry of Education of China [20130142120039]; Fundamental Research
Funds for the Central University [2013TS136, 2014YQ009]; U.S. Department
of Energy, Office of Basic Energy Sciences [DE-SC0012704]
FX This work was supported by the National Science Foundation of China
(21306060), the Program for New Century Excellent Talents in
Universities of China (NCET-13-0237), the Doctoral Fund of Ministry of
Education of China (20130142120039), the Fundamental Research Funds for
the Central University (2013TS136, 2014YQ009). This research carried out
in part at the Center for Functional Nanomaterials, Brookhaven National
Laboratory, which is supported by the U.S. Department of Energy, Office
of Basic Energy Sciences, under Contract no. DE-SC0012704. We thank
Analytical and Testing Center of Huazhong University of Science&
Technology for allowing us to use its facilities.
NR 33
TC 9
Z9 10
U1 13
U2 77
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 2015
VL 3
IS 15
BP 7727
EP 7731
DI 10.1039/c4ta06323f
PG 5
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CF3IF
UT WOS:000352441100008
ER
PT J
AU Lee, K
Ruddy, DA
Dukovic, G
Neale, NR
AF Lee, Kyureon
Ruddy, Daniel A.
Dukovic, Gordana
Neale, Nathan R.
TI Synthesis, optical, and photocatalytic properties of cobalt mixed-metal
spinel oxides Co(Al1-xGax)(2)O-4
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID SOL-GEL SYNTHESIS; ZERO CHARGE; HYDROGEN-PRODUCTION; QUANTUM DOTS;
WATER; PHOTOELECTROLYSIS; NANOCRYSTALS; PHOTOANODES; PRECURSORS; POINTS
AB Cobalt mixed-metal spinel oxides, Co(Al1-xGax)(2)O-4, have been predicted to exhibit promising properties as photocatalysts for solar energy conversion. In this work, Co(Al1-xGax)(2)O-4 were synthesized with a range of 0 <= x <= 1 via both single-source and multi-source routes. Single-source molecular precursors, [Co{M((OBu)-Bu-t)(4)}(2)] (M = Al or Ga), were decomposed at 300 degrees C to form amorphous oxides. Multi-source precursors, stoichiometric mixtures of metal acetylacetonate (acac) complexes, were used to form nanocrystalline spinel materials. Both were subsequently converted to bulk spinel products by annealing at 1000 degrees C. The properties of materials fabricated from the single-source and multi-source synthetic routes were compared by analysing data from X-ray diffraction, scanning electron microscopy, transmission electron microscopy, UV-vis spectrophotometry, inductively coupled plasma-optical emission spectroscopy, and gas sorption measurements. The X-ray diffraction data of the materials showed ideal solid solution behavior that followed Vegard's law for both routes, with the multi-source route giving more crystalline bulk material than the single-source route. UV-vis absorbance data revealed that the absorption onset energies of Co(Al1-xGax)(2)O-4 decreased monotonically with increasing x (from 1.84 eV for x = 0 to 1.76 eV for x = 1 from the single-source method; 1.75 eV for x = 0 to 1.70 eV for x = 1 from the multi-source method). The photocatalytic activities of the spinel oxides were evaluated via the photodegradation of methyl orange and phenol, which showed that the photoactivity of Co(Al0.5Ga0.5)(2)O-4 was dependent on both pH and substrate. Remarkably, under appropriate substrate binding conditions (pH 3 with methyl orange), low energy (<2.5 eV) ligand-field transitions contributed between 46 and 72% of the photoactivity of Co(Al0.5Ga0.5)(2)O-4 prepared from the multi-source route.
C1 [Lee, Kyureon; Dukovic, Gordana] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
[Ruddy, Daniel A.; Neale, Nathan R.] Natl Renewable Energy Lab, Chem & Nanosci Ctr, Golden, CO 80401 USA.
RP Dukovic, G (reprint author), Univ Colorado, Dept Chem & Biochem, Campus Box 215, Boulder, CO 80309 USA.
EM Dan.Ruddy@nrel.gov; Gordana.Dukovic@colorado.edu; Nathan.Neale@nrel.gov
FU NREL's Laboratory Directed Research and Development (LDRD) program; U.S.
Department of Energy, Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences
[DE-AC36-08GO28308]
FX Molecular and material synthesis and characterization was funded by
NREL's Laboratory Directed Research and Development (LDRD) program.
Photocatalytic experimental design and data interpretation was supported
by the U.S. Department of Energy, Office of Science, Office of Basic
Energy Sciences, Division of Chemical Sciences, Geosciences, and
Biosciences through Contract no. DE-AC36-08GO28308 to NREL.
NR 38
TC 7
Z9 7
U1 2
U2 14
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 2015
VL 3
IS 15
BP 8115
EP 8122
DI 10.1039/c4ta06690a
PG 8
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CF3IF
UT WOS:000352441100055
ER
PT J
AU Zhou, YY
Yang, MJ
Wu, WW
Vasiliev, AL
Zhu, K
Padture, NP
AF Zhou, Yuanyuan
Yang, Mengjin
Wu, Wenwen
Vasiliev, Alexander L.
Zhu, Kai
Padture, Nitin P.
TI Room-temperature crystallization of hybrid-perovskite thin films via
solvent-solvent extraction for high-performance solar cells
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID ORGANOMETAL HALIDE PEROVSKITES; PLANAR HETEROJUNCTION; HOLE-CONDUCTOR;
EFFICIENCY; IODIDE; DEPOSITION; EMERGENCE; LIGHT
AB The room-temperature solvent-solvent extraction (SSE) concept is used for the deposition of hybrid-perovskite thin films over large areas. In this simple process, perovskite precursor solution is spin-coated onto a substrate, and instead of the conventional thermal annealing treatment, the coated substrate is immediately immersed in a bath of another solvent at room temperature. This results in efficient extraction of the precursor-solvent and induces rapid crystallization of uniform, ultra-smooth perovskite thin films. The mechanisms involved in the SSE process are studied further, and its versatility in depositing high quality thin films of controlled thicknesses (20 to 700 nm) and various compositions (CH3NH3PbI(3-x)Brx; x = 0, 1, 2, or 3) is demonstrated. Planar perovskite solar cells (PSCs) based on SSE-deposited CH3NH3PbI3 perovskite thin films deliver power conversion efficiency (PCE) up to 15.2%, and most notably an average PCE of 10.1% for PSCs with sub-100 nm semi-transparent perovskite thin films. The SSE method has generic appeal, and its key attributes-room-temperature process, rapid crystallization, large-area uniform deposition, film-thickness control, ultra-smoothness, and compositional versatility-make the SSE method potentially suitable for roll-to-roll scalable processing of hybrid-perovskite thin films for future multifunctional PSCs.
C1 [Zhou, Yuanyuan; Wu, Wenwen; Vasiliev, Alexander L.; Padture, Nitin P.] Brown Univ, Sch Engn, Providence, RI 02912 USA.
[Yang, Mengjin; Zhu, Kai] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA.
RP Padture, NP (reprint author), Brown Univ, Sch Engn, Providence, RI 02912 USA.
EM kai.zhu@nrel.gov; nitin_padture@brown.edu
RI Zhou, Yuanyuan/G-2173-2011; Vasiliev, Alexander/E-9855-2014; Padture,
Nitin/A-9746-2009;
OI Zhou, Yuanyuan/0000-0002-8364-4295; Vasiliev,
Alexander/0000-0001-7884-4180; Padture, Nitin/0000-0001-6622-8559; Yang,
Mengjin/0000-0003-2019-4298
FU National Science Foundation [DMR-1305913]; Brown University Graduate
School; U.S. Department of Energy [DE-AC36-08-GO28308]; U.S. Department
of Energy (DOE) SunShot Initiative under the Next Generation
Photovoltaics 3 program [DE-FOA-0000990]
FX This work was supported by a grant from the National Science Foundation
(Grant no. DMR-1305913) and the Brown University Graduate School, and
the work at the National Renewable Energy Laboratory was supported by
the U.S. Department of Energy under Contract no. DE-AC36-08-GO28308.
M.Y. and K.Z. acknowledge the support by the U.S. Department of Energy
(DOE) SunShot Initiative under the Next Generation Photovoltaics 3
program (DE-FOA-0000990). We thank Dr H.F. Garces and Mr M. Strauss of
Brown University, and Dr C.-S. Jiang of NREL, for experimental
assistance. Disclosure: Y.Z. and N.P.P. have. led a provisional patent
based on this work with the US Patent and Trademark Office.
NR 31
TC 96
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U1 37
U2 175
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 2015
VL 3
IS 15
BP 8178
EP 8184
DI 10.1039/c5ta00477b
PG 7
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CF3IF
UT WOS:000352441100063
ER
PT J
AU Jia, Y
Sun, CH
Peng, Y
Fang, WQ
Yan, XC
Yang, DJ
Zou, J
Mao, SS
Yao, XD
AF Jia, Yi
Sun, Chenghua
Peng, Ye
Fang, Wenqi
Yan, Xuecheng
Yang, Dongjiang
Zou, Jin
Mao, Samuel S.
Yao, Xiangdong
TI Metallic Ni nanocatalyst in situ formed from a metal-organic-framework
by mechanochemical reaction for hydrogen storage in magnesium
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID PALLADIUM MEMBRANE; HYDRIDE; MGH2; DESTABILIZATION; SORPTION;
DECOMPOSITION; NANOPARTICLES; DESORPTION; MECHANISM; SYSTEMS
AB The facile and scalable fabrication of ultrafine (<5 nm) nanoparticles (NPs) as effective catalysts is the key for enhancing the kinetics of most hydrogen storage materials (HSMs). The direct fabrication of ultrafine NPs in HSMs is obviously a challenge because of the inevitable NPs agglomeration during the thermo-reduction. Herein, we report a mechanochemical-force-driven procedure for the one-step preparation of Ni NPs (2-3 nm) in a MgH2 matrix, which capitalizes on the in situ bottom-up reduction of Ni-MOF-74 in the presence of MgH2 as a reducing and sacrificing agent at room temperature. Both theoretical calculations and experimental investigations show that ultrafine Ni NPs are much more effective on catalytic hydrogenation/dehydrogenation in Mg due to the size effect. These findings may facilitate the fabrication of other catalyzed HSMs using different MOFs as catalyst precursors.
C1 [Jia, Yi; Yao, Xiangdong] Univ Queensland, Sch Engn, ARC Ctr Excellence Funct Nanomat, St Lucia, Qld 4072, Australia.
[Jia, Yi; Yao, Xiangdong] Univ Queensland, Australian Inst Bioengn & Nanotechnol, St Lucia, Qld 4072, Australia.
[Jia, Yi; Zou, Jin] Univ Queensland, Sch Mech & Min Engn, St Lucia, Qld 4072, Australia.
[Jia, Yi; Peng, Ye; Fang, Wenqi; Yan, Xuecheng; Yang, Dongjiang; Yao, Xiangdong] Griffith Univ, Queensland Micro & Nanotechnol Ctr QMNC, Nathan, Qld 4111, Australia.
[Sun, Chenghua] Monash Univ, Fac Sci, Sch Chem, Clayton, Vic 3800, Australia.
[Peng, Ye] Jilin Univ, State Key Lab Inorgan Synth & Preparat Chem, Changchun 130012, Peoples R China.
[Mao, Samuel S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Mech Engn, Environm Energy Technol Div, Berkeley, CA 94720 USA.
RP Yao, XD (reprint author), Univ Queensland, Sch Engn, ARC Ctr Excellence Funct Nanomat, St Lucia, Qld 4072, Australia.
EM x.yao@griffith.edu.au
RI Zou, Jin/B-3183-2009; Yao, Xiangdong/E-1259-2013; Griffith University,
QMNC/I-5498-2013
OI Zou, Jin/0000-0001-9435-8043;
FU Australia Research Council (ARC); Griffith University
FX The financial support from Australia Research Council (ARC) is
appreciated. Dr Yi Jia also thanks the Griffith University Post-doctoral
and Research Fellowship and Griffith University New Research Grant.
NR 37
TC 9
Z9 9
U1 11
U2 88
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 2015
VL 3
IS 16
BP 8294
EP 8299
DI 10.1039/c5ta00278h
PG 6
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CF3ZZ
UT WOS:000352489200011
ER
PT J
AU Soykal, II
Wang, H
Park, J
Li, AP
Liang, CD
Schwartz, V
AF Soykal, I. Ilgaz
Wang, Hui
Park, Jewook
Li, An-Ping
Liang, Chengdu
Schwartz, Viviane
TI Highly dispersed buckybowls as model carbocatalysts for C-H bond
activation
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID OXIDATIVE DEHYDROGENATION REACTIONS; CARBON CATALYSTS; HETEROGENEOUS
CATALYSIS; THERMAL-STABILITY; N-BUTANE; FULLERENE; ETHYLBENZENE; C-60;
ISOBUTANE; RAMAN
AB Fullerene-derived buckybowl fractions dispersed on mesoporous silica constitute an ideal model for studying the catalysis of graphitic forms of carbon since the dispersed carbon nanostructures contain a high ratio of edge defects and curvature induced by non-six-membered rings. Dispersion of the active centers on an easily accessible high surface area material allowed for high density of surface active sites associated with oxygenated structures. This report illustrates a facile method of creating model polycyclic aromatic nano-structures that are not only active for alkane C-H bond activation and oxidative dehydrogenation but also can be practical catalysts to be eventually used in industry.
C1 [Soykal, I. Ilgaz; Wang, Hui; Park, Jewook; Li, An-Ping; Liang, Chengdu; Schwartz, Viviane] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Schwartz, V (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
EM liangcn@ornl.gov; schwartzv@ornl.gov
RI Park, Jewook/N-2856-2015; Li, An-Ping/B-3191-2012
OI Li, An-Ping/0000-0003-4400-7493
FU Center for Nanophase Materials Sciences, at Oak Ridge National
Laboratory by the Scientific User Facilities Division, Office of Basic
Energy Sciences, U.S. Department of Energy
FX This research was supported by the Center for Nanophase Materials
Sciences, which is sponsored at Oak Ridge National Laboratory by the
Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy.
NR 39
TC 0
Z9 0
U1 4
U2 22
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 2015
VL 3
IS 16
BP 8667
EP 8675
DI 10.1039/c5ta00898k
PG 9
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CF3ZZ
UT WOS:000352489200032
ER
PT J
AU Engmann, S
Bokel, FA
Herzing, AA
Ro, HW
Girotto, C
Caputo, B
Hoven, CV
Schaible, E
Hexemer, A
DeLongchamp, DM
Richter, LJ
AF Engmann, Sebastian
Bokel, Felicia A.
Herzing, Andrew A.
Ro, Hyun Wook
Girotto, Claudio
Caputo, Bruno
Hoven, Corey V.
Schaible, Eric
Hexemer, Alexander
DeLongchamp, Dean M.
Richter, Lee J.
TI Real-time X-ray scattering studies of film evolution in high performing
small-molecule-fullerene organic solar cells
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID MORPHOLOGY CONTROL; BLEND FILMS; EFFICIENCY; ADDITIVES; DESIGN
AB We have studied the influence of the formulation additive 1,8-diiodooctane (DIO) on the structural evolution of bulk heterojunction (BHJ) films based the small molecule donor 7,7'-(4,4-bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b']dithiophene-2,6-diyl)bis(6-fluoro-5-(5'-hexyl-[2,2'-bithiophen]-5-yl)benzo[c][1,2,5]thiadiazole) (p-DTS(FBTTh2)(2)) and phenyl-C-71-butyric-acid-methyl ester ([70]PCBM). Real-time, in situ, grazing-incidence X-ray scattering experiments allow us to characterize the development of crystalline order via diffraction and phase separation via small angle scattering. The performance of p-DTS(FBTTh2)(2) based solar cells exhibits a distinct optimum with respect to volume fraction of DIO in the coating solution, unlike many polymer-fullerene systems that exhibit plateaus in performance above a certain additive volume fraction. Increasing the DIO volume fraction increases the crystallinity of p-DTS(FBTTh2)(2) and dramatically increases the phase separation length scale even at small DIO amounts. These results suggest that the existence of an optimal DIO amount is a consequence of the phase separation length scale and its relationship to the optimal length for exciton dissociation. The effects of DIO on the time evolution of the drying films indicates that it acts as both a solvent and a plasticizer for p-DTS(FBTTh2)(2), controlling its nucleation density and promoting its crystal growth.
C1 [Engmann, Sebastian; Bokel, Felicia A.; Herzing, Andrew A.; Ro, Hyun Wook; DeLongchamp, Dean M.; Richter, Lee J.] NIST, Mat Sci Engn Div, Gaithersburg, MD 20899 USA.
[Girotto, Claudio; Caputo, Bruno; Hoven, Corey V.] NEXT Energy Technol Inc, Santa Barbara, CA USA.
[Schaible, Eric; Hexemer, Alexander] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP DeLongchamp, DM (reprint author), NIST, Mat Sci Engn Div, Gaithersburg, MD 20899 USA.
EM dean.delongchamp@nist.gov; lee.richter@nist.gov
RI Richter, Lee/N-7730-2016
OI Richter, Lee/0000-0002-9433-3724
FU ARRA; NIST/National Research Council (NRC); Office of Science, Office of
Basic Energy Sciences, of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX Materials preparation and ellipsometric studies were performed in the
NIST Organic Photovoltaic Integrated Measurement Facility funded through
ARRA. FB acknowledges support of a NIST/National Research Council (NRC)
postdoctoral fellowship. Beamline 7.3.3 of the Advanced Light Source is
supported by the Director of the Office of Science, Office of Basic
Energy Sciences, of the U.S. Department of Energy under contract no.
DE-AC02-05CH11231.
NR 34
TC 16
Z9 16
U1 6
U2 30
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 2015
VL 3
IS 16
BP 8764
EP 8771
DI 10.1039/c5ta00935a
PG 8
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CF3ZZ
UT WOS:000352489200044
ER
PT J
AU Dudson, BD
Allen, A
Breyiannis, G
Brugger, E
Buchanan, J
Easy, L
Farley, S
Joseph, I
Kim, M
McGann, AD
Omotani, JT
Umansky, MV
Walkden, NR
Xia, T
Xu, XQ
AF Dudson, B. D.
Allen, A.
Breyiannis, G.
Brugger, E.
Buchanan, J.
Easy, L.
Farley, S.
Joseph, I.
Kim, M.
McGann, A. D.
Omotani, J. T.
Umansky, M. V.
Walkden, N. R.
Xia, T.
Xu, X. Q.
TI BOUT plus plus : Recent and current developments
SO JOURNAL OF PLASMA PHYSICS
LA English
DT Article
ID BOUNDARY PLASMAS; SIMULATIONS; TURBULENCE; TOKAMAK; TRANSPORT; SOL;
RECONSTRUCTION; PHYSICS
AB BOUT++ is a 3D nonlinear finite-difference plasma simulation code, capable of solving quite general systems of Partial Differential Equations (PDEs), but targeted particularly on studies of the edge region of tokamak plasmas. BOUT++ is publicly available, and has been adopted by a growing number of researchers worldwide. Here we present improvements which have been made to the code since its original release, both in terms of structure and its capabilities. Some recent applications of these methods are reviewed, and areas of active development are discussed. We also present algorithms and tools which have been developed to enable creation of inputs from analytic expressions and experimental data, and for processing and visualisation of output results. This includes a new tool HYPNOTOAD for the creation of meshes from experimental equilibria. Algorithms have been implemented in BOUT++ to solve a range of linear algebraic problems encountered in the simulation of reduced Magnetohydrodynamics (MHD) and gyro-fluid models: A preconditioning scheme is presented which enables the plasma potential to be calculated efficiently using iterative methods supplied by the PETSc library (the Portable, Extensible Toolkit for Scientific Computation) (Balay et al. 2014), without invoking the Boussinesq approximation. Scaling studies are also performed of a linear solver used as part of physics-based preconditioning to accelerate the convergence of implicit time-integration schemes.
C1 [Dudson, B. D.; Allen, A.; Easy, L.; McGann, A. D.; Walkden, N. R.] Univ York, York Plasma Inst, Dept Phys, York YO10 5DD, N Yorkshire, England.
[Breyiannis, G.] Japan Atom Energy Agcy, Rokkasho Fus Inst, Rokkasho 0393212, Japan.
[Brugger, E.; Joseph, I.; Umansky, M. V.; Xia, T.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
[Buchanan, J.; Easy, L.; Omotani, J. T.; Walkden, N. R.] Culham Sci Ctr, CCFE, Abingdon OX14 3DB, Oxon, England.
[Farley, S.] IIT, Dept Math, Chicago, IL 60616 USA.
[Kim, M.] POSTECH, Dept Phys, Pohang 790784, Gyeongbuk, South Korea.
[Xia, T.] Chinese Acad Sci, Inst Plasma Phys, Hefei, Peoples R China.
RP Dudson, BD (reprint author), Univ York, York Plasma Inst, Dept Phys, York YO10 5DD, N Yorkshire, England.
EM benjamin.dudson@york.ac.uk
OI Dudson, Benjamin/0000-0002-0094-4867
FU EPSRC [EP/K006940/1, EP/L000237/1]; EURATOM Mobility
FX This work was funded by EPSRC grant EP/K006940/1 using HECToR computing
resources through the Plasma HEC consortium grant EP/L000237/1. EURATOM
Mobility support is gratefully acknowledged. The views and opinions
expressed herein do not necessarily reflect those of the European
Commission.
NR 66
TC 6
Z9 6
U1 4
U2 18
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0022-3778
EI 1469-7807
J9 J PLASMA PHYS
JI J. Plasma Phys.
PD JAN
PY 2015
VL 81
AR 365810104
DI 10.1017/S0022377814000816
PN 1
PG 24
WC Physics, Fluids & Plasmas
SC Physics
GA CE9WF
UT WOS:000352193400025
ER
PT J
AU Gilmore, M
Lynn, AG
Desjardins, TR
Zhang, Y
Watts, C
Hsu, SC
Betts, S
Kelly, R
Schamiloglu, E
AF Gilmore, M.
Lynn, A. G.
Desjardins, T. R.
Zhang, Y.
Watts, C.
Hsu, S. C.
Betts, S.
Kelly, R.
Schamiloglu, E.
TI The HelCat basic plasma science device
SO JOURNAL OF PLASMA PHYSICS
LA English
DT Article
ID POTENTIAL RELAXATION INSTABILITY; SPHEROMAK INJECTION; DISCHARGE PLASMA;
EXCITATION; TRANSPORT; TOKAMAK; LAYER; SHEAR; UCLA
AB The Helicon-Cathode(HelCat) device is a medium-size linear experiment suitable for a wide range of basic plasma science experiments in areas such as electrostatic turbulence and transport, magnetic relaxation, and high power microwave (HPM)plasma interactions. The HelCat device is based on dual plasma sources located at opposite ends of the 4 m long vacuum chamber - an RF helicon source at one end and a thermionic cathode at the other. Thirteen coils provide an axial magnetic field B <= 0.220 T that can be configured individually to give various magnetic configurations (e.g. solenoid, mirror, cusp). Additional plasma sources, such as a compact coaxial plasma gun, are also utilized in some experiments, and can be located either along the chamber for perpendicular (to the background magnetic field) plasma injection, or at one of the ends for parallel injection. Using the multiple plasma sources, a wide range of plasma parameters can be obtained. Here, the HelCat device is described in detail and some examples of results from previous and ongoing experiments are given. Additionally, examples of planned experiments and device modifications are also discussed.
C1 [Gilmore, M.; Lynn, A. G.; Desjardins, T. R.; Zhang, Y.; Watts, C.; Betts, S.; Kelly, R.; Schamiloglu, E.] Univ New Mexico, Dept Elect & Comp Engn, Albuquerque, NM 87131 USA.
[Watts, C.] ITER Org, St Paul Les Durance, France.
[Hsu, S. C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Gilmore, M (reprint author), Univ New Mexico, Dept Elect & Comp Engn, Albuquerque, NM 87131 USA.
EM mgilmore@unm.edu
OI Hsu, Scott/0000-0002-6737-4934
FU US National Science Foundation; US Department of Energy Office of
Science; University of New Mexico
FX The authors would like to acknowledge Paolo Ricci for supplying the LSS
code and for many useful discussions and Tyler Wynkoop for assistance
with figures. We also thank Glen Wurden of Los Alamos National
Laboratory for the loan of the Hadland camera used for Figs 16 and 17.
The RF-Langmuir turbulence experiment was suggested by Evgeny Mishen.
This work was supported by the US National Science Foundation, the US
Department of Energy Office of Science, and the University of New
Mexico.
NR 48
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Z9 2
U1 2
U2 9
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0022-3778
EI 1469-7807
J9 J PLASMA PHYS
JI J. Plasma Phys.
PD JAN
PY 2015
VL 81
AR 345810104
DI 10.1017/S0022377814000919
PN 1
PG 23
WC Physics, Fluids & Plasmas
SC Physics
GA CE9WF
UT WOS:000352193400021
ER
PT J
AU Le, A
Egedal, J
Daughton, W
Roytershteyn, V
Karimabadi, H
Forest, C
AF Le, A.
Egedal, J.
Daughton, W.
Roytershteyn, V.
Karimabadi, H.
Forest, C.
TI Transition in electron physics of magnetic reconnection in weakly
collisional plasma
SO JOURNAL OF PLASMA PHYSICS
LA English
DT Article
ID ACCELERATION; TRANSPORT; FIELDS
AB Using particle-in-cell (PIC) simulations with a Monte Carlo treatment of the Coulomb collision operator, we study the transition in electron dynamics of magnetic reconnection for various levels of collisionality. The weakly collisional cases considered all fall into the so-called Hall or kinetic regime. Nevertheless, collisions may still alter the electron kinetic physics characteristic of collisionless reconnection, where adiabatic trapping energizes the electrons and leads to strong anisotropy of the electron velocity distribution and pressure. This anisotropy can support extended current sheets, associated with secondary island formation and turbulent flux rope interactions in three dimensional systems. The collisional simulations demonstrate how weak collisions may modify or eliminate these electron structures in the kinetic regimes. While the reconnection rate is not sensitive to the collisionality in the range studied, we find that increasing collisionality reduces the level of electron energization near the reconnection site. Finally, the results provide guidance for new laboratory reconnection experiments that will access the weakly collisional regimes.
C1 [Le, A.; Roytershteyn, V.; Karimabadi, H.] SciberQuest Inc, Del Mar, CA 92014 USA.
[Le, A.] Space Sci Inst, Ctr Space Plasma Phys, Boulder, CO 80301 USA.
[Egedal, J.; Forest, C.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA.
[Daughton, W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Le, A (reprint author), SciberQuest Inc, Del Mar, CA 92014 USA.
EM ale@spacescience.org
RI Daughton, William/L-9661-2013;
OI Roytershteyn, Vadim/0000-0003-1745-7587
FU NASA [NNH11CC65C, NNX14AL38G, NNX10AL11G]; NSF [1202152, ATM0802380,
OCI0904734]
FX A.L., H.K., and V.R.'s work was supported by NASA grants NNH11CC65C and
NNX14AL38G and NSF award 1202152. J.E. acknowledges support through NASA
grant NNX10AL11G and NSF Grants ATM0802380 and OCI0904734. W.D.'s work
was supported by the NASA Heliophysics Theory Program. Simulations were
performed on Kraken provided by NSF at NICS and on Pleiades provided by
NASA's HEC program, and using resources from the Los Alamos
Institutional Computing program.
NR 33
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U1 0
U2 3
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0022-3778
EI 1469-7807
J9 J PLASMA PHYS
JI J. Plasma Phys.
PD JAN
PY 2015
VL 81
AR 305810108
DI 10.1017/S0022377814000907
PN 1
PG 16
WC Physics, Fluids & Plasmas
SC Physics
GA CE9WF
UT WOS:000352193400008
ER
PT J
AU Palmer, CAJ
Dover, NP
Pogorelsky, I
Streeter, MJV
Najmudin, Z
AF Palmer, Charlotte A. J.
Dover, Nicholas P.
Pogorelsky, Igor
Streeter, Matthew J. V.
Najmudin, Zulfikar
TI Manipulation of laser-generated energetic proton spectra in near
critical density plasma
SO JOURNAL OF PLASMA PHYSICS
LA English
DT Article
ID ION-ACCELERATION; BEAMS; TARGETS; ABSORPTION; ELECTRON; PULSES
AB We present simulations that demonstrate the production of quasi-monoenergetic proton bunches from the interaction of a CO2 laser pulse train with a near-critical density hydrogen plasma. The multi-pulse structure of the laser leads to a steepening of the plasma density gradient, which the simulations show is necessary for the formation of narrow-energy spread proton bunches. Laser interactions with a long, front surface, scale-length (>> c/omega(p)) plasma, with linear density gradient, were observed to generate proton beams with a higher maximum energy, but a much broader spectrum compared to step-like density profiles. In the step-like cases, a peak in the proton energy spectra was formed and seen to scale linearly with the ratio of laser intensity to plasma density.
C1 [Palmer, Charlotte A. J.; Streeter, Matthew J. V.] Deutsch Elektronen Synchrotron DESY, D-22607 Hamburg, Germany.
[Palmer, Charlotte A. J.; Dover, Nicholas P.; Najmudin, Zulfikar] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, John Adams Inst Accelerator Sci, London SW7 2AZ, England.
[Pogorelsky, Igor] Brookhaven Natl Lab, Accelerator Test Facil, Upton, NY 11973 USA.
RP Palmer, CAJ (reprint author), Deutsch Elektronen Synchrotron DESY, D-22607 Hamburg, Germany.
EM charlotte.palmer@desy.de
OI Dover, Nicholas/0000-0003-0420-3940
FU EPSRC [EP/E035728/1, EP/K022415/1]; STFC [ST/J002062/1]; DOE
[DE-FG0207ER41488]
FX The authors would like to acknowledge the assistance of the ATF staff
and experimental collaborators in the performance of the experiment and
the OSIRIS collaboration for access to the simulation code. Computing
services were provided by Imperial College HPC. The work was funded by
EPSRC grants EP/E035728/1, EP/K022415/1, STFC grant ST/J002062/1 and DOE
grant DE-FG0207ER41488.
NR 29
TC 0
Z9 0
U1 0
U2 11
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0022-3778
EI 1469-7807
J9 J PLASMA PHYS
JI J. Plasma Phys.
PD JAN
PY 2015
VL 81
AR 365810103
DI 10.1017/S0022377814000798
PN 1
PG 9
WC Physics, Fluids & Plasmas
SC Physics
GA CE9WF
UT WOS:000352193400024
ER
PT J
AU Scime, EE
Keiter, PA
Balkey, MM
Kline, JL
Sun, X
Keesee, AM
Hardin, RA
Biloiu, IA
Houshmandyar, S
Thakur, SC
Carr, J
Galante, M
McCarren, D
Sears, S
AF Scime, E. E.
Keiter, P. A.
Balkey, M. M.
Kline, J. L.
Sun, X.
Keesee, A. M.
Hardin, R. A.
Biloiu, I. A.
Houshmandyar, S.
Thakur, S. Chakraborty
Carr, J., Jr.
Galante, M.
McCarren, D.
Sears, S.
TI The hot hELicon eXperiment (HELIX) and the large experiment on
instabilities and anisotropy (LEIA)
SO JOURNAL OF PLASMA PHYSICS
LA English
DT Article
ID ION TEMPERATURE ANISOTROPY; PLASMA; MAGNETOSHEATH; FREQUENCY; ELECTRON;
DEVICE
AB The West Virginia University Hot hELIcon eXperiment (HELIX) provides variable density and ion temperature plasmas, with controllable levels of thermal anisotropy, for space relevant laboratory experiments in the Large Experiment on Instabilities and Anisotropy (LEIA) as well as fundamental studies of helicon source physics in HELIX. Through auxiliary ion heating, the ion temperature anisotropy (T-perpendicular to/T-parallel to) is variable from 1 to 20 for parallel plasma beta (beta = 8 pi nkT(i parallel to)/B-2) values that span the range of 0.0001 to 0.01 in LEIA. The ion velocity distribution function is measured throughout the discharge volume in steady-state and pulsed plasmas with laser induced fluorescence (LIF). The wavelengths of very short wavelength electrostatic fluctuations are measured with a coherent microwave scattering system. Operating at low neutral pressures triggers spontaneous formation of a current-free electric double layer. Ion acceleration through the double layer is detected through LIF. LIF-based velocity space tomography of the accelerated beam provides a two-dimensional mapping of the bulk and beam ion distribution functions. The driving frequency for the m = 1 helical antenna is continuously variable from 8.5 to 16 MHz and frequency dependent variations of the RF coupling to the plasma allow the spontaneously appearing double layers to be turned on and off without modifying the plasma collisionality or magnetic field geometry. Single and multi-species plasmas are created with argon, helium, nitrogen, krypton, and xenon. The noble gas plasmas have steep neutral density gradients, with ionization levels reaching 100% in the core of the plasma source. The large plasma density in the source enables the study of Aflven waves in the HELIX device.
C1 [Scime, E. E.; Balkey, M. M.; Keesee, A. M.; McCarren, D.; Sears, S.] Univ Virginia, Dept Phys & Astron, Morgantown, WV 26506 USA.
[Keiter, P. A.] Univ Michigan, Dept Atmospher & Space Sci, Ann Arbor, MI 48109 USA.
[Kline, J. L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Sun, X.] Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China.
[Hardin, R. A.] Wacker Polysilicon North Amer LLC, Charleston, TN 37310 USA.
[Biloiu, I. A.] US Army Res Lab, Adelphi, MD 20783 USA.
[Houshmandyar, S.] Gonzaga Univ, Dept Phys, Spokane, WA 99258 USA.
[Thakur, S. Chakraborty] Univ Calif San Diego, Energy Res Ctr, San Diego, CA 92093 USA.
[Carr, J., Jr.] Texas Lutheran Univ, Dept Phys, Seguin, TX 78155 USA.
[Galante, M.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA.
RP Scime, EE (reprint author), Univ Virginia, Dept Phys & Astron, Morgantown, WV 26506 USA.
EM escime@wvu.edu
OI Keesee, Amy/0000-0002-9719-3229; Kline, John/0000-0002-2271-9919
FU NSF [PHY-0611571]
FX This work was supported by NSF award PHY-0611571. The authors thank one
referee for suggesting the additional comparison with the theory of
Reference 51 that is now shown in Fig. 15.
NR 45
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U1 0
U2 11
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0022-3778
EI 1469-7807
J9 J PLASMA PHYS
JI J. Plasma Phys.
PD JAN
PY 2015
VL 81
AR 345810103
DI 10.1017/S0022377814000890
PN 1
PG 22
WC Physics, Fluids & Plasmas
SC Physics
GA CE9WF
UT WOS:000352193400020
ER
PT J
AU Willingale, L
Nagel, SR
Thomas, AGR
Bellei, C
Clarke, RJ
Dangor, AE
Heathcote, R
Kaluza, MC
Kamperidis, C
Kneip, S
Krushelnick, K
Lopes, N
Mangles, SPD
Nazarov, W
Nilson, PM
Najmudin, Z
AF Willingale, L.
Nagel, S. R.
Thomas, A. G. R.
Bellei, C.
Clarke, R. J.
Dangor, A. E.
Heathcote, R.
Kaluza, M. C.
Kamperidis, C.
Kneip, S.
Krushelnick, K.
Lopes, N.
Mangles, S. P. D.
Nazarov, W.
Nilson, P. M.
Najmudin, Z.
TI Characterization of laser-driven proton beams from near-critical density
targets using copper activation
SO JOURNAL OF PLASMA PHYSICS
LA English
DT Article
ID PLASMA INTERACTIONS; SOLID INTERACTIONS; GENERATION; PULSES; ION
AB Copper activation was used to characterize high-energy proton beam acceleration from near-critical density plasma targets. An enhancement was observed when decreasing the target density, which is indicative for an increased laser-accelerated hot electron density at the rear target-vacuum boundary. This is due to channel formation and collimation of the hot electrons inside the target. Particle-in-cell simulations support the experimental observations and show the correlation between channel depth and longitudinal electric field strength is directly correlated with the proton acceleration.
C1 [Willingale, L.; Thomas, A. G. R.; Krushelnick, K.] Univ Michigan, Ctr Ultrafast Opt Sci, Ann Arbor, MI 48109 USA.
[Nagel, S. R.; Bellei, C.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
[Clarke, R. J.; Heathcote, R.] Rutherford Appleton Lab, Cent Laser Facil, Chilton OX11 0QX, Oxon, England.
[Dangor, A. E.; Kamperidis, C.; Kneip, S.; Lopes, N.; Mangles, S. P. D.; Najmudin, Z.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, John Adams Inst Accelerator Sci, London SW7 2AZ, England.
[Kaluza, M. C.] Inst Opt & Quantenelekt, D-07743 Jena, Germany.
[Kaluza, M. C.] Helmholtz Inst Jena, D-07743 Jena, Germany.
[Lopes, N.] Inst Super Tecn, GoLP, Lisbon, Portugal.
[Nazarov, W.] Univ St Andrews, High Energy Laser Mat R&D Lab, St Andrews KY16 9ST, Fife, Scotland.
[Nilson, P. M.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA.
RP Willingale, L (reprint author), Univ Michigan, Ctr Ultrafast Opt Sci, 2200 Bonisteel Blvd, Ann Arbor, MI 48109 USA.
EM wlouise@umich.edu
RI Mangles, Stuart/F-9070-2014; Lopes, Nelson/C-6540-2009;
OI Mangles, Stuart/0000-0003-2443-4201; Lopes, Nelson/0000-0001-8355-4727;
Thomas, Alexander/0000-0003-3206-8512
FU EPSRC [GR/T25934/01]
FX The authors gratefully acknowledge the staff of the Central Laser
Facility (RAL) for technical assistance and the Osiris consortium (UCLA
and IST) for the use of the code. The work was funded by EPSRC grant
GR/T25934/01.
NR 26
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Z9 1
U1 3
U2 18
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0022-3778
EI 1469-7807
J9 J PLASMA PHYS
JI J. Plasma Phys.
PD JAN
PY 2015
VL 81
AR 365810102
DI 10.1017/S002237781400066X
PN 1
PG 12
WC Physics, Fluids & Plasmas
SC Physics
GA CE9WF
UT WOS:000352193400023
ER
PT J
AU Chamorro, LP
Hong, J
Gangodagamage, C
AF Chamorro, L. P.
Hong, J.
Gangodagamage, C.
TI On the scale-to-scale coupling between a full-scale wind turbine and
turbulence
SO JOURNAL OF TURBULENCE
LA English
DT Article
DE field experiment; flow-structure interaction; turbine loading; wavelet
analysis; wind turbine
ID MULTIFRACTAL FORMALISM; DEVELOPED TURBULENCE; SIGNALS; ORGANIZATION;
WAVELETS; VELOCITY; LOADS; SHEAR; LAYER
AB The scale-dependent response of an instrumented full-scale wind turbine is studied under neutrally stratified conditions. The analysis is focused on the linkage between the incoming flow, turbine power output and foundation strain. Wind speed, measured from sonic anemometers installed on a meteorological tower, and foundation strain were sampled at 20 Hz, while the turbine power was sampled at 1 Hz. A wavelet framework and structure function are used to obtain cross correlations among flow turbulence, turbine power and strain across scales as well as to quantify intermittent signatures in both flow and turbine quantities. Results indicate that correlation between the streamwise velocity component of the wind flow and turbine power is maximised across all scales larger than the rotor radius for wind measured at the turbine hub height. The characteristic time lag associated with maximum correlation is shown to be consistent with the Taylor's hypothesis for turbulent scales smaller than the separation between the meteorological tower and the turbine. However, it decreases with increasing scale size and diminishes to zero at scales on the order of the boundary layer thickness. Turbine power and strain fluctuations exhibited practically the same behaviour at scales larger than two rotor diameters. At those scales, the cross correlation between these quantities resulted similar to 0.99 and remains still over 0.9 at the scale of rotor radius. Below this scale, the correlation decreases logarithmically with scale. The strong linkage between power and strain for all the relevant scales would eventually allow the analysis of dynamic forcing on the foundation based on the power output. Intermittency on the flow is shown to be transferred and amplified by the turbine, leading to highly intermittent power output.
C1 [Chamorro, L. P.] Univ Illinois, Dept Mech Sci & Engn, Urbana, IL 61801 USA.
[Hong, J.] Univ Minnesota, Dept Mech Engn, St Anthony Falls Lab, Minneapolis, MN 55455 USA.
[Gangodagamage, C.] Univ Calif Davis, Dept Land Air & Water Resources, Davis, CA 95616 USA.
[Gangodagamage, C.] Los Alamos Natl Lab, Los Alamos, NM USA.
RP Chamorro, LP (reprint author), Univ Illinois, Dept Mech Sci & Engn, Urbana, IL 61801 USA.
EM lpchamo@illinois.edu
FU US Department of Energy DOE [DE-EE0002980]
FX This work was financially supported by the US Department of Energy DOE
[DE-EE0002980].
NR 46
TC 1
Z9 1
U1 2
U2 8
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 1468-5248
J9 J TURBUL
JI J. Turbul.
PY 2015
VL 16
IS 7
BP 617
EP 632
DI 10.1080/14685248.2015.1021472
PG 16
WC Mechanics; Physics, Fluids & Plasmas
SC Mechanics; Physics
GA CF5PW
UT WOS:000352610300002
ER
PT J
AU Smith, BE
Roder, PB
Zhou, XZ
Pauzauskie, PJ
AF Smith, Bennett E.
Roder, Paden B.
Zhou, Xuezhe
Pauzauskie, Peter J.
TI Nanoscale materials for hyperthermal theranostics
SO NANOSCALE
LA English
DT Article
ID PHOTOTHERMAL CANCER-THERAPY; WALLED CARBON NANOTUBES; MAGNETIC FLUID
HYPERTHERMIA; UP-CONVERSION NANOPARTICLES; SURFACE-PLASMON RESONANCE;
CORE-SHELL NANOCOMPOSITES; IRON-OXIDE NANOPARTICLES; 980 NM-LASER;
IN-VIVO; DRUG-DELIVERY
AB Recently, the use of nanoscale materials has attracted considerable attention with the aim of designing personalized therapeutic approaches that can enhance both spatial and temporal control over drug release, permeability, and uptake. Potential benefits to patients include the reduction of overall drug dosages, enabling the parallel delivery of different pharmaceuticals, and the possibility of enabling additional functionalities such as hyperthermia or deep-tissue imaging (LIF, PET, etc.) that complement and extend the efficacy of traditional chemotherapy and surgery. This mini-review is focused on an emerging class of nanometer-scale materials that can be used both to heat malignant tissue to reduce angiogenesis and DNA-repair while simultaneously offering complementary imaging capabilities based on radioemission, optical fluorescence, magnetic resonance, and photoacoustic methods.
C1 [Smith, Bennett E.] Univ Washington, Dept Chem, Seattle, WA 98195 USA.
[Roder, Paden B.; Zhou, Xuezhe; Pauzauskie, Peter J.] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA.
[Pauzauskie, Peter J.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA.
RP Pauzauskie, PJ (reprint author), Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA.
EM peterpz@u.washington.edu
FU Air Force Office of Scientific Research [FA95501210400]; University of
Washington; NIH/NCI [T32CA138312]; NSF [DGE-1256082]; Pacific Northwest
National Laboratory; US DOE [DE-AC 06-76RLO 1830]
FX This research was made possible by a grant from the Air Force Office of
Scientific Research Young Investigator Program (contract #FA95501210400)
and start-up funding from the University of Washington. B. E. S.
acknowledges support from an NIH/NCI T32 training grant (T32CA138312).
P. B. R. thanks the NSF for a Graduate Research Fellowship under grant
number DGE-1256082. P. J. P. gratefully acknowledges support from the
Pacific Northwest National Laboratory which is operated by the Battelle
Memorial Institute for the US DOE under contract DE-AC 06-76RLO 1830.
NR 181
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U1 9
U2 62
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 2015
VL 7
IS 16
BP 7115
EP 7126
DI 10.1039/c4nr06164k
PG 12
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CF9SC
UT WOS:000352905700022
PM 25816102
ER
PT J
AU Li, RZ
Hu, AM
Bridges, D
Zhang, T
Oakes, KD
Peng, R
Tumuluri, U
Wu, ZL
Feng, ZL
AF Li, Ruo-Zhou
Hu, Anming
Bridges, Denzel
Zhang, Tong
Oakes, Ken D.
Peng, Rui
Tumuluri, Uma
Wu, Zili
Feng, Zhili
TI Robust Ag nanoplate ink for flexible electronics packaging
SO NANOSCALE
LA English
DT Article
ID CONDUCTIVE ADHESIVES; ROOM-TEMPERATURE; LARGE-SCALE; SILVER;
NANOPARTICLES; NANOWIRES; COMPOSITES; NANOPRISMS; PAPER; PASTE
AB Nanoinks are currently a topic of heightened interest with respect to low temperature bonding processes and printable electronics. We have developed an innovative polyvinylpyrrolidone (PVP)-stabilized Ag nanoplate ink amenable to very strong low temperature packaging, and investigated the relationship between bonding strength and electrical conductivity post-bonding. PVP shell plastic deformations observed in failure microcracks with the formation of PVP nanofibers, revealed bonding strength at low temperatures (<250 degrees C) was primarily due to adhesive bonding. It is found that, utilizing photonic sintering, similar to 70 degrees C reduction of transformation temperature from adhesive to metallic bonding was achieved compared to that of thermal sintering. A numerical simulation was developed to better understand the influences of the light-induced heat generation, which demonstrated near-infrared light can facilitate sintering. Bonding strengths of 27 MPa were achieved at room temperatures, and 29.4 MPa at 210 degrees C with photonic sintering. Moreover, the anisotropic resistivity was observed with different thermal dependences. These results demonstrate Ag nanoplate inks have potential for low temperature 3D interconnections in lead-free microcircuits, flexible electronic packaging, and diverse sensing applications.
C1 [Li, Ruo-Zhou; Zhang, Tong] Southeast Univ, Sch Elect Sci & Engn, Key Lab Microinertial Instrument & Adv Nav Techno, Minist Educ, Nanjing 210096, Jiangsu, Peoples R China.
[Li, Ruo-Zhou; Hu, Anming; Bridges, Denzel] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA.
[Li, Ruo-Zhou; Zhang, Tong] Southeast Univ, Suzhou Res Inst, Suzhou Key Lab Met Nanooptoelect Technol, Suzhou 215123, Peoples R China.
[Oakes, Ken D.] Cape Breton Univ, Dept Biol, Verschuren Ctr, Sydney, NSW B1P 6L2, Australia.
[Peng, Rui; Tumuluri, Uma; Wu, Zili] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Peng, Rui; Tumuluri, Uma; Wu, Zili] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Feng, Zhili] Oak Ridge Natl Lab, Mat Sci & Technol Div, Mat Proc & Joining, Oak Ridge, TN 37831 USA.
RP Hu, AM (reprint author), Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA.
EM ahu3@utk.edu; tzhang@seu.edu.cn
RI Hu, Anming/E-7370-2011; Wu, Zili/F-5905-2012; Feng, Zhili/H-9382-2012;
Peng, Rui/J-3781-2016
OI Hu, Anming/0000-0001-9794-0549; Wu, Zili/0000-0002-4468-3240; Feng,
Zhili/0000-0001-6573-7933; Peng, Rui/0000-0002-1686-9574
FU University of Tennessee; NSFC [61307066]; Doctoral Fund of Ministry of
Education of China [20110092110016, 20130092120024]; Natural Science
Foundation of Jiangsu Province [BK20130630]; National Basic Research
Program of China (973 Program) [2011CB302004]; Foundation of Key
Laboratory of Micro-Inertial Instrument and Advanced Navigation
Technology, Ministry of Education, China [201204]; Education Commission
[KZ40005001]
FX We appreciate the research initiative funding provided by the University
of Tennessee as a new hire package to AH. Part of the work including the
thermal analysis and FTIR was conducted at the Center for Nanophase
Materials Sciences, which is a DOE Office of Science User Facility. This
work is also in part supported by NSFC under grant number 61307066,
Doctoral Fund of Ministry of Education of China under grant number
20110092110016 and 20130092120024, Natural Science Foundation of Jiangsu
Province under grant number BK20130630, the National Basic Research
Program of China (973 Program) under grant number 2011CB302004 and the
Foundation of Key Laboratory of Micro-Inertial Instrument and Advanced
Navigation Technology, Ministry of Education, China under grant number
201204, a strategic research project (KZ40005001) of the Education
Commission. We also appreciate Dr John R Dunlap for the assistance in
FIB sample preparation and TEM (JIAM Analytical Instrument Facilities,
University of Tennessee at Knoxville).
NR 42
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U1 16
U2 98
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 2015
VL 7
IS 16
BP 7368
EP 7377
DI 10.1039/c5nr00312a
PG 10
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CF9SC
UT WOS:000352905700055
PM 25824693
ER
PT J
AU Ulvestad, A
Clark, JN
Singer, A
Vine, D
Cho, HM
Harder, R
Meng, YS
Shpyrko, OG
AF Ulvestad, Andrew
Clark, Jesse N.
Singer, Andrej
Vine, David
Cho, H. M.
Harder, Ross
Meng, Ying Shirley
Shpyrko, Oleg G.
TI In situ strain evolution during a disconnection event in a battery
nanoparticle
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID LITHIUM-ION BATTERIES; LIFEPO4 NANOPARTICLES; CATHODE MATERIALS;
COHERENCY STRAIN; PHASE-SEPARATION; ELECTROLYTE; DYNAMICS; ENERGY; TEM;
VISUALIZATION
AB Lithium ion batteries are the dominant form of energy storage in mobile devices, increasingly employed in transportation, and likely candidates for renewable energy storage and integration into the electrical grid. To fulfil their powerful potential, electrodes with increased capacity, faster charge rates, and longer cycle life must be developed. Understanding the mechanics and chemistry of individual nanoparticles under in situ conditions is a crucial step to improving performance and mitigating damage. Here we reveal three-dimensional strain evolution within a single nanoparticle of a promising high voltage cathode material, LiNi0.5Mn1.5O4, under in situ conditions. The particle becomes disconnected during the second charging cycle. This is attributed to the formation of a cathode electrolyte interphase layer with slow ionic conduction. The three-dimensional strain pattern within the particle is independent of cell voltage after disconnection, indicating that the particle is unable to redistribute lithium within its volume or to its neighbours. Understanding the disconnection process at the single particle level and the equilibrium or non-equilibrium state of nanoparticles is essential to improving performance of current and future electrochemical energy storage systems.
C1 [Ulvestad, Andrew; Singer, Andrej; Shpyrko, Oleg G.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA.
[Clark, Jesse N.] SLAC Natl Accelerator Lab, Stanford PULSE Inst, Menlo Pk, CA 94025 USA.
[Clark, Jesse N.] DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany.
[Vine, David; Harder, Ross] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Cho, H. M.; Meng, Ying Shirley] Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92093 USA.
RP Ulvestad, A (reprint author), Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA.
EM andrew.ulvestad@gmail.com
RI Ulvestad, Andrew/K-8888-2015; Singer, Andrej/M-3948-2015
OI Ulvestad, Andrew/0000-0003-4611-2561;
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-SC0001805]; U.S. Department of Energy, Office of Basic
Energy Sciences [DE-SC0002357]; U.S. D.O.E. [DE-AC02-06CH11357];
Volkswagen Foundation
FX This work was supported by U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences, under Contract DE-SC0001805. H.M.C. and
Y.S.M. acknowledge the financial support by U.S. Department of Energy,
Office of Basic Energy Sciences, under Award Number DE-SC0002357. O.G.S.
and Y.S.M. are grateful to the UCSD Chancellor's Interdisciplinary
Collaborators Award that made this collaboration possible. 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. D.O.E. under Contract No.
DE-AC02-06CH11357. A.U. thanks the staff at Argonne National Laboratory
and the Advanced Photon Source for their support. J.N.C gratefully
acknowledges financial support from the Volkswagen Foundation.
NR 42
TC 5
Z9 5
U1 9
U2 35
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 2015
VL 17
IS 16
BP 10551
EP 10555
DI 10.1039/c5cp00372e
PG 5
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA CF7AB
UT WOS:000352707200027
PM 25804979
ER
PT J
AU Zhou, TY
Qi, QY
Zhao, QL
Fu, J
Liu, Y
Ma, Z
Zhao, X
AF Zhou, Tian-You
Qi, Qiao-Yan
Zhao, Qiao-Ling
Fu, Jie
Liu, Yi
Ma, Zhi
Zhao, Xin
TI Highly thermally stable hydrogels derived from monolayered
two-dimensional supramolecular polymers
SO POLYMER CHEMISTRY
LA English
DT Article
ID HOST-GUEST INTERACTIONS; IN-VIVO; WATER; PHOTOCYCLODIMERIZATION;
POLYMERIZATION; STOICHIOMETRY; CYCLODEXTRIN; CUCURBITURIL; CHEMISTRY;
COPOLYMER
AB It has been predicted that the properties of materials are dramatically influenced if their structures are confined to two-dimensional (2D) space. A representative example is graphene. However, for synthetic 2D materials, such influences have rarely been demonstrated. In this work, a rare example of how a 2D monolayer structure can impact the properties of bulk materials has been demonstrated by the construction of 2D supramolecular polymers (SPs) and their utilization in the fabrication of hydrogels. Maintaining the intrinsic 2D structures, the as-prepared hydrogels exhibited exceptional thermal stabilities (>180 degrees C), as revealed by an inversion test and a variable-temperature rheological study. The microstructures and morphologies of the 2D SPs have been extensively characterized by NMR spectroscopy, dynamic light scattering, small-angel X-ray scattering, transmission electron microscopy and atomic force microscopy. Furthermore, molecular dynamic simulations were also performed to shed light on the formation mechanism of the hydrogels.
C1 [Zhou, Tian-You; Qi, Qiao-Yan; Zhao, Qiao-Ling; Fu, Jie; Ma, Zhi; Zhao, Xin] Chinese Acad Sci, Shanghai Inst Organ Chem, Key Lab Synthet & Self Assembly Chem Organ Funct, Shanghai 200032, Peoples R China.
[Liu, Yi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
RP Zhao, X (reprint author), Chinese Acad Sci, Shanghai Inst Organ Chem, Key Lab Synthet & Self Assembly Chem Organ Funct, 345 Lingling Rd, Shanghai 200032, Peoples R China.
EM xzhao@mail.sioc.ac.cn
RI Liu, yi/A-3384-2008; Foundry, Molecular/G-9968-2014
OI Liu, yi/0000-0002-3954-6102;
FU National Natural Science Foundation of China [21172249, 91127007];
Molecular Foundry, Lawrence Berkeley National Laboratory - Office of
Science, Office of Basic Energy Sciences, Scientific User Facilities
Division, of the U.S. Department of Energy [DE-AC02-05CH11231]
FX We thank the National Natural Science Foundation of China (nos. 21172249
and 91127007) for financial support. Y.L. acknowledges the support from
the Molecular Foundry, Lawrence Berkeley National Laboratory, 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. We also thank Prof. Zhan-Ting Li and Mr
Jia Tian (Fudan University) for their help in preparing the manuscript
and Prof. Li-Zhu Wu (Technical Institute of Physics and Chemistry) for
her helpful advice.
NR 48
TC 10
Z9 10
U1 3
U2 29
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1759-9954
EI 1759-9962
J9 POLYM CHEM-UK
JI Polym. Chem.
PY 2015
VL 6
IS 16
BP 3018
EP 3023
DI 10.1039/c5py00072f
PG 6
WC Polymer Science
SC Polymer Science
GA CF6AV
UT WOS:000352639700004
ER
PT J
AU Chapuis, G
Le Boudic-Jamin, M
Andonov, R
Djidjev, H
Lavenier, D
AF Chapuis, Guillaume
Le Boudic-Jamin, Mathilde
Andonov, Rumen
Djidjev, Hristo
Lavenier, Dominique
TI Parallel Seed-Based Approach to Multiple Protein Structure Similarities
Detection
SO SCIENTIFIC PROGRAMMING
LA English
DT Article
ID STRUCTURE ALIGNMENT; MAXIMUM CLIQUES; ALGORITHM; SEQUENCE; QUALITY;
GRAPHS
AB Finding similarities between protein structures is a crucial task in molecular biology. Most of the existing tools require proteins to be aligned in order-preserving way and only find single alignments even when multiple similar regions exist. We propose a new seed-based approach that discovers multiple pairs of similar regions. Its computational complexity is polynomial and it comes with a quality guarantee-the returned alignments have both root mean squared deviations (coordinate-based as well as internal-distances based) lower than a given threshold, if such exist. We do not require the alignments to be order preserving (i.e., we consider nonsequential alignments), which makes our algorithm suitable for detecting similar domains when comparing multidomain proteins as well as to detect structural repetitions within a single protein. Because the search space for nonsequential alignments is much larger than for sequential ones, the computational burden is addressed by extensive use of parallel computing techniques: a coarse-grain level parallelism making use of available CPU cores for computation and a fine-grain level parallelism exploiting bit-level concurrency as well as vector instructions.
C1 [Chapuis, Guillaume; Le Boudic-Jamin, Mathilde; Andonov, Rumen; Lavenier, Dominique] INRIA IRISA, F-35042 Rennes, France.
[Chapuis, Guillaume; Le Boudic-Jamin, Mathilde; Andonov, Rumen; Lavenier, Dominique] Univ Rennes 1, F-35042 Rennes, France.
[Djidjev, Hristo] Los Alamos Natl Lab, Informat Sci, Los Alamos, NM 87545 USA.
RP Andonov, R (reprint author), INRIA IRISA, Campus Univ Beaulieu, F-35042 Rennes, France.
EM rumen.andonov@irisa.fr
NR 34
TC 0
Z9 0
U1 1
U2 3
PU HINDAWI PUBLISHING CORP
PI NEW YORK
PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA
SN 1058-9244
EI 1875-919X
J9 SCI PROGRAMMING-NETH
JI Sci. Program.
PY 2015
AR 279715
DI 10.1155/2015/279715
PG 12
WC Computer Science, Software Engineering
SC Computer Science
GA CF9VJ
UT WOS:000352915000001
ER
PT J
AU Momin, N
Lee, S
Gadok, AK
Busch, DJ
Bachand, GD
Hayden, CC
Stachowiak, JC
Sasaki, DY
AF Momin, Noor
Lee, Stacey
Gadok, Avinash K.
Busch, David J.
Bachand, George D.
Hayden, Carl C.
Stachowiak, Jeanne C.
Sasaki, Darryl Y.
TI Designing lipids for selective partitioning into liquid ordered membrane
domains
SO SOFT MATTER
LA English
DT Article
ID AIR-WATER-INTERFACE; POLY(ETHYLENE GLYCOL); PHASE-SEPARATION; MODEL
MEMBRANES; MIXED MONOLAYERS; PROTEINS; VESICLES; RAFTS; BEHAVIOR;
PACKING
AB Self-organization of lipid molecules into specific membrane phases is key to the development of hierarchical molecular assemblies that mimic cellular structures. While the packing interaction of the lipid tails should provide the major driving force to direct lipid partitioning to ordered or disordered membrane domains, numerous examples show that the headgroup and spacer play important but undefined roles. We report here the development of several new biotinylated lipids that examine the role of spacer chemistry and structure on membrane phase partitioning. The new lipids were prepared with varying lengths of low molecular weight polyethylene glycol (EGn) spacers to examine how spacer hydrophilicity and length influence their partitioning behavior following binding with FITC-labeled streptavidin in liquid ordered (L-o) and liquid disordered (L-d) phase coexisting membranes. Partitioning coefficients (K-p L-o/L-d) of the biotinylated lipids were determined using fluorescence measurements in studies with giant unilamellar vesicles (GUVs). Compared against DPPE-biotin, DPPE-cap-biotin, and DSPE-PEG2000-biotin lipids, the new dipalmityl-EGn-biotin lipids exhibited markedly enhanced partitioning into liquid ordered domains, achieving K-p of up to 7.3 with a decaethylene glycol spacer (DP-EG10-biotin). We further demonstrated biological relevance of the lipids with selective partitioning to lipid raft-like domains observed in giant plasma membrane vesicles (GPMVs) derived from mammalian cells. Our results found that the spacer group not only plays a pivotal role for designing lipids with phase selectivity but may also influence the structural order of the domain assemblies.
C1 [Momin, Noor; Lee, Stacey; Sasaki, Darryl Y.] Sandia Natl Labs, Biotechnol & Bioengn Dept, Livermore, CA 94550 USA.
[Hayden, Carl C.] Sandia Natl Labs, Combust Chem Dept, Livermore, CA USA.
[Bachand, George D.] Sandia Natl Labs, Nanosyst Synth Anal Dept, Albuquerque, NM 87185 USA.
[Momin, Noor; Gadok, Avinash K.; Busch, David J.; Stachowiak, Jeanne C.] Univ Texas Austin, Dept Biomed Engn, Austin, TX 78712 USA.
RP Sasaki, DY (reprint author), Sandia Natl Labs, Biotechnol & Bioengn Dept, Livermore, CA 94550 USA.
EM dysasak@sandia.gov
OI Bachand, George/0000-0002-3169-9980
FU US Department of Energy, Office of Basic Energy Sciences, Materials
Science and Engineering Division [KC0203010]; National Science
Foundation, Division of Materials Research [DMR-1352487]; U.S.
Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX The authors would like to thank Ms April Nissen for conducting the DSC
measurements on the lipids and Prof. Paul Cremer (Pennsylvania State
University) and Profs. Marjorie Longo and Tonya Kuhl (UC Davis) for
their insightful discussions. This work was supported by the US
Department of Energy, Office of Basic Energy Sciences, Materials Science
and Engineering Division (KC0203010). GPMV studies were performed by AKG
and DJB. JCS acknowledges support from the National Science Foundation,
Division of Materials Research under grant DMR-1352487. 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 49
TC 5
Z9 5
U1 7
U2 31
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 2015
VL 11
IS 16
BP 3241
EP 3250
DI 10.1039/c4sm02856b
PG 10
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA CF8DD
UT WOS:000352784900017
PM 25772372
ER
PT S
AU Ginocchio, JN
AF Ginocchio, Joseph N.
BE Gargano, A
Coraggio, L
Itaco, N
TI Pseudospin Dynamical Symmetry in Nuclei
SO 11TH INTERNATIONAL SPRING SEMINAR ON NUCLEAR PHYSICS: SHELL MODEL AND
NUCLEAR STRUCTURE - ACHIEVEMENTS OF THE PAST TWO DECADES
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Spring Seminar on Nuclear Physics - Shell Model and
Nuclear Structure - Achievements of the Past Two Decades
CY MAY 12-16, 2014
CL Ischia, ITALY
SP Dipartimento Fisica, Ist Nazl Fisica Nucleare, Univ Naples Federico II
ID RELATIVISTIC SYMMETRY; TRANSITIONS
AB Pseudospin symmetry has been useful in understanding atomic nuclei. We review the arguments that this symmetry is a relativistic symmetry. The condition for this symmetry is that the sum of the vector and scalar potentials in the Dirac Hamiltonian is a constant. We give the generators of pseudospin symmetry. We review some of the predictions that follow from this insight into the relativistic origins of pseudospin symmetry. Since in nuclei the sum of the scalar and vector potentials is not zero but is small, we discuss preliminary investigations into the conditions on the potentials to produce partial dynamic pseudospin symmetry. Finally we show that approximate pseudospin symmetry in nuclei predicts approximate spin symmetry in anti-nucleon scattering from nuclei.
C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Ginocchio, JN (reprint author), Los Alamos Natl Lab, MS 283, Los Alamos, NM 87545 USA.
EM gino@lanl.gov
NR 24
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 580
AR 012036
DI 10.1088/1742-6596/580/1/012036
PG 6
WC Physics, Multidisciplinary; Physics, Nuclear
SC Physics
GA BC3ZO
UT WOS:000352130800036
ER
PT S
AU Iskra, LW
Broda, R
Janssens, RVF
Wrzesinski, J
Szpak, B
Chiara, CJ
Carpenter, MP
Fornal, B
Hoteling, N
Kondev, FG
Krolas, W
Lauritsen, T
Pawlat, T
Seweryniak, D
Stefanescu, I
Walters, WB
Zhu, S
AF Iskra, L. W.
Broda, R.
Janssens, R. V. F.
Wrzesinski, J.
Szpak, B.
Chiara, C. J.
Carpenter, M. P.
Fornal, B.
Hoteling, N.
Kondev, F. G.
Krolas, W.
Lauritsen, T.
Pawlat, T.
Seweryniak, D.
Stefanescu, I.
Walters, W. B.
Zhu, S.
BE Gargano, A
Coraggio, L
Itaco, N
TI High-spin shell model states in neutron-rich Sn isotopes
SO 11TH INTERNATIONAL SPRING SEMINAR ON NUCLEAR PHYSICS: SHELL MODEL AND
NUCLEAR STRUCTURE - ACHIEVEMENTS OF THE PAST TWO DECADES
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Spring Seminar on Nuclear Physics - Shell Model and
Nuclear Structure - Achievements of the Past Two Decades
CY MAY 12-16, 2014
CL Ischia, ITALY
SP Dipartimento Fisica, Ist Nazl Fisica Nucleare, Univ Naples Federico II
ID HEAVY-ION COLLISIONS; YRAST ISOMERS; NUCLEI; SUBSHELL
AB High-spin states with the seniority nu >= 2 have been investigated in the neutron-rich Sn-118,Sn-120,Sn-122,Sn-124,Sn-126 isotopes. They were produced in fusion-fission processes following Ca-48 + Pb-208, Ca-48 + U-238 reactions and via fission of target nuclei in the Ni-64 + U-238 system. By employing techniques of delayed-and cross-coincidences, it was possible to establish level schemes up to an 8 MeV excitation energy. The 13(-) and 15(-) states were identified as being isomeric and their half-lives were determined. The reduced transition probabilities extracted for isomeric transitions behave very regularly with the mass number A. The spin-parity values assigned to or suggested for the identified states were supported by shell-model calculations and by systematics.
C1 [Iskra, L. W.; Broda, R.; Wrzesinski, J.; Szpak, B.; Fornal, B.; Krolas, W.; Pawlat, T.] Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland.
[Janssens, R. V. F.; Chiara, C. J.; Carpenter, M. P.; Hoteling, N.; Lauritsen, T.; Seweryniak, D.; Stefanescu, I.; Zhu, S.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA.
[Chiara, C. J.; Hoteling, N.; Stefanescu, I.; Walters, W. B.] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA.
[Kondev, F. G.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA.
RP Iskra, LW (reprint author), Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland.
EM lukasz.iskra@ifj.edu.pI
RI Carpenter, Michael/E-4287-2015
OI Carpenter, Michael/0000-0002-3237-5734
NR 17
TC 0
Z9 0
U1 0
U2 3
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 580
AR 012037
DI 10.1088/1742-6596/580/1/012037
PG 6
WC Physics, Multidisciplinary; Physics, Nuclear
SC Physics
GA BC3ZO
UT WOS:000352130800037
ER
PT S
AU Moretto, LG
Larsen, AC
Giacoppo, F
Guttormsen, M
Siem, S
AF Moretto, L. G.
Larsen, A. C.
Giacoppo, F.
Guttormsen, M.
Siem, S.
BE Gargano, A
Coraggio, L
Itaco, N
TI Experimental First Order Pairing Phase Transition in Atomic Nuclei
SO 11TH INTERNATIONAL SPRING SEMINAR ON NUCLEAR PHYSICS: SHELL MODEL AND
NUCLEAR STRUCTURE - ACHIEVEMENTS OF THE PAST TWO DECADES
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Spring Seminar on Nuclear Physics - Shell Model and
Nuclear Structure - Achievements of the Past Two Decades
CY MAY 12-16, 2014
CL Ischia, ITALY
SP Dipartimento Fisica, Ist Nazl Fisica Nucleare, Univ Naples Federico II
AB The natural log of experimental nuclear level densities at low energy is linear with energy. This can be interpreted in terms of a nearly 1st order phase transition from a superfluid to an ideal gas of quasi particles. The transition temperature coincides with the BCS critical temperature and yields gap parameters in good agreement with the values extracted from evenodd mass differences from rotational states. This converging evidence supports the relevance of the BCS theory to atomic nuclei.
C1 [Moretto, L. G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Moretto, L. G.] Univ Calif Berkeley, Berkeley, CA 94720 USA.
[Larsen, A. C.; Giacoppo, F.; Guttormsen, M.; Siem, S.] Univ Oslo, Dept Phys, N-0316 Oslo, Norway.
RP Moretto, LG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM lgmoretto@lbl.gov
RI Larsen, Ann-Cecilie/C-8742-2014
OI Larsen, Ann-Cecilie/0000-0002-2188-3709
NR 17
TC 3
Z9 3
U1 0
U2 5
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 580
AR 012048
DI 10.1088/1742-6596/580/1/012048
PG 6
WC Physics, Multidisciplinary; Physics, Nuclear
SC Physics
GA BC3ZO
UT WOS:000352130800048
ER
PT S
AU Oganessian, YT
Abdullin, FS
Alexander, C
Binder, J
Boll, RA
Dmitriev, SN
Ezold, J
Felker, K
Gostic, JM
Grzywacz, RK
Hamilton, JH
Henderson, RA
Itkis, MG
Miernik, K
Miller, D
Moody, KJ
Polyakov, AN
Ramayya, AV
Roberto, JB
Ryabinin, MA
Rykaczewski, KP
Sagaidak, RN
Shaughnessy, DA
Shirokovsky, IV
Shumeiko, MV
Stoyer, MA
Stoyer, NJ
Subbotin, VG
Sukhov, AM
Tsyganov, YS
Utyonkov, VK
Voinov, AA
Vostokin, GK
AF Oganessian, Yu Ts
Abdullin, F. Sh
Alexander, C.
Binder, J.
Boll, R. A.
Dmitriev, S. N.
Ezold, J.
Felker, K.
Gostic, J. M.
Grzywacz, R. K.
Hamilton, J. H.
Henderson, R. A.
Itkis, M. G.
Miernik, K.
Miller, D.
Moody, K. J.
Polyakov, A. N.
Ramayya, A. V.
Roberto, J. B.
Ryabinin, M. A.
Rykaczewski, K. P.
Sagaidak, R. N.
Shaughnessy, D. A.
Shirokovsky, I. V.
Shumeiko, M. V.
Stoyer, M. A.
Stoyer, N. J.
Subbotin, V. G.
Sukhov, A. M.
Tsyganov, Yu S.
Utyonkov, V. K.
Voinov, A. A.
Vostokin, G. K.
BE Gargano, A
Coraggio, L
Itaco, N
TI Production and decay of the heaviest odd-Z nuclei in the Bk-249+Ca-48
reaction
SO 11TH INTERNATIONAL SPRING SEMINAR ON NUCLEAR PHYSICS: SHELL MODEL AND
NUCLEAR STRUCTURE - ACHIEVEMENTS OF THE PAST TWO DECADES
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Spring Seminar on Nuclear Physics - Shell Model and
Nuclear Structure - Achievements of the Past Two Decades
CY MAY 12-16, 2014
CL Ischia, ITALY
SP Dipartimento Fisica, Ist Nazl Fisica Nucleare, Univ Naples Federico II
ID CHEMICAL-IDENTIFICATION; ELEMENT-115; DUBNIUM
AB The reaction of Bk-249 with Ca-48 has been investigated with an aim of synthesizing and studying the decay properties of isotopes of the new element 117. The experiments were performed at five projectile energies (in two runs, in 2009-2010 and 2012) and with a total beam dose of Ca-48 ions of about 9x10(19). The experiments yielded data on alpha-decay characteristics and excitation functions of the produced nuclei that establish these to be (293)117 and (294)117 - the products of the 4n-and 3n-evaporation channels, respectively. In total, we have observed 20 decay chains of Z= 117 nuclides. The cross sections were measured to be 1.1 pb for the 3n and 2.4 pb for the 4n-reaction channel. The new (289)115 events, populated by a decay of (293)117, demonstrate the same decay properties as those observed for (289)115 produced in the Am-243(Ca-48, 2n) reaction thus providing cross-bombardment evidence. In addition, a single decay of (294)118 was observed from the reaction with Cf-249 -a result of the in-growth of Cf-249 in the Bk-249 target. The observed decay chain of (294)118 is in good agreement with decay properties obtained in 2002-2005 in the experiments with the reaction Cf-249(Ca-48, 3n) (294)118. The energies and half-lives of the odd-Z isotopes observed in the 117 decay chains together with the results obtained for lower-Z superheavy nuclei demonstrate enhancement of nuclear stability with increasing neutron number towards the predicted new magic number N= 184.
C1 [Oganessian, Yu Ts; Abdullin, F. Sh; Dmitriev, S. N.; Itkis, M. G.; Polyakov, A. N.; Sagaidak, R. N.; Shirokovsky, I. V.; Shumeiko, M. V.; Subbotin, V. G.; Sukhov, A. M.; Tsyganov, Yu S.; Utyonkov, V. K.; Voinov, A. A.; Vostokin, G. K.] Joint Inst Nucl Res, RU-141980 Dubna, Russia.
[Alexander, C.; Binder, J.; Boll, R. A.; Ezold, J.; Felker, K.; Grzywacz, R. K.; Miernik, K.; Roberto, J. B.; Rykaczewski, K. P.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Gostic, J. M.; Henderson, R. A.; Moody, K. J.; Shaughnessy, D. A.; Stoyer, M. A.; Stoyer, N. J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
[Grzywacz, R. K.; Miller, D.] Univ Tennessee, Knoxville, TN 37996 USA.
[Hamilton, J. H.; Ramayya, A. V.] Vanderbilt Univ, Nashville, TN 37235 USA.
[Ryabinin, M. A.] Res Inst Atom Reactors, RU-433510 Dimitrovgrad, Russia.
RP Oganessian, YT (reprint author), Joint Inst Nucl Res, RU-141980 Dubna, Russia.
EM voinov_2000@mail.ru
RI Boll, Rose/C-4138-2016;
OI Boll, Rose/0000-0003-2507-4834; Ezold, Julie/0000-0002-5055-0022;
Roberto, James/0000-0002-4234-0252
NR 26
TC 2
Z9 2
U1 0
U2 11
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 580
AR 012038
DI 10.1088/1742-6596/580/1/012038
PG 6
WC Physics, Multidisciplinary; Physics, Nuclear
SC Physics
GA BC3ZO
UT WOS:000352130800038
ER
PT S
AU Podolyak, Z
Shand, CM
Wilson, E
Brown, BA
Grawe, H
Chiara, CJ
Zhu, S
Fornal, B
Janssens, RVF
Bowry, M
Bunce, M
Carpenter, MP
Cieplicka, N
Deo, AY
Dracoulis, GD
Hoffman, CR
Kempley, RS
Kondev, FG
Lane, GJ
Lauritsen, T
Lotay, G
Reed, MW
Regan, PH
Triguero, CR
Seweryniak, D
Szpak, B
Walker, PM
AF Podolyak, Zs
Shand, C. M.
Wilson, E.
Brown, B. A.
Grawe, H.
Chiara, C. J.
Zhu, S.
Fornal, B.
Janssens, R. V. F.
Bowry, M.
Bunce, M.
Carpenter, M. P.
Cieplicka, N.
Deo, A. Y.
Dracoulis, G. D.
Hoffman, C. R.
Kempley, R. S.
Kondev, F. G.
Lane, G. J.
Lauritsen, T.
Lotay, G.
Reed, M. W.
Regan, P. H.
Triguero, C. Rodriguez
Seweryniak, D.
Szpak, B.
Walker, P. M.
BE Gargano, A
Coraggio, L
Itaco, N
TI Octupole transitions in the Pb-208 region
SO 11TH INTERNATIONAL SPRING SEMINAR ON NUCLEAR PHYSICS: SHELL MODEL AND
NUCLEAR STRUCTURE - ACHIEVEMENTS OF THE PAST TWO DECADES
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 11th International Spring Seminar on Nuclear Physics - Shell Model and
Nuclear Structure - Achievements of the Past Two Decades
CY MAY 12-16, 2014
CL Ischia, ITALY
SP Dipartimento Fisica, Ist Nazl Fisica Nucleare, Univ Naples Federico II
ID NUCLEAR-DATA SHEETS
AB The Pb-208 region is characterised by the existence of collective octupole states. Here we populated such states in (208)pb + (208)pb deep-inelastic reactions. gamma-ray angular distribution measurements were used to infer the octupole character of several E3 transitions. The octupole character of the 2318 keV 17(-) 14(+) in (208)bp D 2485 keV 19/2(-) -> 13/2(+) in Pb-207, D 2419 keV 15/2(-) -> 9/2(+) in Pb-209 and 2465 keV 17/2(+) -> 11/2(-) in (TI)-T-207 transitions was demonstrated for the first time. In addition, shell model calculations were performed using two different sets of two-body matrix elements. Their predictions were compared with emphasis on collective octupole states.
C1 [Podolyak, Zs; Shand, C. M.; Wilson, E.; Bowry, M.; Bunce, M.; Kempley, R. S.; Lotay, G.; Regan, P. H.; Walker, P. M.] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England.
[Brown, B. A.] Michigan State Univ, E Lansing, MI 48824 USA.
[Grawe, H.] GSI Helmholtzzentrum Schwerionenforsch GmbH, D-64291 Darmstadt, Germany.
[Chiara, C. J.; Zhu, S.; Janssens, R. V. F.; Carpenter, M. P.; Hoffman, C. R.; Lauritsen, T.; Seweryniak, D.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA.
[Chiara, C. J.] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA.
[Fornal, B.; Cieplicka, N.; Szpak, B.] H Niewodniczanski Inst Nucl Phys, PL-31342 Krakow, Poland.
[Deo, A. Y.] Univ Massachusetts, Dept Phys, Lowell, MA 01854 USA.
[Deo, A. Y.] Indian Inst Technol, Dept Phys, Roorkee 247667, Uttar Pradesh, India.
[Dracoulis, G. D.; Lane, G. J.; Reed, M. W.] Australian Natl Univ, Res Sch Phys & Engn, Dept Nucl Phys, Canberra, ACT 0200, Australia.
[Kondev, F. G.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA.
[Regan, P. H.] Natl Phys Lab, Teddington TW11 0LW, Middx, England.
[Triguero, C. Rodriguez] Univ Brighton, Sch Comp Engn & Math, Brighton BN2 4GL, E Sussex, England.
RP Podolyak, Z (reprint author), Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England.
EM z.podolyak@surrey.ac.uk
RI Carpenter, Michael/E-4287-2015; Lane, Gregory/A-7570-2011;
OI Carpenter, Michael/0000-0002-3237-5734; Lane,
Gregory/0000-0003-2244-182X; Wilson, Emma/0000-0003-2695-9853
NR 25
TC 3
Z9 3
U1 6
U2 12
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 580
AR 012010
DI 10.1088/1742-6596/580/1/012010
PG 6
WC Physics, Multidisciplinary; Physics, Nuclear
SC Physics
GA BC3ZO
UT WOS:000352130800010
ER
PT S
AU Frisch, PC
Berdyugin, A
Funsten, HO
Magalhaes, AM
McComas, DJ
Piirola, V
Schwadron, NA
Seriacopi, DB
Wiktorowicz, SJ
AF Frisch, P. C.
Berdyugin, A.
Funsten, H. O.
Magalhaes, A. M.
McComas, D. J.
Piirola, V.
Schwadron, N. A.
Seriacopi, D. B.
Wiktorowicz, S. J.
BE Zank, GP
TI Connecting the interstellar magnetic field at the heliosphere to the
Loop I superbubble
SO 13TH ANNUAL INTERNATIONAL ASTROPHYSICS CONFERENCE: VOYAGER, IBEX, AND
THE INTERSTELLAR MEDIUM
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 13th Annual International Astrophysics Conference on Voyager, IBEX, and
the Interstellar Medium
CY MAR 10-14, 2014
CL Myrtle Beach, SC
ID NORTH POLAR SPUR; BOUNDARY-EXPLORER RIBBON; ENERGETIC NEUTRAL ATOMS;
GALACTIC ENVIRONMENT; SCORPIO-CENTAURUS; LOCAL BUBBLE; IBEX;
POLARIZATION; STARS; SUN
AB The local interstellar magnetic field affects both the heliosphere and the surrounding cluster of interstellar clouds (CLIC). Measurements of linearly polarized starlight provide the only test of the magnetic field threading the CLIC. Polarization measurements of the CLIC magnetic field show multiple local magnetic structures, one of which is aligned with the magnetic field traced by the center of the "ribbon" of energetic neutral atoms discovered by the Interstellar Boundary Explorer (IBEX). Comparisons between the bulk motion of the CLIC through the local standard of rest, the magnetic field direction, the geometric center of Loop I, and the polarized dust bridge extending from the heliosphere toward the North Polar Spur direction all suggest that the CLIC is part of the rim region of the Loop I superbubble.
C1 [Frisch, P. C.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA.
[Berdyugin, A.; Piirola, V.] Univ Turku, Finnish Ctr Astron ESO, SF-20500 Turku, Finland.
[Funsten, H. O.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Magalhaes, A. M.; Seriacopi, D. B.] Univ Sao Paulo, Inst Astron Geofis & Ciencias Atmosfer, BR-05508 Sao Paulo, Brazil.
[McComas, D. J.] Southwest Res Inst, San Antonio, TX USA.
[McComas, D. J.] Univ Texas San Antonio, San Antonio, TX USA.
[Schwadron, N. A.] Univ New Hampshire, Ctr Space Sci, Durham, NH 03824 USA.
[Wiktorowicz, S. J.] Univ Calif Santa Cruz, Dept Astron, Santa Cruz, CA 95064 USA.
RP Frisch, PC (reprint author), Univ Chicago, Dept Astron & Astrophys, 5640 S Ellis Ave, Chicago, IL 60637 USA.
EM frisch@oddjob.uchicago.edu
OI Funsten, Herbert/0000-0002-6817-1039
NR 59
TC 4
Z9 4
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 577
AR 012010
DI 10.1088/1742-6596/577/1/012010
PG 10
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA BC3YZ
UT WOS:000352101600010
ER
PT S
AU Schwadron, NA
Adams, FC
Christian, E
Desiati, P
Frisch, P
Funsten, HO
Jokipii, JR
McComas, DJ
Moebius, E
Zank, GP
AF Schwadron, N. A.
Adams, F. C.
Christian, E.
Desiati, P.
Frisch, P.
Funsten, H. O.
Jokipii, J. R.
McComas, D. J.
Moebius, E.
Zank, G. P.
BE Zank, GP
TI Anisotropies in TeV Cosmic Rays Related to the Local Interstellar
Magnetic Field from the IBEX Ribbon
SO 13TH ANNUAL INTERNATIONAL ASTROPHYSICS CONFERENCE: VOYAGER, IBEX, AND
THE INTERSTELLAR MEDIUM
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 13th Annual International Astrophysics Conference on Voyager, IBEX, and
the Interstellar Medium
CY MAR 10-14, 2014
CL Myrtle Beach, SC
ID BOUNDARY-EXPLORER RIBBON; ARRIVAL DIRECTIONS; LO OBSERVATIONS; ENA FLUX;
CLOUD; SCINTILLATION; HELIOSPHERE; SPECTRUM; ICECUBE; SIRIUS
AB The Interstellar Boundary Explorer (IBEX) observes enhanced Energetic Neutral Atoms (ENAs) emission in the keV energy range from a narrow (similar to 20 degrees wide) "ribbon" in the sky that appears to be centered on the direction of the local interstellar (LIS) magnetic field. The Milagro collaboration, the As gamma collaboration and the Ice Cube observatory have recently made global maps of cosmic ray fluxes in the TeV energy range, revealing anisotropic structures ordered in part by the local interstellar magnetic field and the interstellar flow. This paper following from a recent publication in Science makes the link between these disparate observations by developing a simple model of the magnetic structure surrounding the heliosphere in the Local Interstellar Medium (LISM) that is consistent with both IBEX ENA fluxes and TeV cosmic ray anisotropies. The model also employs the revised velocity direction of the LIC derived from neutral He observations by IBEX. By modeling the propagation of cosmic rays through this magnetic field structure, we specifically show that (1) the large-scale TeV anisotropy provides a roughly consistent orientation for the local interstellar magnetic field at the center of the IBEX Ribbon and corroborates the 3,uG magnitude of the local interstellar magnetic field derived from IBEX observations of the global heliosphere; (2) and small-scale structures in cosmic rays (over < 30 angular scales) are influenced by the interstellar field interaction with the heliosphere at energies < 10 TeV. Thus, we provide a link between IBEX ENA observations, IBEX neutral observations of interstellar He, and TeV cosmic ray anisotropies, which are strongly influenced by the interactions between the local interstellar magnetic field, the flow of the local interstellar plasma, and the global heliosphere.
C1 [Schwadron, N. A.; Moebius, E.] Univ New Hampshire, Durham, NH 03824 USA.
[Schwadron, N. A.; McComas, D. J.] SW Res Inst, San Antonio, TX 78228 USA.
[Adams, F. C.] Univ Michigan, Ann Arbor, MI 48109 USA.
[Christian, E.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA.
[Frisch, P.] Univ Wisconsin, IceCube Res Ctr, Madison, WI 53706 USA.
[Desiati, P.] Univ Wisconsin, Dept Astron, Madison, WI 53706 USA.
[Frisch, P.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA.
[Funsten, H. O.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Jokipii, J. R.] Univ Arizona, Dept Planetary Sci, Tucson, AZ 85721 USA.
[McComas, D. J.] Univ Texas San Antonio, San Antonio, TX 78228 USA.
[Zank, G. P.] Univ Alabama, Huntsville, AL 35805 USA.
RP Schwadron, NA (reprint author), Univ New Hampshire, Durham, NH 03824 USA.
EM n.schwadron@unh.edu
OI Funsten, Herbert/0000-0002-6817-1039; Moebius,
Eberhard/0000-0002-2745-6978
NR 34
TC 1
Z9 1
U1 0
U2 2
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 577
AR 012023
DI 10.1088/1742-6596/577/1/012023
PG 11
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA BC3YZ
UT WOS:000352101600023
ER
PT S
AU Lukishova, SG
Winkler, JM
Mihaylova, D
Liapis, A
Bissell, LJ
Goldberg, D
Menon, VM
Shi, ZM
Boyd, RW
Chen, GN
Prasad, P
AF Lukishova, Svetlana G.
Winkler, Justin M.
Mihaylova, Dilyana
Liapis, Andreas
Bissell, Luke J.
Goldberg, David
Menon, Vinod M.
Shi, Zhimin
Boyd, Robert W.
Chen, Guanuing
Prasad, Paras
GP IOP
TI Nanocrystal fluorescence in photonic bandgap microcavities and plasmonic
nanoantennas
SO 23RD INTERNATIONAL LASER PHYSICS WORKSHOP (LPHYS'14)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 23rd International Laser Physics Workshop (LPHYS)
CY JUL 14-18, 2014
CL Bulgarian Acad Sci, Inst Elect, Sofia, BULGARIA
HO Bulgarian Acad Sci, Inst Elect
ID LIQUID-CRYSTAL HOST; DYE MOLECULE FLUORESCENCE; SINGLE
AB Results are presented here towards robust room-temperature single-photon sources based on fluorescence in nanocrystals: colloidal quantum dots, color-center diamonds and doped with trivalent rare-earth ions (TR3+). We used cholesteric chiral photonic bandgap and Bragg-reflector microcavities for single emitter fluorescence enhancement. We also developed plasmonic bowtie nanoantennas and 2D-Si-photonic bandgap microcavities.
C1 [Lukishova, Svetlana G.; Mihaylova, Dilyana; Boyd, Robert W.] Univ Rochester, Inst Opt, Rochester, NY 14627 USA.
[Winkler, Justin M.; Boyd, Robert W.] Univ Rochester, Dept Phys & Astron, Rochester, NY 14627 USA.
[Liapis, Andreas] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Bissell, Luke J.] US Air Force, Res Lab, Wright Patterson AFB, OH 45433 USA.
[Goldberg, David; Menon, Vinod M.] CUNY, Dept Phys, New York, NY 10031 USA.
[Shi, Zhimin] Univ S Florida, Dept Phys, Tampa, FL 33620 USA.
[Boyd, Robert W.] Univ Ottawa, Dept Phys, Ottawa, ON K1N 6N5, Canada.
[Boyd, Robert W.] Univ Ottawa, Sch Elect Engn & Comp Sci, Ottawa, ON K1N 6N5, Canada.
[Chen, Guanuing; Prasad, Paras] SUNY Buffalo, Inst Lasers Photon & Biophoton, Buffalo, NY 14260 USA.
[Chen, Guanuing; Prasad, Paras] SUNY Buffalo, Dept Chem, Buffalo, NY 14260 USA.
RP Lukishova, SG (reprint author), Univ Rochester, Inst Opt, Rochester, NY 14627 USA.
EM sluk@lle.rochester.edu
OI Liapis, Andreas/0000-0001-6810-3354
NR 31
TC 0
Z9 0
U1 2
U2 7
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 594
AR 012005
DI 10.1088/1742-6596/594/1/012005
PG 10
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BC3YJ
UT WOS:000352084500004
ER
PT J
AU Loizides, C
AF Loizides, C.
TI First results on p-Pb collisions from ALICE
SO ANNALS OF PHYSICS
LA English
DT Article
DE Nuclear modification factor; Elliptic flow; Identified particles; Mean
transverse momentum
ID AVERAGE TRANSVERSE-MOMENTUM; RANGE ANGULAR-CORRELATIONS; COLOR GLASS
CONDENSATE; LONG-RANGE; PLUS PB; MULTIPLICITY DEPENDENCE; CENTRALITY
DEPENDENCE; ROOT-S(NN)=5.02 TEV; PPB COLLISIONS; LHC
AB First results from p-Pb collisions at root S-NN = 5.02 TeV published by the ALICE collaboration till summer 2013 are summarized. Published by Elsevier Inc.
C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA.
RP Loizides, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA.
EM cloizides@lbl.gov
NR 52
TC 1
Z9 1
U1 0
U2 3
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0003-4916
EI 1096-035X
J9 ANN PHYS-NEW YORK
JI Ann. Phys.
PD JAN
PY 2015
VL 352
SI SI
BP 41
EP 51
DI 10.1016/j.aop.2014.07.044
PG 11
WC Physics, Multidisciplinary
SC Physics
GA CE8VS
UT WOS:000352122800006
ER
PT J
AU McLerran, L
AF McLerran, L.
TI Lessons learned and ideas formed from early studies of pA collisions
SO ANNALS OF PHYSICS
LA English
DT Article
ID CHARGED-PARTICLE MULTIPLICITY; GLUON DISTRIBUTION-FUNCTIONS;
NUCLEUS-NUCLEUS COLLISIONS; HIGH-ENERGIES; TRANSVERSE-MOMENTUM; PI
AB I discuss ideas that were developed in the early studies of high energy proton nucleus collisions. (C) 2014 Elsevier Inc. All rights reserved.
C1 [McLerran, L.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
[McLerran, L.] RIKEN, BNL Res Ctr, Brookhaven Natl Lab, Upton, NY 11973 USA.
[McLerran, L.] Cent China Normal Univ, Dept Phys, Wuhan 430079, Peoples R China.
RP McLerran, L (reprint author), Brookhaven Natl Lab, Dept Phys, Bdg 510A, Upton, NY 11973 USA.
EM mclerran@mac.com
FU DOE [DE-AC02-98CH10886]
FX The research of L. McLerran is supported under DOE Contract No.
DE-AC02-98CH10886.
NR 15
TC 0
Z9 0
U1 0
U2 0
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0003-4916
EI 1096-035X
J9 ANN PHYS-NEW YORK
JI Ann. Phys.
PD JAN
PY 2015
VL 352
SI SI
BP 52
EP 58
DI 10.1016/j.aop.2014.07.036
PG 7
WC Physics, Multidisciplinary
SC Physics
GA CE8VS
UT WOS:000352122800007
ER
PT J
AU Coleman-Smith, C
Muller, B
AF Coleman-Smith, Christopher
Mueller, Berndt
TI How to catch a 'fat' proton
SO ANNALS OF PHYSICS
LA English
DT Article
DE Proton; Fluctuation; Cross section
ID ANTIQUARK DISTRIBUTIONS; PPB COLLISIONS; SCATTERING; NUCLEON; ASYMMETRY;
LHC
AB We argue that high-multiplicity events in proton proton or proton nucleus collisions originate from large-size fluctuations of the nucleon shape. We discuss a pair of simple models of such proton shape fluctuations. A "fat" proton with a size of 3 fm occurs with observable frequency. In light of this result, collective flow behavior in the ensuing nuclear interaction seems feasible. We discuss the influence of these models on the parton structure of the proton. (C) 2014 Elsevier Inc. All rights reserved.
C1 [Coleman-Smith, Christopher; Mueller, Berndt] Duke Univ, Dept Phys, Durham, NC 27708 USA.
[Mueller, Berndt] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Muller, B (reprint author), Duke Univ, Dept Phys, Durham, NC 27708 USA.
EM mueller@phy.duke.edu
NR 30
TC 1
Z9 1
U1 0
U2 0
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0003-4916
EI 1096-035X
J9 ANN PHYS-NEW YORK
JI Ann. Phys.
PD JAN
PY 2015
VL 352
SI SI
BP 59
EP 69
DI 10.1016/j.aop.2014.07.040
PG 11
WC Physics, Multidisciplinary
SC Physics
GA CE8VS
UT WOS:000352122800008
ER
PT J
AU Sickles, AM
AF Sickles, Anne M.
CA PHENIX Collaboration
TI d plus Au hadron correlation measurements from PHENIX
SO ANNALS OF PHYSICS
LA English
DT Article
DE Heavy-ions
ID ANGULAR-CORRELATIONS; PB COLLISIONS; TEV
AB Recent observations of extended pseudorapidity correlations at the LHC in p + p and p + Pb collisions are of great interest. Here we present related results from d + Au collisions at PHENIX. We present the observed v(2) and discuss the possible origin in the geometry of the collision region. We also present new measurements of the pseudorapidity dependence of the ridge in d + Au collision. Future plans to clarify the role of geometry in small collision systems using He-3 + Au collisions are discussed. (C) 2014 Elsevier Inc. All rights reserved.
C1 [Sickles, Anne M.; PHENIX Collaboration] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
RP Sickles, AM (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
EM anne@bnl.gov
NR 18
TC 0
Z9 0
U1 1
U2 2
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0003-4916
EI 1096-035X
J9 ANN PHYS-NEW YORK
JI Ann. Phys.
PD JAN
PY 2015
VL 352
SI SI
BP 78
EP 83
DI 10.1016/j.aop.2014.07.033
PG 6
WC Physics, Multidisciplinary
SC Physics
GA CE8VS
UT WOS:000352122800010
ER
PT J
AU Steinberg, P
AF Steinberg, Peter
TI PHOBOS in the LHC era
SO ANNALS OF PHYSICS
LA English
DT Article
DE Heavy ion; Proton-nucleus; Deuteron-nucleus; Relativistic heavy-ion
collider; Large hadron collider
ID TRANSVERSE-MOMENTUM; PB COLLISIONS; DEPENDENCE; TEV
AB The PHOBOS experiment ran at the RHIC collider from 2000 to 2005, under the leadership of Wit Busza. These proceedings summarize selected PHOBOS results, highlighting their continuing relevance amidst the wealth of new results from the lead-lead program at the Large Hadron Collider (LHC). (C) 2015 Published by Elsevier Inc.
C1 Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Steinberg, P (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM peter.steinberg@bnl.gov
NR 37
TC 0
Z9 0
U1 0
U2 4
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0003-4916
EI 1096-035X
J9 ANN PHYS-NEW YORK
JI Ann. Phys.
PD JAN
PY 2015
VL 352
SI SI
BP 84
EP 95
DI 10.1016/j.aop.2014.07.042
PG 12
WC Physics, Multidisciplinary
SC Physics
GA CE8VS
UT WOS:000352122800011
ER
PT J
AU Tannenbaum, MJ
AF Tannenbaum, Michael J.
TI Reminiscences of Wit Busza and 41 years of p plus A physics
SO ANNALS OF PHYSICS
LA English
DT Article
DE Experimental nuclear physics
ID CHARGED-PARTICLE MULTIPLICITY; NUCLEUS-NUCLEUS COLLISIONS; CENTRAL
RAPIDITY REGION; HEAVY-ION COLLISIONS; TRANSVERSE ENERGY; MULTIPARTICLE
PRODUCTION; P+A COLLISIONS; AU COLLISIONS; 14.5 GEV/C; GEV-C
AB One of the more memorable (and easiest) proposal to deal with when I served on Bob Wilson's Program Advisory Committee at NAL (Now Fermilab) from 1972 to 1975 was Proposal-178, "A study of the average multiplicity and multiplicity distributions in hadron-nucleus collisions at high energies", with only 4 authors, Wit Busza, Jerry Friedman, Henry Kendall and Larry Rosenson, as presented at the PAC meeting by Wit. What I remember was that he discussed only ONE, 5 inch photomultiplier with a Cherenkov radiator in the beam to make this measurement of production of charged particles with angles up to 30 degrees in various nuclei, 40 h requested. This turned out to be a "seminal" experiment leading to the Wounded Nucleon and other participant models. Subsequent p(d) + A experiments from the AGS to RHIC, as well as alpha-alpha measurements at the CERN-ISR, will be discussed together with the various 'participants' that they revealed. (C) 2014 Elsevier Inc. All rights reserved.
C1 Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Tannenbaum, MJ (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM mjt@bnl.gov
OI Tannenbaum, Michael/0000-0002-8840-5314
FU US Department of Energy [DE-AC02-98CH10886]
FX This research was supported by US Department of Energy,
DE-AC02-98CH10886.
NR 39
TC 0
Z9 0
U1 0
U2 1
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0003-4916
EI 1096-035X
J9 ANN PHYS-NEW YORK
JI Ann. Phys.
PD JAN
PY 2015
VL 352
SI SI
BP 96
EP 107
DI 10.1016/j.aop.2014.07.034
PG 12
WC Physics, Multidisciplinary
SC Physics
GA CE8VS
UT WOS:000352122800012
ER
PT J
AU Venugopalan, R
AF Venugopalan, Raju
TI Long range correlations in high multiplicity hadron collisions: Building
bridges with ridges
SO ANNALS OF PHYSICS
LA English
DT Article
DE Long range correlation; Multi particle production; QCD
ID P-PB COLLISIONS; ANGULAR-CORRELATIONS; ION COLLISIONS; PPB COLLISIONS;
SIDE; TEV
AB We discuss the physics of the ridge - azimuthally collimated long range rapidity correlations - in high multiplicity proton-proton and proton-collisions. We outline some of the theoretical discussions in the literature that address the systematics of these ridge correlations. (C) 2014 Elsevier Inc. All rights reserved.
C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
RP Venugopalan, R (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
EM raju.venugopalan@gmail.com
FU DOE [DE-AC02-98CH10886]
FX R.V's research was supported by DOE Contract No. DE-AC02-98CH10886. He
is grateful to James Bjorken, Adam Bzdak, Adrian Dumitru, Kevin Dusling,
Dhevan Gangadharan, Jan Fiete Grosse-Oetringhaus, Miklos Gyulassy,
Martin Hentschinski, Edmond Iancu, Yuri Kovchegov, Wei Li, Constantin
Loizides, Larry McLerran, Peter Petreczky, Bjoern Schenke, Anne Sickles,
Derek Teaney, Giorgio Torrieri, Prithwish Tribedy and Konrad Tymoniuk
for useful discussions on the topics discussed here. He thanks W. Busza,
A. Bzdak, K. Dusling, L. McLerran and B. Schenke for a close reading of
the manuscript.
NR 75
TC 0
Z9 0
U1 1
U2 2
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0003-4916
EI 1096-035X
J9 ANN PHYS-NEW YORK
JI Ann. Phys.
PD JAN
PY 2015
VL 352
SI SI
BP 108
EP 116
DI 10.1016/j.aop.2014.08.001
PG 9
WC Physics, Multidisciplinary
SC Physics
GA CE8VS
UT WOS:000352122800013
ER
PT S
AU Whitelam, S
Jack, RL
AF Whitelam, Stephen
Jack, Robert L.
BE Johnson, MA
Martinez, TJ
TI The Statistical Mechanics of Dynamic Pathways to Self-Assembly
SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 66
SE Annual Review of Physical Chemistry
LA English
DT Review; Book Chapter
DE phase change; thermodynamics; dynamics
ID DENSITY-FUNCTIONAL THEORY; CRYSTAL-NUCLEATION; COMPLEX STRUCTURES;
BUILDING-BLOCKS; NONCLASSICAL NUCLEATION; 2-DIMENSIONAL CRYSTALS;
HOMOGENEOUS NUCLEATION; COLLOIDAL CRYSTALS; PATCHY PARTICLES;
HARD-SPHERES
AB This review describes some important physical characteristics of the pathways (i.e., dynamical processes) by which molecular, nanoscale, and micrometer-scale self-assembly occurs. We highlight the existence of features of self-assembly pathways that are common to a wide range of physical systems, even though those systems may differ with respect to their microscopic details. We summarize some existing theoretical descriptions of self-assembly pathways and highlight areas-notably, the description of self-assembly pathways that occur far from equilibrium-that are likely to become increasingly important.
C1 [Whitelam, Stephen] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Jack, Robert L.] Univ Bath, Dept Phys, Bath BA2 7AY, Avon, England.
RP Whitelam, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
EM swhitelam@lbl.gov; r.jack@bath.ac.uk
RI Jack, Robert/M-4096-2014; Foundry, Molecular/G-9968-2014
NR 153
TC 30
Z9 30
U1 11
U2 77
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0066-426X
BN 978-0-8243-1066-0
J9 ANNU REV PHYS CHEM
JI Annu. Rev. Phys. Chem.
PY 2015
VL 66
BP 143
EP 163
DI 10.1146/annurev-physchem-040214-121215
PG 21
WC Chemistry, Physical
SC Chemistry
GA BC4BN
UT WOS:000352259800007
PM 25493714
ER
PT S
AU Wang, HF
Velarde, L
Gan, W
Fu, L
AF Wang, Hong-Fei
Velarde, Luis
Gan, Wei
Fu, Li
BE Johnson, MA
Martinez, TJ
TI Quantitative Sum-Frequency Generation Vibrational Spectroscopy of
Molecular Surfaces and Interfaces: Lineshape, Polarization, and
Orientation
SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 66
SE Annual Review of Physical Chemistry
LA English
DT Review; Book Chapter
DE nonlinear susceptibilities; molecular polarizability; Euler
transformation; interference; Fresnel factor; local field factor
ID OPTICAL 2ND-HARMONIC GENERATION; AIR-WATER-INTERFACE; CH STRETCHING
MODES; LIQUID INTERFACES; NONLINEAR OPTICS; MULTIPOLAR CONTRIBUTIONS;
ISOTROPIC FLUIDS; CHIRAL LIQUIDS; SFG-VS; CATALYTIC-REACTIONS
AB Sum-frequency generation vibrational spectroscopy (SFG-VS) can provide detailed information and understanding of the molecular composition, interactions, and orientational and conformational structure of surfaces and interfaces through quantitative measurement and analysis. In this review, we present the current status of and discuss important recent developments in the measurement of intrinsic SFG spectral lineshapes and formulations for polarization measurements and orientational analysis of SFG-VS spectra. The focus of this review is to present a coherent description of SFG-VS and discuss the main concepts and issues that can help advance this technique as a quantitative analytical research tool for revealing the chemistry and physics of complex molecular surfaces and interfaces.
C1 [Wang, Hong-Fei; Fu, Li] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA.
[Velarde, Luis] SUNY Buffalo, Dept Chem, Buffalo, NY 14260 USA.
[Gan, Wei] Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Urumqi 830011, Xinjiang, Peoples R China.
RP Wang, HF (reprint author), Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA.
EM hongfei.wang@pnnl.gov
RI Wang, Hongfei/B-1263-2010; Velarde, Luis/D-4929-2011
OI Wang, Hongfei/0000-0001-8238-1641; Velarde, Luis/0000-0001-6329-3486
NR 148
TC 42
Z9 43
U1 21
U2 95
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0066-426X
BN 978-0-8243-1066-0
J9 ANNU REV PHYS CHEM
JI Annu. Rev. Phys. Chem.
PY 2015
VL 66
BP 189
EP 216
DI 10.1146/annurev-physchem-040214-121322
PG 28
WC Chemistry, Physical
SC Chemistry
GA BC4BN
UT WOS:000352259800009
PM 25493712
ER
PT S
AU Zhugayevych, A
Tretiak, S
AF Zhugayevych, Andriy
Tretiak, Sergei
BE Johnson, MA
Martinez, TJ
TI Theoretical Description of Structural and Electronic Properties of
Organic Photovoltaic Materials
SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 66
SE Annual Review of Physical Chemistry
LA English
DT Review; Book Chapter
DE organic solar cell; polarons in organic semiconductors; exciton and
charge carrier transport; power conversion efficiency
ID HETEROJUNCTION SOLAR-CELLS; 25TH ANNIVERSARY ARTICLE; DENSITY-FUNCTIONAL
THEORY; EXCITON DIFFUSION LENGTH; CHARGE-TRANSPORT; CONJUGATED POLYMERS;
MOLECULAR-DYNAMICS; AB-INITIO; SEMICONDUCTING POLYMERS; CONDUCTING
POLYMERS
AB We review recent progress in the modeling of organic solar cells and photovoltaic materials, as well as discuss the underlying theoretical methods with an emphasis on dynamical electronic processes occurring in organic semiconductors. The key feature of the latter is a strong electron-phonon interaction, making the evolution of electronic and structural degrees of freedom inseparable. We discuss commonly used approaches for first-principles modeling of this evolution, focusing on a multiscale framework based on the Holstein-Peierls Hamiltonian solved via polaron transformation. A challenge for both theoretical and experimental investigations of organic solar cells is the complex multiscale morphology of these devices. Nevertheless, predictive modeling of photovoltaic materials and devices is attainable and is rapidly developing, as reviewed here.
C1 [Zhugayevych, Andriy; Tretiak, Sergei] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Zhugayevych, Andriy] Skolkovo Inst Sci & Technol, Moscow 143025, Russia.
RP Zhugayevych, A (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM serg@lanl.gov
RI Tretiak, Sergei/B-5556-2009
OI Tretiak, Sergei/0000-0001-5547-3647
NR 215
TC 18
Z9 18
U1 14
U2 107
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0066-426X
BN 978-0-8243-1066-0
J9 ANNU REV PHYS CHEM
JI Annu. Rev. Phys. Chem.
PY 2015
VL 66
BP 305
EP +
DI 10.1146/annurev-physchem-040214-121440
PG 39
WC Chemistry, Physical
SC Chemistry
GA BC4BN
UT WOS:000352259800014
PM 25580623
ER
PT J
AU Yanez-Serrano, AM
Nolscher, AC
Williams, J
Wolff, S
Alves, E
Martins, GA
Bourtsoukidis, E
Brito, J
Jardine, K
Artaxo, P
Kesselmeier, J
AF Yanez-Serrano, A. M.
Noelscher, A. C.
Williams, J.
Wolff, S.
Alves, E.
Martins, G. A.
Bourtsoukidis, E.
Brito, J.
Jardine, K.
Artaxo, P.
Kesselmeier, J.
TI Diel and seasonal changes of biogenic volatile organic compounds within
and above an Amazonian rainforest
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID REACTION-MASS-SPECTROMETRY; SOUTHEASTERN UNITED-STATES; METHYL VINYL
KETONE; PINUS-SYLVESTRIS L.; PTR-MS MEASUREMENTS; TROPICAL FOREST;
COMPOUNDS VOC; ATMOSPHERIC CHEMISTRY; BOUNDARY-LAYER; NONMETHANE
HYDROCARBONS
AB The Amazonian rainforest is a large tropical ecosystem, which is one of the last pristine continental terrains. This ecosystem is ideally located for the study of diel and seasonal behaviour of biogenic volatile organic compounds (BVOCs) in the absence of local human interference. In this study, we report the first atmospheric BVOC measurements at the Amazonian Tall Tower Observatory (ATTO) site, located in central Amazonia. A quadrupole proton-transfer-reaction mass spectrometer (PTR-MS), with seven ambient air inlets, positioned from near ground to about 80 m (0.05, 0.5, 4, 24, 38, 53 and 79 m above the forest floor), was deployed for BVOC monitoring. We report diel and seasonal (February-March 2013 as wet season and September 2013 as dry season) ambient mixing ratios for isoprene, monoterpenes, isoprene oxidation products, acetaldehyde, acetone, methyl ethyl ketone (MEK), methanol and acetonitrile. Clear diel and seasonal patterns were observed for all compounds. In general, lower mixing ratios were observed during night, while maximum mixing ratios were observed during the wet season (February-March 2013), with the peak in solar irradiation at 12:00 LT (local time) and during the dry season (September 2013) with the peak in temperature at 16:00 LT. Isoprene and monoterpene mixing ratios were the highest within the canopy with a median of 7.6 and 1 ppb, respectively (interquartile range (IQR) of 6.1 and 0.38 ppb) during the dry season (at 24 m, from 12:00 to 15:00 LT). The increased contribution of oxygenated volatile organic compounds (OVOCs) above the canopy indicated a transition from dominating forest emissions during the wet season (when mixing ratios were higher than within the canopy), to a blend of biogenic emission, photochemical production and advection during the dry season when mixing ratios were higher above the canopy. Our observations suggest strong seasonal interactions between environmental (insolation, temperature) and biological (phenology) drivers of leaf BVOC emissions and atmospheric chemistry. Considerable differences in the magnitude of BVOC mixing ratios, as compared to other reports of Amazonian BVOC, demonstrate the need for long-term observations at different sites and more standardized measurement procedures, in order to better characterize the natural exchange of BVOCs between the Amazonian rainforest and the atmosphere.
C1 [Yanez-Serrano, A. M.; Wolff, S.; Kesselmeier, J.] Max Planck Inst Chem, Biogeochem Dept, D-55020 Mainz, Germany.
[Noelscher, A. C.; Williams, J.; Bourtsoukidis, E.] Max Planck Inst Chem, Atmospher Chem Dept, D-55020 Mainz, Germany.
[Yanez-Serrano, A. M.; Wolff, S.; Alves, E.; Martins, G. A.; Jardine, K.] INPA, BR-69083000 Manaus, Amazonas, Brazil.
[Brito, J.; Artaxo, P.] Univ Fed Sao Paulo, Inst Fis, BR-05508900 Sao Paulo, SP, Brazil.
[Jardine, K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Yanez-Serrano, AM (reprint author), Max Planck Inst Chem, Biogeochem Dept, POB 3060, D-55020 Mainz, Germany.
EM ayanezserrano@mpic.de
RI Brito, Joel/B-6181-2013; Kesselmeier, Jurgen/E-2389-2016; Artaxo,
Paulo/E-8874-2010; Jardine, Kolby/N-2802-2013;
OI Brito, Joel/0000-0002-4420-9442; Kesselmeier,
Jurgen/0000-0002-4446-534X; Artaxo, Paulo/0000-0001-7754-3036; Jardine,
Kolby/0000-0001-8491-9310; YANEZ SERRANO, ANA MARIA/0000-0001-6408-5961
FU Max Planck Society; Instituto Nacional de Pesquisas da Amazonia; ATTO
project (German Federal Ministry of Education and Research); ATTO
project (BMBF) [01LB1001A]; ATTO project (Brazilian Ministerio da
Ciencia, Tecnologia e Inovacao FINEP/MCTI) [01.11.01248.00]; UEA;
FAPEAM; LBA/INPA; SDS/CEUC/RDS-Uatuma
FX We thank the Max Planck Society and the Instituto Nacional de Pesquisas
da Amazonia for continuous support. Furthermore, we acknowledge the
support by the ATTO project (German Federal Ministry of Education and
Research, BMBF funds 01LB1001A; Brazilian Ministerio da Ciencia,
Tecnologia e Inovacao FINEP/MCTI contract 01.11.01248.00); UEA and
FAPEAM, LBA/INPA and SDS/CEUC/RDS-Uatuma. We would like to especially
thank all the people involved in the logistical support of the ATTO
project, in particular Reiner Ditz and Hermes Braga Xavier. We
acknowledge the Micrometeorological group of the INPA/LBA for their
collaboration concerning the meteorological parameters, with special
thanks to Marta Sa, Antonio Huxley and Leonardo Oliveira. We are
grateful to Tracey W. Andreae for help with the manuscript, Guenther
Schebeske for the GC-FID analysis and Nina Knothe for logistical help.
We would also like to thank Thomas Klupfel for all the great support
provided with the PTR-MS operation in the laboratory as well as in the
field. Lastly, we would like to acknowledge the referees of this
manuscript for the extensive contributions and suggestions which helped
to improve this study.
NR 114
TC 9
Z9 9
U1 6
U2 42
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2015
VL 15
IS 6
BP 3359
EP 3378
DI 10.5194/acp-15-3359-2015
PG 20
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CE9IN
UT WOS:000352157600024
ER
PT J
AU Boda, D
Leaf, G
Fonseca, J
Eisenberg, B
AF Boda, D.
Leaf, G.
Fonseca, J.
Eisenberg, B.
TI Energetics of ion competition in the DEKA selectivity filter of neuronal
sodium channels
SO CONDENSED MATTER PHYSICS
LA English
DT Article
DE Monte Carlo; primitive model electrolytes; ion channel; selectivity
ID MONTE-CARLO SIMULATIONS; EPITHELIAL NA+ CHANNEL; MODEL CALCIUM-CHANNEL;
PERFUSED GIANT AXONS; BROWNIAN DYNAMICS; MYELINATED NERVE; ORGANIC
CATIONS; FROG-MUSCLE; SIDE-CHAINS; PORE
AB The energetics of ionic selectivity in the neuronal sodium channels is studied. A simple model constructed for the selectivity filter of the channel is used. The selectivity filter of this channel type contains aspartate (D), glutamate (E), lysine (K), and alanine (A) residues (the DEKA locus). We use Grand Canonical Monte Carlo simulations to compute equilibrium binding selectivity in the selectivity filter and to obtain various terms of the excess chemical potential from a particle insertion procedure based on Widom's method. We show that K+ ions in competition with Na+ are efficiently excluded from the selectivity filter due to entropic hard sphere exclusion. The dielectric constant of protein has no effect on this selectivity. Ca2+ ions, on the other hand, are excluded from the filter due to a free energetic penalty which is enhanced by the low dielectric constant of protein.
C1 [Boda, D.] Univ Pannonia, Dept Phys Chem, H-8201 Veszprem, Hungary.
[Leaf, G.] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA.
[Fonseca, J.] Purdue Univ, Network Computat Nanotechnol, W Lafayette, IN 47907 USA.
[Eisenberg, B.] Rush Univ, Med Ctr, Dept Mol Biophys & Physiol, Chicago, IL 60612 USA.
RP Boda, D (reprint author), Univ Pannonia, Dept Phys Chem, POB 158, H-8201 Veszprem, Hungary.
EM boda@almos.vein.hu
FU Hungarian National Research Fund in the framework of ERA Chemistry [OTKA
NN113527]; [TAMOP-4.2.2/A-11/1/KONV-2012-0071];
[TAMOP-4.1.1/C-12/1/KONV-2012-0017]
FX We gratefully acknowledge the computing resources provided on Blues
and/or Fusion, high-performance computing cluster operated by the
Laboratory Computing Resource Center at Argonne National Laboratory. We
acknowledge the support of the Hungarian National Research Fund (OTKA
NN113527) in the framework of ERA Chemistry. Present publication was
realized with the support of the projects
TAMOP-4.2.2/A-11/1/KONV-2012-0071 and TAMOP-4.1.1/C-12/1/KONV-2012-0017.
NR 75
TC 2
Z9 2
U1 0
U2 10
PU INST CONDENSED MATTER PHYSICS NATL ACAD SCIENCES UKRAINE
PI LVIV
PA 1 SVIENTSITSKII STR, LVIV, 79011, UKRAINE
SN 1607-324X
EI 2224-9079
J9 CONDENS MATTER PHYS
JI Condens. Matter Phys.
PY 2015
VL 18
IS 1
AR 13601
DI 10.5488/CMP.18.13601
PG 14
WC Physics, Condensed Matter
SC Physics
GA CF6NI
UT WOS:000352673000008
ER
PT J
AU Mamun, MA
Baumgart, H
Elmustafa, AA
AF Mamun, M. A.
Baumgart, H.
Elmustafa, A. A.
TI ALD Zirconium Oxide (ZrO2) Thin Films Mechanical/Structural Properties
for High-Tech Applications
SO ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY
LA English
DT Article
ID CRYSTALLINE SILICON; DEPOSITION; SUBSTRATE
AB The nanomechanical and structural properties of atomic layer deposition (ALD) zirconium oxide (ZrO2) films of varying thickness deposited on p-type Si (100) substrates with 200, 300, and 500, ALD deposition cycles were investigated. The 300 ALD deposition cycles ZrO2 films were further annealed at 600 degrees C. The nanomechanical properties of the films were tested using nanoindentation and the surface morphology was investigated using AFM. The structural and surface properties were explored using field emission scanning electron microscopy (FE-SEM) and atomic force microscopy (AFM). We discuss the influence of the deposition technique on the structure and properties of the ZrO2 films resulting from ALD synthesis. The nanoindentation results indicate that the films become consistently softer as the number of ALD deposition cycles increase and the film grows thicker. Further annealing of the films at 600 degrees C slightly enhanced the hardness and fracture toughness of the films. The annealed ALD films depicted shorter radial cracks compared to the films under the same applied stress, which were not annealed in forming gas. (C) 2015 The Electrochemical Society. All rights reserved.
C1 [Mamun, M. A.; Elmustafa, A. A.] Old Dominion Univ, Dept Mech & Aerosp Engn, Norfolk, VA 23529 USA.
[Mamun, M. A.; Baumgart, H.; Elmustafa, A. A.] Appl Res Ctr, Thomas Jefferson Lab, Newport News, VA 23606 USA.
[Baumgart, H.] Old Dominion Univ, Dept Elect & Comp Engn, Norfolk, VA 23529 USA.
RP Mamun, MA (reprint author), Old Dominion Univ, Dept Mech & Aerosp Engn, Norfolk, VA 23529 USA.
EM aelmusta@odu.edu
NR 14
TC 1
Z9 1
U1 1
U2 16
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 2015
VL 4
IS 5
BP Q35
EP Q37
DI 10.1149/2.0051505jss
PG 3
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA CF0HP
UT WOS:000352224200021
ER
PT J
AU Bailie, CD
Christoforo, MG
Mailoa, JP
Bowring, AR
Unger, EL
Nguyen, WH
Burschka, J
Pellet, N
Lee, JZ
Gratzel, M
Noufi, R
Buonassisi, T
Salleo, A
McGehee, MD
AF Bailie, Colin D.
Christoforo, M. Greyson
Mailoa, Jonathan P.
Bowring, Andrea R.
Unger, Eva L.
Nguyen, William H.
Burschka, Julian
Pellet, Norman
Lee, Jungwoo Z.
Graetzel, Michael
Noufi, Rommel
Buonassisi, Tonio
Salleo, Alberto
McGehee, Michael D.
TI Semi-transparent perovskite solar cells for tandems with silicon and
CIGS
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID ORGANOMETAL HALIDE PEROVSKITES; EFFICIENCY; DEPOSITION; PHOTOVOLTAICS;
TRANSMISSION; PERFORMANCE; ELECTRODES
AB A promising approach for upgrading the performance of an established low-bandgap solar technology without adding much cost is to deposit a high bandgap polycrystalline semiconductor on top to make a tandem solar cell. We use a transparent silver nanowire electrode on perovskite solar cells to achieve a semi-transparent device. We place the semi-transparent cell in a mechanically-stacked tandem configuration onto copper indium gallium diselenide (CIGS) and low-quality multicrystalline silicon (Si) to achieve solid-state polycrystalline tandem solar cells with a net improvement in efficiency over the bottom cell alone. This work paves the way for integrating perovskites into a low-cost and high-efficiency (>25%) tandem cell.
C1 [Bailie, Colin D.; Bowring, Andrea R.; Unger, Eva L.; Salleo, Alberto; McGehee, Michael D.] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA.
[Christoforo, M. Greyson] Stanford Univ, Dept Elect Engn, Stanford, CA 94305 USA.
[Mailoa, Jonathan P.; Lee, Jungwoo Z.; Buonassisi, Tonio] MIT, Sch Engn, Cambridge, MA 02139 USA.
[Nguyen, William H.] Stanford Univ, Dept Chem, Stanford, CA 94305 USA.
[Burschka, Julian; Pellet, Norman; Graetzel, Michael] Ecole Polytech Fed Lausanne, Inst Sci & Ingn Chim, Lab Photon & Interfaces, CH-1015 Lausanne, Switzerland.
[Noufi, Rommel] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Bailie, CD (reprint author), Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA.
EM mmcgehee@stanford.edu
RI Bailie, Colin/K-8142-2013
OI Bailie, Colin/0000-0001-9203-2656
FU Department of Energy [DE-EE0004946]; Center for Advanced Molecular
Photovoltaics by the King Abdullah University of Science and Technology
(KAUST) [KUS-C1-015-21]; Global Climate and Energy Project (GCEP);
National Science Foundation [ARI-0963061, ECS-0335765]; National
Research Foundation Singapore through the Singapore MIT Alliance for
Research and Technology's Low Energy Electronic Systems research
program; Department of Defense (DoD) through the National Defense
Science & Engineering Graduate Fellowship (NDSEG) Program
FX This work was primarily supported by the Department of Energy through
the Bay Area Photovoltaic Consortium under Award Number DE-EE0004946.
This material was also based on work supported by the Center for
Advanced Molecular Photovoltaics under Award Number KUS-C1-015-21 by the
King Abdullah University of Science and Technology (KAUST), and the
Global Climate and Energy Project (GCEP). The nanowire electrode
fabrication work was performed in part at the Stanford Nano-fabrication
Facility's nSiL lab, which was funded by National Science Foundation
award ARI-0963061. The muticrystalline silicon device fabrication was
performed in part at the Harvard Center for Nanoscale Systems, which was
funded by National Science Foundation award ECS-0335765. Jonathan P.
Mailoa and Jungwoo Z. Lee were supported by the National Research
Foundation Singapore through the Singapore MIT Alliance for Research and
Technology's Low Energy Electronic Systems research program. A.E.
Morishige and J. Hofstetter (MIT) are acknowledged for supplying and
advice on preparing the silicon wafers. William H. Nguyen was supported
by the Department of Defense (DoD) through the National Defense Science
& Engineering Graduate Fellowship (NDSEG) Program. We thank Dmitry
Poplavskyy and DuPont for their generous donation of mono-crystalline
silicon solar cells. We acknowledge helpful feedback from an anonymous
reviewer.
NR 37
TC 142
Z9 144
U1 67
U2 353
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 2015
VL 8
IS 3
BP 956
EP 963
DI 10.1039/c4ee03322a
PG 8
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA CF0ZZ
UT WOS:000352274600021
ER
PT J
AU Liu, M
Rong, ZQ
Malik, R
Canepa, P
Jain, A
Ceder, G
Persson, KA
AF Liu, Miao
Rong, Ziqin
Malik, Rahul
Canepa, Pieremanuele
Jain, Anubhav
Ceder, Gerbrand
Persson, Kristin A.
TI Spinel compounds as multivalent battery cathodes: a systematic
evaluation based on ab initio calculations
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID GENERALIZED GRADIENT APPROXIMATION; RECHARGEABLE MAGNESIUM BATTERIES;
SECONDARY LITHIUM BATTERIES; 1ST PRINCIPLES CALCULATIONS; POLYVALENT
CATIONS; ENERGY-STORAGE; ION BATTERIES; MG BATTERIES; METAL-OXIDES;
INTERCALATION
AB Batteries that shuttle multivalent ions such as Mg2+ and Ca2+ ions are promising candidates for achieving higher energy density than available with current Li-ion technology. Finding electrode materials that reversibly store and release these multivalent cations is considered a major challenge for enabling such multivalent battery technology. In this paper, we use recent advances in high-throughput first-principles calculations to systematically evaluate the performance of compounds with the spinel structure as multivalent intercalation cathode materials, spanning a matrix of five different intercalating ions and seven transition metal redox active cations. We estimate the insertion voltage, capacity, thermodynamic stability of charged and discharged states, as well as the intercalating ion mobility and use these properties to evaluate promising directions. Our calculations indicate that the Mn2O4 spinel phase based on Mg and Ca are feasible cathode materials. In general, we find that multivalent cathodes exhibit lower voltages compared to Li cathodes; the voltages of Ca spinels are similar to 0.2 V higher than those of Mg compounds (versus their corresponding metals), and the voltages of Mg compounds are similar to 1.4 V higher than Zn compounds; consequently, Ca and Mg spinels exhibit the highest energy densities amongst all the multivalent cation species. The activation barrier for the Al3+ ion migration in the Mn2O4 spinel is very high (similar to 1400 meV for Al3+ in the dilute limit); thus, the use of an Al based Mn spinel intercalation cathode is unlikely. Amongst the choice of transition metals, Mn-based spinel structures rank highest when balancing all the considered properties.
C1 [Liu, Miao; Jain, Anubhav; Persson, Kristin A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Rong, Ziqin; Malik, Rahul; Canepa, Pieremanuele; Ceder, Gerbrand] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA.
RP Liu, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
EM kapersson@lbl.gov
RI Canepa, Pieremanuele/O-2344-2013; Liu, Miao/N-9937-2013
OI Canepa, Pieremanuele/0000-0002-5168-9253; Liu, Miao/0000-0002-1843-9519
FU Joint Center for Energy Storage Research (JCESR), an Energy Innovation
Hub - U.S. Department of Energy, Office of Science, Basic Energy
Sciences; Assistant Secretary for Energy Efficiency and Renewable Energy
[DEAC02-05CH11231]; BES DOE Grant [EDCBEE]
FX This work was intellectually led and fully supported by of the Joint
Center for Energy Storage Research (JCESR), an Energy Innovation Hub
funded by the U.S. Department of Energy, Office of Science, Basic Energy
Sciences. Work at the Lawrence Berkeley National Laboratory was
supported by the Assistant Secretary for Energy Efficiency and Renewable
Energy, under Contract no. DEAC02-05CH11231. We also thank the National
Energy Research Scientific Computing Center (NERSC) for providing
computing resources. The Materials Project (BES DOE Grant no. EDCBEE) is
acknowledged for infrastructure and algorithmic support.
NR 69
TC 47
Z9 47
U1 37
U2 174
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 2015
VL 8
IS 3
BP 964
EP 974
DI 10.1039/c4ee03389b
PG 11
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA CF0ZZ
UT WOS:000352274600022
ER
PT J
AU Yan, J
Gorai, P
Ortiz, B
Miller, S
Barnett, SA
Mason, T
Stevanovic, V
Toberer, ES
AF Yan, Jun
Gorai, Prashun
Ortiz, Brenden
Miller, Sam
Barnett, Scott A.
Mason, Thomas
Stevanovic, Vladan
Toberer, Eric S.
TI Material descriptors for predicting thermoelectric performance
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID METAL-INSULATOR-TRANSITION; THERMAL-CONDUCTIVITY; TRANSPORT-PROPERTIES;
ENERGY-CONVERSION; ZINTL COMPOUND; EFFICIENCY; BAND; CRYSTALS; OXIDE;
PBTE
AB In the context of materials design and high-throughput computational searches for new thermoelectric materials, the need to compute electron and phonon transport properties renders direct assessment of the thermoelectric figure of merit (zT) for large numbers of compounds untenable. Here we develop a semi-empirical approach rooted in first-principles calculations that allows relatively simple computational assessment of the intrinsic bulk material properties which govern zT. These include carrier mobility, effective mass, and lattice thermal conductivity, which combine to form a semi-empirical metric (descriptor) termed beta(SE). We assess the predictive power of beta(SE) against a range of known thermoelectric materials, as well as demonstrate its use in high-throughput screening for promising candidate materials.
C1 [Yan, Jun; Gorai, Prashun; Ortiz, Brenden; 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.
[Miller, Sam; Barnett, Scott A.; Mason, Thomas] Northwestern Univ, Evanston, IL USA.
RP Yan, J (reprint author), Colorado Sch Mines, Golden, CO 80401 USA.
EM etoberer@mines.edu
RI Barnett, Scott/B-7502-2009; Mason, Thomas/B-7528-2009
FU NSF DMR program [1334713, 1333335]
FX We acknowledge support from the NSF DMR program, grant no. 1334713 and
1333335. The use of NREL's computing resources is gratefully
acknowledged.
NR 102
TC 37
Z9 37
U1 20
U2 93
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 2015
VL 8
IS 3
BP 983
EP 994
DI 10.1039/c4ee03157a
PG 12
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA CF0ZZ
UT WOS:000352274600024
ER
PT J
AU Wang, HL
Turner, JA
AF Wang, Heli
Turner, John A.
TI Photoelectrochemical reduction of nitrates at the illuminated p-GaInP2
photoelectrode (vol 6, pg 1802, 2013)
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Correction
C1 [Wang, Heli; Turner, John A.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Wang, HL (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM heli.wang@nrel.gov
NR 1
TC 0
Z9 0
U1 4
U2 21
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 2015
VL 8
IS 3
BP 1046
EP 1046
DI 10.1039/c5ee90006a
PG 1
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA CF0ZZ
UT WOS:000352274600031
ER
PT J
AU Wang, JJ
Sun, XL
AF Wang, Jiajun
Sun, Xueliang
TI Olivine LiFePO4: the remaining challenges for future energy storage
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Review
ID LITHIUM-ION BATTERIES; HIGH-PERFORMANCE CATHODE; ENHANCED
ELECTROCHEMICAL PERFORMANCE; HYDROTHERMALLY SYNTHESIZED LIFEPO4;
POLYMERIZATION RESTRICTION METHOD; SOLID-SOLUTION PHASES; MELT CASTING
LIFEPO4; X-RAY MICROSCOPY; LI-ION; SODIUM-ION
AB Rechargeable batteries can effectively store electrical energy as chemical energy, and release it when needed, providing a good choice for applications in electric vehicles (EVs). Naturally, safety concerns are the key issue for the application of battery technology in EVs. Olivine LiFePO4 is considered to be the most promising cathode material for lithium-ion batteries due to its environmental friendliness, high cycling performance and safety characteristics. Some important breakthroughs in recent years have allowed its successful commercialization. However, in spite of its success, the commercial application of LiFePO4 batteries in EVs is still hindered by some technological obstacles. Herein, we provide an update on our previous review, and overview the most significant advances in the remaining challenges for this promising battery material. New research directions and future trends have also been discussed.
C1 [Wang, Jiajun; Sun, Xueliang] Univ Western Ontario, Dept Mech & Mat Engn, London, ON N6A 5B9, Canada.
RP Wang, JJ (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA.
EM xsun@eng.uwo.ca
RI Sun, Xueliang/C-7257-2012; wang, jiajun/H-3315-2012; wang,
jiajun/H-5683-2016
FU Nature Sciences and Engineering Research Council of Canada (NSERC);
Canada Research Chair (CRC) Program; Canada Foundation for Innovation
(CFI); Ontario Research Fund (ORF); Canada Light Source (CLS) at
University of Saskatchewan; Canadian Centre for Electron Microscopy
(CCEM) at McMaster University; University of Western Ontario
FX This work was supported by Nature Sciences and Engineering Research
Council of Canada (NSERC), Canada Research Chair (CRC) Program, Canada
Foundation for Innovation (CFI), Ontario Research Fund (ORF), the Canada
Light Source (CLS) at University of Saskatchewan, the Canadian Centre
for Electron Microscopy (CCEM) at McMaster University, and University of
Western Ontario. We gratefully acknowledge Craig Langford and Kaixi Wang
for their help in the discussion and English polishing for this paper.
NR 249
TC 62
Z9 62
U1 61
U2 336
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 2015
VL 8
IS 4
BP 1110
EP 1138
DI 10.1039/c4ee04016c
PG 29
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA CF1AI
UT WOS:000352275500003
ER
PT J
AU Simon, CM
Kim, J
Gomez-Gualdron, DA
Camp, JS
Chung, YG
Martin, RL
Mercado, R
Deem, MW
Gunter, D
Haranczyk, M
Sholl, DS
Snurr, RQ
Smit, B
AF Simon, Cory M.
Kim, Jihan
Gomez-Gualdron, Diego A.
Camp, Jeffrey S.
Chung, Yongchul G.
Martin, Richard L.
Mercado, Rocio
Deem, Michael W.
Gunter, Dan
Haranczyk, Maciej
Sholl, David S.
Snurr, Randall Q.
Smit, Berend
TI The materials genome in action: identifying the performance limits for
methane storage
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; NATURAL-GAS STORAGE; NANOPOROUS MATERIALS;
POROUS MATERIALS; BUILDING UNITS; CARBON-CAPTURE; FORCE-FIELD;
SIMULATIONS; SEPARATIONS; CHALLENGES
AB Analogous to the way the Human Genome Project advanced an array of biological sciences by mapping the human genome, the Materials Genome Initiative aims to enhance our understanding of the fundamentals of materials science by providing the information we need to accelerate the development of new materials. This approach is particularly applicable to recently developed classes of nanoporous materials, such as metal-organic frameworks (MOFs), which are synthesized from a limited set of molecular building blocks that can be combined to generate a very large number of different structures. In this Perspective, we illustrate how a materials genome approach can be used to search for high-performance adsorbent materials to store natural gas in a vehicular fuel tank. Drawing upon recent reports of large databases of existing and predicted nanoporous materials generated in silico, we have collected and compared on a consistent basis the methane uptake in over 650 000 materials based on the results of molecular simulation. The data that we have collected provide candidate structures for synthesis, reveal relationships between structural characteristics and performance, and suggest that it may be difficult to reach the current Advanced Research Project Agency-Energy (ARPA-E) target for natural gas storage.
C1 [Simon, Cory M.; Smit, Berend] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Kim, Jihan] Korea Adv Inst Sci & Technol, Dept Chem & Biomol Engn, Taejon 305701, South Korea.
[Gomez-Gualdron, Diego A.; Chung, Yongchul G.; Snurr, Randall Q.] Northwestern Univ, Dept Chem & Biol Engn, Evanston, IL 60208 USA.
[Camp, Jeffrey S.; Sholl, David S.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA.
[Martin, Richard L.; Gunter, Dan; Haranczyk, Maciej] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
[Mercado, Rocio; Smit, Berend] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Deem, Michael W.] Rice Univ, Dept Bioengn, Houston, TX 77005 USA.
[Deem, Michael W.] Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA.
[Smit, Berend] EPFL, Inst Sci & Ingn Chim Valais, Lab Mol Simulat, CH-1950 Sion, Switzerland.
[Martin, Richard L.] IBM Almaden Res Ctr, Watson Grp, San Jose, CA 95120 USA.
RP Snurr, RQ (reprint author), Northwestern Univ, Dept Chem & Biol Engn, Evanston, IL 60208 USA.
EM snurr@northwestern.edu; Berend-Smit@berkeley.edu
RI Smit, Berend/B-7580-2009; Snurr, Randall/B-6699-2009; Chung,
Yongchul/G-7017-2015; Haranczyk, Maciej/A-6380-2014; Kim,
Jihan/H-8002-2013; Deem, Michael/P-3595-2014;
OI Smit, Berend/0000-0003-4653-8562; Chung, Yongchul/0000-0002-7756-0589;
Haranczyk, Maciej/0000-0001-7146-9568; Deem,
Michael/0000-0002-4298-3450; Simon, Cory/0000-0002-8181-9178
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences and Biosciences [DE-FG02-12ER16362]
FX The research was supported by the U.S. Department of Energy, Office of
Basic Energy Sciences, Division of Chemical Sciences, Geosciences and
Biosciences under Award DE-FG02-12ER16362.
NR 57
TC 49
Z9 50
U1 21
U2 103
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 2015
VL 8
IS 4
BP 1190
EP 1199
DI 10.1039/c4ee03515a
PG 10
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA CF1AI
UT WOS:000352275500006
ER
PT J
AU Guo, SH
Yu, HJ
Liu, P
Ren, Y
Zhang, T
Chen, MW
Ishida, M
Zhou, HS
AF Guo, Shaohua
Yu, Haijun
Liu, Pan
Ren, Yang
Zhang, Tao
Chen, Mingwei
Ishida, Masayoshi
Zhou, Haoshen
TI High-performance symmetric sodium-ion batteries using a new, bipolar
O3-type material, Na0.8Ni0.4Ti0.6O2
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID ENERGY-STORAGE; ELECTROCHEMICAL PROPERTIES; LONG-LIFE; REVERSIBLE
ELECTRODE; POSITIVE ELECTRODE; LITHIUM BATTERIES; SOLID-ELECTROLYTE;
CATHODE MATERIALS; CYCLE LIFE; NA
AB Based on low-cost and rich resources, sodium-ion batteries have been regarded as a promising candidate for next-generation energy storage batteries in the large-scale energy applications of renewable energy and smart grids. However, there are some critical drawbacks limiting its application, such as safety and stability problems. In this work, a stable symmetric sodium-ion battery based on the bipolar, active O3-type material, Na0.8Ni0.4Ti0.6O2, is developed. This bipolar material shows a typical O3-type layered structure, containing two electrochemically active transition metals with redox couples of Ni4+/Ni2+ and Ti4+/Ti3+, respectively. This Na0.8Ni0.4Ti0.6O2-based symmetric cell exhibits a high average voltage of 2.8 V, a reversible discharge capacity of 85 mA h g(-1), 75% capacity retention after 150 cycles and good rate capability. This full symmetric cell will greatly contribute to the development of room-temperature sodium-ion batteries with a view towards safety, low cost and long life, and it will stimulate further research on symmetric cells using the same active materials as both cathode and anode.
C1 [Guo, Shaohua; Yu, Haijun; Zhang, Tao; Zhou, Haoshen] Natl Inst Adv Ind Sci & Technol, Energy Technol Res Inst, Tsukuba, Ibaraki, Japan.
[Guo, Shaohua; Ishida, Masayoshi; Zhou, Haoshen] Univ Tsukuba, Grad Sch Syst & Informat Engn, Tsukuba, Ibaraki 3058573, Japan.
[Liu, Pan; Chen, Mingwei] Tohoku Univ, WPI Adv Inst Mat Res, Sendai, Miyagi 9808577, Japan.
[Ren, Yang] Argonne Natl Lab, Argonne, IL 60439 USA.
[Zhou, Haoshen] Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China.
[Zhou, Haoshen] Nanjing Univ, Dept Energy Sci & Engn, Nanjing 210093, Jiangsu, Peoples R China.
RP Yu, HJ (reprint author), Natl Inst Adv Ind Sci & Technol, Energy Technol Res Inst, Tsukuba, Ibaraki, Japan.
EM haijun-yu@aist.go.jp; hs.zhou@aist.go.jp
RI Chen, Mingwei/A-4855-2010; Liu, Pan/H-5469-2012; Yu, Haijun/J-4981-2014;
郭, 少华/R-8504-2016
OI Chen, Mingwei/0000-0002-2850-8872; Liu, Pan/0000-0002-4063-9605; Yu,
Haijun/0000-0003-0204-9943; 郭, 少华/0000-0003-0818-8354
FU CSC (China Scholarship Council); World-leading Innovative R&D on Science
and Technology; U. S. Department of Energy, Office of Science, Office of
Basic Energy Sciences [DE-AC02-06CH11357]
FX S. H. Guo is grateful for the financial support of the CSC (China
Scholarship Council) scholarship. This work was supported by the
Innovative Basic Research toward Creation of High-performance Battery in
Funding Program for World-leading Innovative R&D on Science and
Technology. 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 61
TC 41
Z9 41
U1 28
U2 118
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 2015
VL 8
IS 4
BP 1237
EP 1244
DI 10.1039/c4ee03361b
PG 8
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA CF1AI
UT WOS:000352275500011
ER
PT J
AU Fang, Y
Liu, C
Leung, LR
AF Fang, Y.
Liu, C.
Leung, L. R.
TI Accelerating the spin-up of the coupled carbon and nitrogen cycle model
in CLM4
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID LEAF-AREA INDEX; STEADY-STATE; LAND MODEL; SOIL BIOGEOCHEMISTRY; USE
EFFICIENCY; ENERGY FLUXES; WATER-VAPOR; ECOSYSTEM; FOREST; DIOXIDE
AB The commonly adopted biogeochemistry spin-up process in an Earth system model (ESM) is to run the model for hundreds to thousands of years subject to periodic atmospheric forcing to reach dynamic steady state of the carbon-nitrogen (CN) models. A variety of approaches have been proposed to reduce the computation time of the spin-up process. Significant improvement in computational efficiency has been made recently. However, a long simulation time is still required to reach the common convergence criteria of the coupled carbon-nitrogen model. A gradient projection method was proposed and used to further reduce the computation time after examining the trend of the dominant carbon pools. The Community Land Model version 4 (CLM4) with a carbon and nitrogen component was used in this study. From point-scale simulations, we found that the method can reduce the computation time by 20-69% compared to one of the fastest approaches in the literature. We also found that the cyclic stability of total carbon for some cases differs from that of the periodic atmospheric forcing, and some cases even showed instability. Close examination showed that one case has a carbon periodicity much longer than that of the atmospheric forcing due to the annual fire disturbance that is longer than half a year. The rest was caused by the instability of water table calculation in the hydrology model of CLM4. The instability issue is resolved after we replaced the hydrology scheme in CLM4 with a flow model for variably saturated porous media.
C1 [Fang, Y.] Pacific NW Natl Lab, Hydrol Grp, Energy & Environm Directorate, Richland, WA 99352 USA.
[Liu, C.] Pacific NW Natl Lab, Geochem Grp, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA.
[Leung, L. R.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA.
RP Fang, Y (reprint author), Pacific NW Natl Lab, Hydrol Grp, Energy & Environm Directorate, Richland, WA 99352 USA.
EM yilin.fang@pnnl.gov
RI Liu, Chongxuan/C-5580-2009; Fang, Yilin/J-5137-2015
FU Pacific Northwest National Laboratory's Laboratory Directed Research and
Development Program; US Department of Energy [DE-AC05-76RL01830]
FX This research has been accomplished through funding support from Pacific
Northwest National Laboratory's Laboratory Directed Research and
Development Program. We thank the North American Carbon Program
Site-Level Interim Synthesis team, the Large Scale Biosphere-Atmosphere
Experiment in Amazonia Model Intercomparison Project team, and the site
investigators for collecting, organizing, and distributing the data
required for this analysis. We thank the anonymous referee and Yiqi Luo
for comments that improved the manuscript. A portion of this research
was performed using PNNL Institutional Computing at Pacific Northwest
National Laboratory. PNNL is operated by Battelle for the US Department
of Energy under contract DE-AC05-76RL01830.
NR 48
TC 0
Z9 0
U1 2
U2 9
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1991-959X
EI 1991-9603
J9 GEOSCI MODEL DEV
JI Geosci. Model Dev.
PY 2015
VL 8
IS 3
BP 781
EP 789
DI 10.5194/gmd-8-781-2015
PG 9
WC Geosciences, Multidisciplinary
SC Geology
GA CE9JM
UT WOS:000352160200016
ER
PT J
AU Lebassi-Habtezion, B
Caldwell, PM
AF Lebassi-Habtezion, B.
Caldwell, P. M.
TI Aerosol specification in single-column Community Atmosphere Model
version 5
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID SOUTHEAST PACIFIC STRATOCUMULUS; SHALLOW CUMULUS CONVECTION; MARINE
STRATOCUMULUS; CLIMATE SIMULATIONS; EFFECTIVE RADIUS; BOUNDARY-LAYER;
CLOUD; PARAMETERIZATION; SENSITIVITY; RADIATION
AB Single-column model (SCM) capability is an important tool for general circulation model development. In this study, the SCM mode of version 5 of the Community Atmosphere Model (CAM5) is shown to handle aerosol initialization and advection improperly, resulting in aerosol, cloud-droplet, and ice crystal concentrations which are typically much lower than observed or simulated by CAM5 in global mode. This deficiency has a major impact on stratiform cloud simulations but has little impact on convective case studies because aerosol is currently not used by CAM5 convective schemes and convective cases are typically longer in duration (so initialization is less important). By imposing fixed aerosol or cloud-droplet and crystal number concentrations, the aerosol issues described above can be avoided. Sensitivity studies using these idealizations suggest that the Meyers et al. (1992) ice nucleation scheme prevents mixed-phase cloud from existing by producing too many ice crystals. Microphysics is shown to strongly deplete cloud water in stratiform cases, indicating problems with sequential splitting in CAM5 and the need for careful interpretation of output from sequentially split climate models. Droplet concentration in the general circulation model (GCM) version of CAM5 is also shown to be far too low (similar to 25 cm(-3)) at the southern Great Plains (SGP) Atmospheric Radiation Measurement (ARM) site.
C1 [Lebassi-Habtezion, B.; Caldwell, P. M.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
RP Caldwell, PM (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA.
EM caldwell19@llnl.gov
FU Lawrence Livermore National Laboratory (LLNL) through the Multiscale
Scientific Discovery through Advanced Computing (SciDAC) project; United
States Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]
FX We thank the Lawrence Livermore National Laboratory (LLNL) for providing
funding through the Multiscale Scientific Discovery through Advanced
Computing (SciDAC) project. The research was performed under the
auspices of the United States Department of Energy by Lawrence Livermore
National Laboratory under contract DE-AC52-07NA27344.
NR 46
TC 1
Z9 1
U1 1
U2 7
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1991-959X
EI 1991-9603
J9 GEOSCI MODEL DEV
JI Geosci. Model Dev.
PY 2015
VL 8
IS 3
BP 817
EP 828
DI 10.5194/gmd-8-817-2015
PG 12
WC Geosciences, Multidisciplinary
SC Geology
GA CE9JM
UT WOS:000352160200019
ER
PT J
AU Nasirian, A
Cortes, DD
Dai, S
AF Nasirian, A.
Cortes, D. D.
Dai, S.
TI The physical nature of thermal conduction in dry granular media
SO GEOTECHNIQUE LETTERS
LA English
DT Article
DE geophysics; laboratory tests; sands
ID ENERGY GEOTECHNOLOGY; HEAT-CONDUCTION; RESISTIVITY; SOILS; BEDS
AB This paper documents the results of a laboratory experimental study conducted to explore the relative contributions of phonon and electron heat conduction in an electrically conductive granular material under increasing confining stresses. The thermal conductivity of Ottawa sand under increasing confinement was also studied to offer a baseline for comparison. Simultaneous measurements of thermal conductivity, electrical conductivity and p-wave velocity were used to develop a parallel conduction model capable of predicting the thermal conductivity of dry granular media. The results suggest that the thermal conductivity of dry granular media is governed by the stiffness of the packing, regardless of whether it is electrically conductive or not. Furthermore, p-wave velocity measurements can be used to estimate the thermal conductivity of electrically conductive (granular lead) and non-conductive (Ottawa sand) granular media.
C1 [Nasirian, A.; Cortes, D. D.] New Mexico State Univ, Dept Civil Engn, Las Cruces, NM 88003 USA.
[Dai, S.] US DOE, Natl Energy Technol Lab, Morgantown, WV USA.
RP Nasirian, A (reprint author), New Mexico State Univ, Dept Civil Engn, Las Cruces, NM 88003 USA.
RI Cortes, Douglas/A-7879-2013
FU College of Engineering; Civil Engineering Department of New Mexico State
University
FX Support for this research was provided by start-up funding from the
College of Engineering and the Civil Engineering Department of New
Mexico State University.
NR 31
TC 3
Z9 3
U1 0
U2 15
PU ICE PUBLISHING
PI WESTMINISTER
PA INST CIVIL ENGINEERS, 1 GREAT GEORGE ST, WESTMINISTER SW 1P 3AA, ENGLAND
SN 2049-825X
EI 2045-2543
J9 GEOTECH LETT
JI Geotech. Lett.
PD JAN
PY 2015
VL 5
IS 1
BP 1
EP 5
DI 10.1680/geolett.14.00073
PG 5
WC Engineering, Geological
SC Engineering
GA CF6FX
UT WOS:000352653600001
ER
PT J
AU Harper-Slaboszewicz, VJ
Leckbee, J
Bennett, N
Madrid, EA
Rose, DV
Thoma, C
Welch, DR
Lake, PW
McCourt, AL
AF Harper-Slaboszewicz, Victor J.
Leckbee, Joshua
Bennett, Nichelle
Madrid, Elizabeth A.
Rose, David V.
Thoma, Carsten
Welch, Dale R.
Lake, Patrick W.
McCourt, Andrew L.
TI Parallel Operation of Multiple Closely Spaced Small Aspect Ratio Rod
Pinches
SO IEEE TRANSACTIONS ON PLASMA SCIENCE
LA English
DT Article
DE Rod pinch
ID PARTICLE-IN-CELL; ELECTRON FLOW; RADIOGRAPHY SOURCE; DIODE; TRANSPORT;
PLASMA; MV; PROPAGATION; SIMULATION; POWER
AB A series of simulations and experiments to resolve questions about the operation of arrays of closely spaced small aspect ratio rod pinches has been performed. Design and postshot analysis of the experimental results are supported by 3-D particle-in-cell simulations. Both simulations and experiments support these conclusions. Penetration of current to the interior of the array appears to be efficient, as the current on the center rods is essentially equal to the current on the outer rods. Current loss in the feed due to the formation of magnetic nulls was avoided in these experiments by design of the feed surface of the cathode and control of the gap to keep the electric fields on the cathode below the emission threshold. Some asymmetry in the electron flow to the rod was observed, but the flow appeared to symmetrize as it reached the end of the rod. Interaction between the rod pinches can be controlled to allow the stable and consistent operation of arrays of rod pinches.
C1 [Harper-Slaboszewicz, Victor J.; Leckbee, Joshua; Lake, Patrick W.; McCourt, Andrew L.] Sandia Natl Labs, Albuquerque, NM 87123 USA.
[Bennett, Nichelle] Natl Secur Technol LLC, Las Vegas, NV 89030 USA.
[Madrid, Elizabeth A.; Rose, David V.; Thoma, Carsten; Welch, Dale R.] Voss Sci LLC, Albuquerque, NM 87108 USA.
RP Harper-Slaboszewicz, VJ (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA.
EM vjharpe@sandia.gov; jjleckb@sandia.gov; nlbenne@sandia.gov;
elizabethm@vosssci.com; davidr@vosssci.com; carstent@vosssci.com;
dalew@vosssci.com; pwlake@sandia.gov; almccou@sandia.gov
FU Laboratory Directed Research and Development Program through Sandia
National Laboratories; U.S. Department of Energy within the National
Nuclear Security Administration [DE-AC04-94AL85000]
FX This work was supported by the Laboratory Directed Research and
Development Program through Sandia National Laboratories. Sandia
National Laboratories is a Multiprogram Laboratory managed and operated
by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin
Corporation, through the U.S. Department of Energy within the National
Nuclear Security Administration under Contract DE-AC04-94AL85000.
NR 23
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 0093-3813
EI 1939-9375
J9 IEEE T PLASMA SCI
JI IEEE Trans. Plasma Sci.
PD JAN
PY 2015
VL 43
IS 1
BP 422
EP 432
DI 10.1109/TPS.2014.2376272
PN 3
PG 11
WC Physics, Fluids & Plasmas
SC Physics
GA CE8HQ
UT WOS:000352083000006
ER
PT S
AU Ivanshin, VA
Litvinova, TO
Gimranova, K
Sukhanov, AA
Jia, S
Bud'ko, SL
Canfield, PC
AF Ivanshin, V. A.
Litvinova, T. O.
Gimranova, K.
Sukhanov, A. A.
Jia, S.
Bud'ko, S. L.
Canfield, P. C.
BE Zhitomirsky, M
DeReotier, PD
TI Dual nature of 3d electrons in YbT2Zn20 (T = Co; Fe) evidenced by
electron spin resonance
SO INTERNATIONAL CONFERENCE ON STRONGLY CORRELATED ELECTRON SYSTEMS 2014
(SCES2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT International Conference on Strongly Correlated Electron Systems (SCES)
CY JUL 07-14, 2014
CL Univ Grenoble, Grenoble, FRANCE
HO Univ Grenoble
ID COMPOUND; IR
AB The electron spin resonance experiments were carried out in the single crystals YbFe2Zn20. The observed spin dynamics is compared with that in YbFe2Zn20 and YbFe2Zn20 as well as with the data of inelastic neutron scattering and electronic band structure calculations. Our results provide direct evidence that 3d electrons are itinerant in YbFe2Zn20 and localized in YbFe2Zn20. Possible connection between spin paramagnetism of dense heavy fermion systems, quantum criticality effects, and ESR spectra is discussed.
C1 [Ivanshin, V. A.; Litvinova, T. O.; Gimranova, K.] Kazan Volga Reg Fed Univ, Kazan 420008, Russia.
[Sukhanov, A. A.] Zavoisky Phys Tech Inst, Kazan 420029, Russia.
[Jia, S.; Bud'ko, S. L.; Canfield, P. C.] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA.
[Jia, S.; Bud'ko, S. L.; Canfield, P. C.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
RP Ivanshin, VA (reprint author), Kazan Volga Reg Fed Univ, Kremlevskaya Str 18, Kazan 420008, Russia.
EM Vladimir.Ivanshin@kpfu.ru
OI Sukhanov, Andrey/0000-0001-8927-3715
NR 25
TC 0
Z9 0
U1 0
U2 6
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 592
AR 012084
DI 10.1088/1742-6596/592/1/012084
PG 6
WC Physics, Atomic, Molecular & Chemical; Physics, Multidisciplinary
SC Physics
GA BC4BG
UT WOS:000352239200084
ER
PT S
AU Jeffries, JR
Butch, NP
Vohra, YK
Weir, ST
AF Jeffries, J. R.
Butch, N. P.
Vohra, Y. K.
Weir, S. T.
BE Zhitomirsky, M
DeReotier, PD
TI Pressure evolution of electrical transport in the 3D topological
insulator (Bi,Sb)(2)(Se,Te)(3)
SO INTERNATIONAL CONFERENCE ON STRONGLY CORRELATED ELECTRON SYSTEMS 2014
(SCES2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT International Conference on Strongly Correlated Electron Systems (SCES)
CY JUL 07-14, 2014
CL Univ Grenoble, Grenoble, FRANCE
HO Univ Grenoble
ID SB2TE3
AB The group V-VI compounds-like Bi2Se3, Sb2Te3, or Bi2Te3-have been widely studied in recent years for their bulk topological properties. The high-Z members of this series form with the same crystal structure, and are therefore amenable to isostructural substitution studies. It is possible to tune the Bi-Sb and Te-Se ratios such that the material exhibits insulating behavior, thus providing an excellent platform for understanding how a topological insulator evolves with applied pressure. We report our observations of the pressure-dependent electrical transport and crystal structure of a pseudobinary (Bi, Sb)(2)(Te, Se)(3) compound. Similar to some of its sister compounds, the (Bi, Sb)(2)(Te, Se)(3) pseudobinary compound undergoes multiple, pressure-induced phase transformations that result in metallization, the onset of a close-packed crystal structure, and the development of distinct superconducting phases.
C1 [Jeffries, J. R.; Butch, N. P.; Weir, S. T.] Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA.
[Butch, N. P.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA.
[Vohra, Y. K.] Univ Alabama Birmingham, Dept Phys, Birmingham, AL 35294 USA.
RP Jeffries, JR (reprint author), Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA 94550 USA.
EM jeffries4@llnl.gov
NR 16
TC 0
Z9 0
U1 4
U2 19
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 592
AR 012124
DI 10.1088/1742-6596/592/1/012124
PG 5
WC Physics, Atomic, Molecular & Chemical; Physics, Multidisciplinary
SC Physics
GA BC4BG
UT WOS:000352239200124
ER
PT S
AU Okamura, H
Takigawa, A
Bauer, ED
Moriwaki, T
Ikemoto, Y
AF Okamura, H.
Takigawa, A.
Bauer, E. D.
Moriwaki, T.
Ikemoto, Y.
BE Zhitomirsky, M
DeReotier, PD
TI Pressure evolution of f electron hybridized state in CeCoIn5 studied by
optical conductivity
SO INTERNATIONAL CONFERENCE ON STRONGLY CORRELATED ELECTRON SYSTEMS 2014
(SCES2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT International Conference on Strongly Correlated Electron Systems (SCES)
CY JUL 07-14, 2014
CL Univ Grenoble, Grenoble, FRANCE
HO Univ Grenoble
AB Optical conductivity sigma(omega) of CeCoIn5 has been measured under high pressure to 8 GPa and at low temperatures to 6 K, to study the pressure evolution of the conduction (c)-f electron hybridized state near the Fermi level. At ambient pressure, CeCoIn5 is a heavy fermion superconductor with T-c=2.3 K, and has moderately strong c-f hybridization. sigma(omega) at ambient pressure shows a marked infrared peak due to optical excitations involving the c-f hybridized state. With increasing pressure, the infrared peak becomes broader, and its center shifts to higher energy. This result indicates that the large density of states of the c-f hybridized state becomes broader with increasing pressure, and that the peak of the density of states shifts away from the Fermi level. Althouth such pressure evolution of the c-f hybridized state had been widely assumed on the basis of theoretical consideration, the present optical result demonstrates it clearly and directly.
C1 [Okamura, H.; Takigawa, A.] Kobe Univ, Grad Sch Sci, Dept Phys, Kobe, Hyogo 6578501, Japan.
[Bauer, E. D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Moriwaki, T.; Ikemoto, Y.] Japan Synchrotron Radiat Res Inst, Sayo 6795198, Japan.
RP Okamura, H (reprint author), Kobe Univ, Grad Sch Sci, Dept Phys, Kobe, Hyogo 6578501, Japan.
EM okamura@kobe-u.ac.jp
OI Bauer, Eric/0000-0003-0017-1937
NR 22
TC 3
Z9 3
U1 1
U2 7
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 592
AR 012001
DI 10.1088/1742-6596/592/1/012001
PG 5
WC Physics, Atomic, Molecular & Chemical; Physics, Multidisciplinary
SC Physics
GA BC4BG
UT WOS:000352239200001
ER
PT S
AU Ronning, F
Zhu, JX
AF Ronning, F.
Zhu, J. -X.
BE Zhitomirsky, M
DeReotier, PD
TI Electronic structure of U2PtC2 and U2RhC2
SO INTERNATIONAL CONFERENCE ON STRONGLY CORRELATED ELECTRON SYSTEMS 2014
(SCES2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT International Conference on Strongly Correlated Electron Systems (SCES)
CY JUL 07-14, 2014
CL Univ Grenoble, Grenoble, FRANCE
HO Univ Grenoble
ID HEAVY FERMIONS; SYSTEMS; CARBIDES
AB We present density functional theory calculations within the generalized gradient approximation of U2RhC2 and U2PtC2. We find the calculated density of states are significantly less than that measured by specific heat indicating the need for electronic correlations. The mass enhancement found for U2PtC2 is m*/m(band) approximate to 4.
C1 [Ronning, F.; Zhu, J. -X.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA.
RP Ronning, F (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA.
EM fronning@lanl.gov
OI Ronning, Filip/0000-0002-2679-7957
NR 21
TC 1
Z9 1
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 592
AR 012037
DI 10.1088/1742-6596/592/1/012037
PG 5
WC Physics, Atomic, Molecular & Chemical; Physics, Multidisciplinary
SC Physics
GA BC4BG
UT WOS:000352239200037
ER
PT S
AU Schaab, J
Trassin, M
Scholl, A
Doran, A
Yan, Z
Bourret, E
Ramesh, R
Meier, D
AF Schaab, J.
Trassin, M.
Scholl, A.
Doran, A.
Yan, Z.
Bourret, E.
Ramesh, R.
Meier, D.
BE Zhitomirsky, M
DeReotier, PD
TI Ferroelectric domains in the multiferroic phase of ErMnO3 imaged by
low-temperature photoemission electron microscopy
SO INTERNATIONAL CONFERENCE ON STRONGLY CORRELATED ELECTRON SYSTEMS 2014
(SCES2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT International Conference on Strongly Correlated Electron Systems (SCES)
CY JUL 07-14, 2014
CL Univ Grenoble, Grenoble, FRANCE
HO Univ Grenoble
ID WALLS; YMNO3; MANGANITE
AB Low-temperature photoemission electron microscopy (PEEM) is used to image and compare the distribution of ferroelectric domains in multiferroic ErMnO3 above and below the magnetic ordering temperature (T-N = 80 K). Our temperature-dependent PEEM data demonstrate that the ferroelectric domain structure is robust against the onset of magnetic long-range order and the emergence of antiferromagnetic domains. The observed persistence indicates that antiferromagnetic domain walls adopt the position of ferroelectric walls - and not vice versa - developing a multiferroic domain-wall pattern congruent with the ferroelectric domain-wall distribution observed above T-N.
C1 [Schaab, J.; Trassin, M.; Meier, D.] ETH, Dept Mat, CH-8093 Zurich, Switzerland.
[Scholl, A.; Doran, A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Yan, Z.; Bourret, E.; Ramesh, R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Ramesh, R.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
RP Schaab, J (reprint author), ETH, Dept Mat, CH-8093 Zurich, Switzerland.
EM dennis.meier@mat.ethz.ch
RI Scholl, Andreas/K-4876-2012
NR 26
TC 1
Z9 1
U1 4
U2 43
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 592
AR 012120
DI 10.1088/1742-6596/592/1/012120
PG 5
WC Physics, Atomic, Molecular & Chemical; Physics, Multidisciplinary
SC Physics
GA BC4BG
UT WOS:000352239200120
ER
PT J
AU Stoyanov, M
Webster, CG
AF Stoyanov, M.
Webster, C. G.
TI A GRADIENT-BASED SAMPLING APPROACH FOR DIMENSION REDUCTION OF PARTIAL
DIFFERENTIAL EQUATIONS WITH STOCHASTIC COEFFICIENTS
SO INTERNATIONAL JOURNAL FOR UNCERTAINTY QUANTIFICATION
LA English
DT Article
DE representation of uncertainty; stochastic model reduction method;
stochastic sensitivity analysis; high-dimensional approximation;
stochastic partial differential equations; Karhunen-Loeve expansion;
Monte Carlo
ID RANDOM INPUT DATA; COLLOCATION METHOD; SPARSE; INTERPOLATION;
UNCERTAINTY
AB We develop a projection-based dimension reduction approach for partial differential equations with high-dimensional stochastic coefficients. This technique uses samples of the gradient of the quantity of interest (QoI) to partition the uncertainty domain into "active" and "passive" subspaces. The passive subspace is characterized by near-constant behavior of the quantity of interest, while the active subspace contains the most important dynamics of the stochastic system. We also present a procedure to project the model onto the low-dimensional active subspace that enables the resulting approximation to be solved using conventional techniques. Unlike the classical Karhunen-Loeve expansion, the advantage of this approach is that it is applicable to fully nonlinear problems and does not require any assumptions on the correlation between the random inputs. This work also provides a rigorous convergence analysis of the quantity of interest and demonstrates: at least linear convergence with respect to the number of samples. It also shows that the convergence rate is independent of the number of input random variables. Thus, applied to a reducible problem, our approach can approximate the statistics of the QoI to within desired error tolerance at a cost that is orders of magnitude lower than standard Monte Carlo. Finally, several numerical examples demonstrate the feasibility of our approach and are used to illustrate the theoretical results. In particular, we validate our convergence estimates through the application of this approach to a reactor criticality problem with a large number of random cross-section parameters.
C1 [Stoyanov, M.; Webster, C. G.] Oak Ridge Natl Lab, Comp Sci & Math Div, Appl Math Grp, Oak Ridge, TN 37831 USA.
RP Webster, CG (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Appl Math Grp, 1 Bethel Valley Rd,POB 2008, Oak Ridge, TN 37831 USA.
EM webstercg@ornl.gov
FU Office of Science of the US Department of Energy [ERKJE45]; US Air Force
Office of Scientific Research [1854-V521-12]; Lab- oratory Directed
Research and Development program at the Oak Ridge National Laboratory
(ORNL); US Department of Energy [DE-AC05-00OR22725]
FX The preparation of the article was supported in part by the Office of
Science of the US Department of Energy under grant number ERKJE45; by
the US Air Force Office of Scientific Research under grant number
1854-V521-12; and by the Lab- oratory Directed Research and Development
program at the Oak Ridge National Laboratory (ORNL). The ORNL is
operated by UT-Battelle, LLC, for the US Department of Energy under
Contract DE-AC05-00OR22725.
NR 35
TC 1
Z9 1
U1 0
U2 0
PU BEGELL HOUSE INC
PI DANBURY
PA 50 NORTH ST, DANBURY, CT 06810 USA
SN 2152-5080
EI 2152-5099
J9 INT J UNCERTAIN QUAN
JI Int. J. Uncertain. Quantif.
PY 2015
VL 5
IS 1
BP 49
EP 72
DI 10.1615/Int.J.UncertaintyQuantification.2014010945
PG 24
WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary
Applications
SC Engineering; Mathematics
GA CF6YB
UT WOS:000352701700003
ER
PT J
AU Devan, RS
Ma, YR
Kim, JH
Bhattacharya, RN
Ghosh, KC
AF Devan, Rupesh S.
Ma, Yuan-Ron
Kim, Jin-Hyeok
Bhattacharya, Raghu N.
Ghosh, Kartik C.
TI Functional Nanomaterials for Energy Applications
SO JOURNAL OF NANOMATERIALS
LA English
DT Editorial Material
C1 [Devan, Rupesh S.] Univ Pune, Dept Phys, Pune 411007, Maharashtra, India.
[Ma, Yuan-Ron] Natl Dong Hwa Univ, Dept Phys, Hualien 97401, Taiwan.
[Kim, Jin-Hyeok] Chonnam Natl Univ, Dept Mat Sci & Engn, Gwangju 500757, South Korea.
[Bhattacharya, Raghu N.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Ghosh, Kartik C.] SW Missouri State Univ, Dept Phys Astron & Mat Sci, Springfield, MO 65897 USA.
RP Devan, RS (reprint author), Univ Pune, Dept Phys, Pune 411007, Maharashtra, India.
EM devan_rs@yahoo.co.in; ronma@mail.ndhu.edu.tw
RI Devan, Rupesh/E-1883-2011
OI Devan, Rupesh/0000-0001-9550-7506
NR 0
TC 0
Z9 0
U1 1
U2 5
PU HINDAWI PUBLISHING CORPORATION
PI NEW YORK
PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA
SN 1687-4110
EI 1687-4129
J9 J NANOMATER
JI J. Nanomater.
PY 2015
AR 131965
DI 10.1155/2015/131965
PG 2
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
SC Science & Technology - Other Topics; Materials Science
GA CF2XM
UT WOS:000352411100001
ER
PT J
AU Millet, LJ
Lucheon, JD
Standaert, RF
Retterer, ST
Doktycz, MJ
AF Millet, L. J.
Lucheon, J. D.
Standaert, R. F.
Retterer, S. T.
Doktycz, M. J.
TI Modular microfluidics for point-of-care protein purifications
SO LAB ON A CHIP
LA English
DT Article
ID LIQUID-CHROMATOGRAPHY; MASS-SPECTROMETRY; DRUG DISCOVERY; SEPARATION;
DEVICE; SYSTEMS; EXPRESSION; SELECTION; NEURONS; BINDING
AB Biochemical separations are the heart of diagnostic assays and purification methods for biologics. On-chip miniaturization and modularization of separation procedures will enable the development of customized, portable devices for personalized health-care diagnostics and point-of-use production of treatments. In this report, we describe the design and fabrication of miniature ion exchange, size exclusion and affinity chromatography modules for on-chip clean-up of recombinantly-produced proteins. Our results demonstrate that these common separations techniques can be implemented in microfluidic modules with performance comparable to conventional approaches. We introduce embedded 3-D microfluidic interconnects for integrating micro-scale separation modules that can be arranged and reconfigured to suit a variety of fluidic operations or biochemical processes. We demonstrate the utility of the modular approach with a platform for the enrichment of enhanced green fluorescent protein (eGFP) from Escherichia coli lysate through integrated affinity and size-exclusion chromatography modules.
C1 [Millet, L. J.; Lucheon, J. D.; Standaert, R. F.; Retterer, S. T.; Doktycz, M. J.] Oak Ridge Natl Lab, Biosci Div, Biol & Nanoscale Syst Grp, Oak Ridge, TN 37831 USA.
[Millet, L. J.; Standaert, R. F.; Retterer, S. T.; Doktycz, M. J.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Millet, LJ (reprint author), Oak Ridge Natl Lab, Biosci Div, Biol & Nanoscale Syst Grp, POB 2008 MS 6445, Oak Ridge, TN 37831 USA.
EM milletlj@ornl.gov
RI Retterer, Scott/A-5256-2011; Standaert, Robert/D-9467-2013; Doktycz,
Mitchel/A-7499-2011;
OI Retterer, Scott/0000-0001-8534-1979; Standaert,
Robert/0000-0002-5684-1322; Doktycz, Mitchel/0000-0003-4856-8343;
Millet, Larry /0000-0001-6443-2505
FU DARPA award [HR001134005]; UT-Battelle, LLC [DE-AC05-00OR22725];
Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy
FX We express gratitude and appreciation to Carmen Foster, Stephen Foster,
and Cathy Gaudreau for their assistance and administrative support. We
express appreciation to John Dresios and Henri Sasmore at Leidos for
helpful discussions. This work was supported by DARPA award HR001134005.
The views expressed are those of the authors and do not reflect the
official policy or position of the Department of Defense or the U.S.
Government. This research was performed at Oak Ridge National Laboratory
(ORNL). ORNL is managed by UT-Battelle, LLC, for the US Department of
Energy Under contract DE-AC05-00OR22725. A portion of this research was
conducted at the Center for Nanophase Materials Sciences, which is
sponsored at Oak Ridge National Laboratory by the Scientific User
Facilities Division, Office of Basic Energy Sciences, U.S. Department of
Energy.
NR 38
TC 8
Z9 8
U1 9
U2 55
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 2015
VL 15
IS 8
BP 1799
EP 1811
DI 10.1039/c5lc00094g
PG 13
WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience
& Nanotechnology
SC Biochemistry & Molecular Biology; Chemistry; Science & Technology -
Other Topics
GA CE8JM
UT WOS:000352088400002
PM 25740172
ER
PT J
AU Nallathamby, PD
Mortensen, NP
Palko, HA
Malfatti, M
Smith, C
Sonnett, J
Doktycz, MJ
Gu, BH
Roeder, RK
Wang, W
Retterer, ST
AF Nallathamby, Prakash D.
Mortensen, Ninell P.
Palko, Heather A.
Malfatti, Mike
Smith, Catherine
Sonnett, James
Doktycz, Mitchel J.
Gu, Baohua
Roeder, Ryan K.
Wang, Wei
Retterer, Scott T.
TI New surface radiolabeling schemes of super paramagnetic iron oxide
nanoparticles (SPIONs) for biodistribution studies
SO NANOSCALE
LA English
DT Article
ID ACCELERATOR MASS-SPECTROMETRY; IN-VITRO; DRUG-DELIVERY; MAGNETIC
NANOPARTICLES; CANCER-THERAPY; TOXICITY; DESIGN; CELLS; LUNG;
PHARMACOKINETICS
AB Nanomaterial based drug delivery systems allow for the independent tuning of the surface chemical and physical properties that affect their biodistribution in vivo and the therapeutic payloads that they are intended to deliver. Additionally, the added therapeutic and diagnostic value of their inherent material properties often provides extra functionality. Iron based nanomaterials with their magnetic properties and easily tailorable surface chemistry are of particular interest as model systems. In this study the core radius of the iron oxide nanoparticles (NPs) was 14.08 +/- 3.92 nm while the hydrodynamic radius of the NPs, as determined by Dynamic Light Scattering (DLS), was between 90-110 nm. In this study, different approaches were explored to create radiolabeled NPs that are stable in solution. The NPs were functionalized with polycarboxylate or polyamine surface functional groups. Polycarboxylate functionalized NPs had a zeta potential of -35 mV and polyamine functionalized NPs had a zeta potential of +40 mV. The polycarboxylate functionalized NPs were chosen for in vivo biodistribution studies and hence were radiolabeled with C-14, with a final activity of 0.097 nCi mg(-1) of NPs. In chronic studies, the biodistribution profile is tracked using low level radiolabeled proxies of the nanoparticles of interest. Conventionally, these radiolabeled proxies are chemically similar but not chemically identical to the non-radiolabeled NPs of interest. This study is novel as different approaches were explored to create radiolabeled NPs that are stable, possess a hydrodynamic radius of <100 nm and most importantly they exhibit an identical surface chemical functionality as their non-radiolabeled counterparts. Identical chemical functionality of the radiolabeled probes to the non-radiolabeled probes was an important consideration to generate statistically similar biodistribution data sets using multiple imaging and detection techniques. The radiolabeling approach described here is applicable to the synthesis of a large class of nanomaterials with multiple core and surface functionalities. This work combined with the biodistribution data suggests that the radiolabeling schemes carried out in this study have broad implications for use in pharmacokinetic studies for a variety of nanomaterials.
C1 [Nallathamby, Prakash D.; Palko, Heather A.; Smith, Catherine; Sonnett, James] Battelle Mem Inst, Battelle Ctr Fundamental & Appl Syst Toxicol, Columbus, OH 43201 USA.
[Nallathamby, Prakash D.; Mortensen, Ninell P.; Doktycz, Mitchel J.; Gu, Baohua; Wang, Wei; Retterer, Scott T.] Oak Ridge Natl Lab, Biol & Environm Sci Div, Oak Ridge, TN 37831 USA.
[Palko, Heather A.; Malfatti, Mike] Lawrence Livermore Natl Lab, Phys & Life Sci, Biosci & Biotechnol Div, Livermore, CA 94550 USA.
[Nallathamby, Prakash D.; Roeder, Ryan K.] Univ Notre Dame, Dept Aerosp & Mech Engn, Bioengn Grad Program, Notre Dame, IN 46556 USA.
RP Nallathamby, PD (reprint author), Battelle Mem Inst, Battelle Ctr Fundamental & Appl Syst Toxicol, 505 King Ave, Columbus, OH 43201 USA.
EM pnallath@nd.edu; wangw@ornl.gov; rettererst@ornl.gov
RI Roeder, Ryan/A-9398-2008; Wang, Wei/B-5924-2012; Retterer,
Scott/A-5256-2011; Gu, Baohua/B-9511-2012; Doktycz, Mitchel/A-7499-2011
OI Roeder, Ryan/0000-0003-1576-6570; Retterer, Scott/0000-0001-8534-1979;
Gu, Baohua/0000-0002-7299-2956; Doktycz, Mitchel/0000-0003-4856-8343
FU B-FAST, Battelle Center for Fundamental and Applied Systems Toxicology,
Multi-Scale Toxicity Initiative; U.S. Department of Energy
[DE-AC05-00OR22725]; Division of Scientific User Facilities; NSF
[DMR-1309587]
FX This research was supported by the B-FAST, Battelle Center for
Fundamental and Applied Systems Toxicology, Multi-Scale Toxicity
Initiative. This manuscript has been authored by UT-Battelle, LLC under
Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. Dr.
Nallathamby would like to acknowledge material support through proposal
#CNMS2013-153, from the Center for Nanophase Materials Sciences, which
is sponsored at Oak Ridge National Laboratory by the Division of
Scientific User Facilities. We acknowledge the Notre Dame Integrated
Imaging Facility (NDIFF) for the use of transmission electron
microscopy. Instrument time at NDIIF was funded by Dr. Roeder through
NSF DMR-1309587. 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 58
TC 7
Z9 7
U1 4
U2 28
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 2015
VL 7
IS 15
BP 6545
EP 6555
DI 10.1039/c4nr06441k
PG 11
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CF1BC
UT WOS:000352277500020
PM 25790032
ER
PT J
AU Guillot, SL
Mistry, KS
Avery, AD
Richard, J
Dowgiallo, AM
Ndione, PF
van de Lagemaat, J
Reese, MO
Blackburn, JL
AF Guillot, Sarah L.
Mistry, Kevin S.
Avery, Azure D.
Richard, Jonah
Dowgiallo, Anne-Marie
Ndione, Paul F.
van de Lagemaat, Jao
Reese, Matthew O.
Blackburn, Jeffrey L.
TI Precision printing and optical modeling of ultrathin SWCNT/C-60
heterojunction solar cells
SO NANOSCALE
LA English
DT Article
ID WALLED CARBON NANOTUBES; THIN-FILM PHOTOVOLTAICS; QUANTUM EFFICIENCY;
EXCITON DIFFUSION; CHARGE GENERATION; TRANSPARENT; TRANSISTORS;
COMPOSITES; ELEMENTS; SPECTRA
AB Semiconducting single-walled carbon nanotubes (s-SWCNTs) are promising candidates as the active layer in photovoltaics (PV), particularly for niche applications where high infrared absorbance and/or semi-transparent solar cells are desirable. Most current fabrication strategies for SWCNT PV devices suffer from relatively high surface roughness and lack nanometer-scale deposition precision, both of which may hamper the reproducible production of ultrathin devices. Additionally, detailed optical models of SWCNT PV devices are lacking, due in part to a lack of well-defined optical constants for high-purity s-SWCNT thin films. Here, we present an optical model that accurately reconstructs the shape and magnitude of spectrally resolved external quantum efficiencies for ultrathin (7,5) s-SWCNT/C-60 solar cells that are deposited by ultrasonic spraying. The ultrasonic spraying technique enables thickness tuning of the s-SWCNT layer with nanometer-scale precision, and consistently produces devices with low s-SWCNT film average surface roughness (R-q of <5 nm). Our optical model, based entirely on measured optical constants of each layer within the device stack, enables quantitative predictions of thickness-dependent relative photocurrent contributions of SWCNTs and C-60 and enables estimates of the exciton diffusion lengths within each layer. These results establish routes towards rational performance improvements and scalable fabrication processes for ultra-thin SWCNT-based solar cells.
C1 [Guillot, Sarah L.] Univ Wisconsin, Madison, WI USA.
[Mistry, Kevin S.; Avery, Azure D.; Richard, Jonah; Dowgiallo, Anne-Marie; Ndione, Paul F.; van de Lagemaat, Jao; Reese, Matthew O.; Blackburn, Jeffrey L.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Blackburn, JL (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM Jeffrey.Blackburn@nrel.gov
RI van de Lagemaat, Jao/J-9431-2012; Ndione, Paul/O-6152-2015;
OI Ndione, Paul/0000-0003-4444-2938; Guillot, Sarah/0000-0003-0887-897X
FU NREL's Laboratory Directed Research and Development (LDRD) program
FX This work was funded by the NREL's Laboratory Directed Research and
Development (LDRD) program.
NR 41
TC 13
Z9 13
U1 6
U2 35
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 2015
VL 7
IS 15
BP 6556
EP 6566
DI 10.1039/c5nr00205b
PG 11
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CF1BC
UT WOS:000352277500021
PM 25790468
ER
PT J
AU Lucena, AF
Lourenco, C
Michelini, MC
Rutkowski, PX
Carretas, JM
Zorz, N
Berthon, L
Dias, A
Oliveira, MC
Gibson, JK
Marcalo, J
AF Lucena, Ana F.
Lourenco, Celia
Michelini, Maria C.
Rutkowski, Philip X.
Carretas, Jose M.
Zorz, Nicole
Berthon, Laurence
Dias, Ana
Conceicao Oliveira, M.
Gibson, John K.
Marcalo, Joaquim
TI Synthesis and hydrolysis of gas-phase lanthanide and actinide oxide
nitrate complexes: a correspondence to trivalent metal ion redox
potentials and ionization energies
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID STANDARD ELECTRODE-POTENTIALS; THERMAL-DECOMPOSITION; SPRAY-PYROLYSIS;
NICKEL NITRATE; THERMODYNAMIC PREDICTIONS; MASS-SPECTROMETRY;
OXIDATION-STATES; BASIS-SETS; AQUO IONS; HEXAHYDRATE
AB Several lanthanide and actinide tetranitrate ions, M-III(NO3)(4)(-), were produced by electrospray ionization and subjected to collision induced dissociation in quadrupole ion trap mass spectrometers. The nature of the MO(NO3)(3)(-)products that result from NO2 elimination was evaluated by measuring the relative hydrolysis rates under thermalized conditions. Based on the experimental results it is inferred that the hydrolysis rates relate to the intrinsic stability of the M-IV oxidation states, which correlate with both the solution IV/III reduction potentials and the fourth ionization energies. Density functional theory computations of the energetics of hydrolysis and atoms-in-molecules bonding analysis of representative oxide and hydroxide nitrates substantiate the interpretations. The results allow differentiation between those MO(NO3)(3)(-) that comprise an O2- ligand with oxidation to M-IV and those that comprise a radical O- ligand with retention of the M-III oxidation state. In the particular cases of MO(NO3)(3)(-) for M = Pr, Nd and Tb it is proposed that the oxidation states are intermediate between M(III) and M(IV).
C1 [Lucena, Ana F.; Lourenco, Celia; Carretas, Jose M.; Marcalo, Joaquim] Univ Lisbon, Inst Super Tecn, Ctr Ciencias & Tecnol Nucl, P-2695066 Bobadela Lrs, Portugal.
[Michelini, Maria C.] Univ Calabria, Dipartimento Chim, I-87030 Arcavacata Di Rende, Italy.
[Rutkowski, Philip X.; Gibson, John K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Zorz, Nicole; Berthon, Laurence] CEA, Nucl Energy Div, Radiochem & Proc Dept, Lab Ligands Actinides Interact, F-30207 Bagnols Sur Ceze, France.
[Dias, Ana; Conceicao Oliveira, M.] Univ Lisbon, Inst Super Tecn, Ctr Quim Estrutural, P-1049001 Lisbon, Portugal.
RP Michelini, MC (reprint author), Univ Calabria, Dipartimento Chim, I-87030 Arcavacata Di Rende, Italy.
EM mc.michelini@unical.it; jmarcalo@ctn.ist.utl.pt
RI BERTHON, Laurence/B-1374-2016; PTMS, RNEM/C-1589-2014; Marcalo,
Joaquim/J-5476-2013;
OI BERTHON, Laurence/0000-0003-3474-8474; Marcalo,
Joaquim/0000-0001-7580-057X; Lourenco, Celia/0000-0002-2323-3304
FU Fundacao para a Ciencia e a Tecnologia [SFRH/BD/70475/2010,
PTDC/QUI-QUI/108977/2008, PEst-OE/QUI/UI0100/2011]; European Commission
[ACSEPT - FP7-Euratom/CP-2007-211267, ACTINET-I3-FP7-III-232631/JRP17];
Universita della Calabria; U.S. Department of Energy, Office of Basic
Energy Sciences, Heavy Element Chemistry, at LBNL [DE-AC02-05CH11231];
Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231];
DISN/RSTB/RBPCH (Basic Research for Physical Chemistry) Program
FX This work was supported by Fundacao para a Ciencia e a Tecnologia (PhD
grant SFRH/BD/70475/2010 to A.F.L.; RNEM - Rede Nacional de
Espectrometria de Massa: C2TN-IST and CQE-IST Nodes; projects
PTDC/QUI-QUI/108977/2008 and PEst-OE/QUI/UI0100/2011); European
Commission (projects ACSEPT - FP7-Euratom/CP-2007-211267 and
ACTINET-I3-FP7-III-232631/JRP17). The work of MCM was supported by
Universita della Calabria. The work of PXR and JKG was fully supported
by the U.S. Department of Energy, Office of Basic Energy Sciences, Heavy
Element Chemistry, at LBNL under Contract No. DE-AC02-05CH11231. This
research used resources of the National Energy Research Scientific
Computing Center (NERSC), which is supported by the Office of Science of
the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The
work at the CEA was supported by the DISN/RSTB/RBPCH (Basic Research for
Physical Chemistry) Program.
NR 56
TC 5
Z9 5
U1 9
U2 45
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 2015
VL 17
IS 15
BP 9942
EP 9950
DI 10.1039/c5cp00515a
PG 9
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA CF0YN
UT WOS:000352270700039
PM 25783464
ER
PT J
AU Thevamaran, R
Karakaya, M
Meshot, ER
Fischer, A
Podila, R
Rao, AM
Daraio, C
AF Thevamaran, Ramathasan
Karakaya, Mehmet
Meshot, Eric R.
Fischer, Andre
Podila, Ramakrishna
Rao, Apparao M.
Daraio, Chiara
TI Anomalous impact and strain responses in helical carbon nanotube foams
SO RSC ADVANCES
LA English
DT Article
ID MECHANICAL-PROPERTIES; TUBULE NANOCOILS; ARRAYS
AB We describe the quasistatic and dynamic response of helical carbon nanotube (HCNT) foams in compression. Similarly to other CNT foams, HCNT foams exhibit preconditioning effects in response to cyclic loading; however, their fundamental deformation mechanisms are unique. In quasistatic compression, HCNT foams exhibit strain localization and collective structural buckling, nucleating at different weak sections throughout their thickness. In dynamic compression, they undergo progressive crushing, governed by the intrinsic density gradient along the thickness of the sample. HCNT microbundles often undergo brittle fracture that originates from nanoscale defects. Regardless of this microstructural damage, bulk HCNT foams exhibit super-compressibility and recover more than 90% of large compressive strains (up to 80%). When subjected to striker impacts, HCNT foams mitigate impact stresses more effectively compared to other CNT foams comprised of non-helical CNTs (similar to 50% improvement). The unique mechanical properties we revealed demonstrate that the HCNT foams are ideally suited for applications in packaging, impact protection, and vibration mitigation.
C1 [Thevamaran, Ramathasan; Daraio, Chiara] CALTECH, Div Engn & Appl Sci, Pasadena, CA 91125 USA.
[Thevamaran, Ramathasan; Fischer, Andre; Daraio, Chiara] ETH, Dept Mech & Proc Engn, Swiss Fed Inst Technol Zurich, CH-8092 Zurich, Switzerland.
[Karakaya, Mehmet; Podila, Ramakrishna; Rao, Apparao M.] Clemson Univ, Dept Phys & Astron, Clemson, SC 29634 USA.
[Karakaya, Mehmet; Podila, Ramakrishna; Rao, Apparao M.] Clemson Univ, Clemson Nanomat Ctr, Clemson, SC 29634 USA.
[Meshot, Eric R.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA.
RP Daraio, C (reprint author), CALTECH, Div Engn & Appl Sci, Pasadena, CA 91125 USA.
EM daraio@ethz.ch
RI Daraio, Chiara/N-2170-2015
OI Daraio, Chiara/0000-0001-5296-4440
FU Institute for Collaborative Biotechnologies (ICB) [W911NF-09-D-0001];
Army Research Office (ARO); U.S. Department of Energy by Lawrence
Livermore National Laboratory [DE-AC02-05CH11231]; Office of Science,
and Office of Basic Energy Sciences, of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX We acknowledge Fabian Gramm (ScopeM, ETH Zurich) for assistance in TEM
imaging and Jan Rys (ETH Zurich) for assistance in SEM imaging. We
acknowledge financial support from the Institute for Collaborative
Biotechnologies (ICB) under the contract W911NF-09-D-0001 with the Army
Research Office (ARO). A portion 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. X-ray characterization was
performed at beamline 7.3.3 at the Advanced Light Source, which is
supported by the Director, Office of Science, and Office of Basic Energy
Sciences, of the U.S. Department of Energy under Contract no.
DE-AC02-05CH11231.
NR 29
TC 1
Z9 1
U1 2
U2 6
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 2015
VL 5
IS 37
BP 29306
EP 29311
DI 10.1039/c5ra03561a
PG 6
WC Chemistry, Multidisciplinary
SC Chemistry
GA CE8KQ
UT WOS:000352091600062
ER
PT J
AU Mccourt, M
Smith, B
Zhang, H
AF Mccourt, Michael
Smith, Barry
Zhang, Hong
TI SPARSE MATRIX-MATRIX PRODUCTS EXECUTED THROUGH COLORING
SO SIAM JOURNAL ON MATRIX ANALYSIS AND APPLICATIONS
LA English
DT Article
DE sparse matrix product; coloring
AB Sparse matrix-matrix products appear in multigrid solvers among other applications. Some implementations of these products require the inner product of two sparse vectors. In this paper, we propose a new algorithm for computing sparse matrix-matrix products by exploiting their nonzero structure through the process of graph coloring. We prove the validity of this technique in general and demonstrate its viability for examples including multigrid methods used to solve boundary value problems as well as matrix products appearing in unstructured applications.
C1 [Mccourt, Michael; Smith, Barry; Zhang, Hong] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA.
RP Mccourt, M (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM mccomic@mcs.anl.gov; bsmith@mcs.anl.gov; hzhang@mcs.anl.gov
FU Office of Advanced Scientific Computing Research, Office of Science,
U.S. Department of Energy [DE-AC02-06CH11357]; Argonne, a U.S.
Department of Energy Office of Science laboratory [DE-AC02-06CH11357]
FX This research was supported by the Office of Advanced Scientific
Computing Research, Office of Science, U.S. Department of Energy, under
contract DE-AC02-06CH11357. 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 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 23
TC 3
Z9 3
U1 0
U2 0
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 0895-4798
EI 1095-7162
J9 SIAM J MATRIX ANAL A
JI SIAM J. Matrix Anal. Appl.
PY 2015
VL 36
IS 1
BP 90
EP 109
DI 10.1137/13093426X
PG 20
WC Mathematics, Applied
SC Mathematics
GA CF0HB
UT WOS:000352222700005
ER
PT S
AU Gou, P
Yepez-Martinez, T
Szczepaniak, AP
AF Gou, Peng
Yepez-Martinez, Tochtli
Szczepaniak, Adam P.
BE Bijker, R
Lerma, S
Lizcano, D
TI Coulomb gauge approach for charmonium meson and hybrid radiative
transitions
SO XXXVII SYMPOSIUM ON NUCLEAR PHYSICS
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 37th Symposium on Nuclear Physics
CY JAN 06-09, 2014
CL Cocoyoc, MEXICO
ID MODEL; QCD; SPECTRUM
AB We consider the lowest order interaction of the Foldy-Wouthuysen QED and QCD Hamiltonian in the Coulomb gauge approach, to describe radiative transitions between conventional and hybrids charmonium mesons. The results are compared to potential quark models and lattices calculations.
C1 [Gou, Peng; Szczepaniak, Adam P.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA.
[Gou, Peng; Yepez-Martinez, Tochtli; Szczepaniak, Adam P.] Indiana Univ, Ctr Explorat Energy & Matter, Bloomington, IN 47408 USA.
[Szczepaniak, Adam P.] Indiana Univ, Dept Phys, Bloomington, IN 47405 USA.
RP Gou, P (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA.
EM pguo@jlab.org; tyepezma@indiana.edu; aszczepa@indiana.edu
NR 35
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 578
AR 012016
DI 10.1088/1742-6596/578/1/012016
PG 6
WC Physics, Nuclear
SC Physics
GA BC3YM
UT WOS:000352087300016
ER
PT S
AU Anselmino, M
Boglione, M
Gonzalez, JOH
Melis, S
Prokudin, A
AF Anselmino, M.
Boglione, M.
Gonzalez, J. O. H.
Melis, S.
Prokudin, A.
BE DAlesio, U
Murgia, F
TI Phenomenology of COMPASS data Multiplicities and Phenomenology - Part II
SO 4TH INTERNATIONAL WORKSHOP ON TRANSVERSE POLARISATION PHENOMENA IN HARD
PROCESSES (TRANSVERSITY 2014)
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 4th International Workshop on Transverse Polarisation Phenomena in Hard
Processes (TRANSVERSITY)
CY JUN 09-13, 2014
CL Cagliari, ITALY
SP Italian Minist Educ
AB present some of the main features of the multidimensional COMPASS multiplicities, via our analysis using the simple Gaussian model. We briefly discuss these results in connection with azimuthal asymmetries.
C1 [Anselmino, M.; Boglione, M.; Melis, S.] Univ Turin, Dipartimento Fis Teor, I-10125 Turin, Italy.
[Anselmino, M.; Boglione, M.; Gonzalez, J. O. H.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy.
[Prokudin, A.] Jefferson Lab, Newport News, VA 23606 USA.
RP Anselmino, M (reprint author), Univ Turin, Dipartimento Fis Teor, Via P Giuria 1, I-10125 Turin, Italy.
EM anselmino@to.infn.it; boglione@to.infn.it;
joseosvaldo.gonzalez@to.infn.it; melis@to.infn.it; prokudin@jlab.gov
OI Melis, Stefano/0000-0001-7316-4346; Boglione,
Mariaelena/0000-0002-3647-1731; Anselmino, Mauro/0000-0003-0900-8001
NR 11
TC 0
Z9 0
U1 1
U2 2
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2015
VL 85
AR 02017
DI 10.1051/epjconf/20158502017
PG 5
WC Physics, Multidisciplinary
SC Physics
GA BC3PL
UT WOS:000351841100026
ER
PT S
AU Avakian, H
AF Avakian, Harut
BE DAlesio, U
Murgia, F
TI Monte Carlo Generators for Studies of the 3D Structure of the Nucleon
SO 4TH INTERNATIONAL WORKSHOP ON TRANSVERSE POLARISATION PHENOMENA IN HARD
PROCESSES (TRANSVERSITY 2014)
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 4th International Workshop on Transverse Polarisation Phenomena in Hard
Processes (TRANSVERSITY)
CY JUN 09-13, 2014
CL Cagliari, ITALY
SP Italian Minist Educ
ID DEEP-INELASTIC SCATTERING; TRANSVERSE-MOMENTUM; PARTON DISTRIBUTIONS;
QUARK; SPIN; ELECTROPRODUCTION; LEPTOPRODUCTION; FRAGMENTATION; QCD
AB Extraction of transverse momentum and space distributions of partons from measurements of spin and azimuthal asymmetries requires development of a self consistent analysis framework, accounting for evolution effects, and allowing control of systematic uncertainties due to variations of input parameters and models. Development of realistic Monte-Carlo generators, accounting for TMD evolution effects, spin-orbit and quark-gluon correlations will be crucial for future studies of quark-gluon dynamics in general and 3D structure of the nucleon in particular.
C1 Jefferson Lab, Newport News, VA 23606 USA.
RP Avakian, H (reprint author), Jefferson Lab, 12000 Jefferson Ave, Newport News, VA 23606 USA.
EM avakian@jlab.org
NR 71
TC 1
Z9 1
U1 0
U2 1
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2015
VL 85
AR 02023
DI 10.1051/epjconf/20158502023
PG 6
WC Physics, Multidisciplinary
SC Physics
GA BC3PL
UT WOS:000351841100032
ER
PT S
AU Beppu, H
Kanazawa, K
Koike, Y
Yoshida, S
AF Beppu, Hiroo
Kanazawa, Koichi
Koike, Yuji
Yoshida, Shinsuke
BE DAlesio, U
Murgia, F
TI The role of three-gluon correlation functions in the single spin
asymmetry
SO 4TH INTERNATIONAL WORKSHOP ON TRANSVERSE POLARISATION PHENOMENA IN HARD
PROCESSES (TRANSVERSITY 2014)
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 4th International Workshop on Transverse Polarisation Phenomena in Hard
Processes (TRANSVERSITY)
CY JUN 09-13, 2014
CL Cagliari, ITALY
SP Italian Minist Educ
ID DEEP-INELASTIC SCATTERING; HADRONIC PION-PRODUCTION; CHIRAL-ODD
CONTRIBUTION; DIRECT-PHOTON; COLLISIONS
AB We study the twist-3 three-gluon contribution to the single spin asymmetry in the light-hadron production in pp collision in the framework of the collinear factorization. We derive the corresponding cross section formula in the leading order with respect to the QCD coupling constant. We also present a numerical calculation of the asymmetry at the RHIC energy, using a model for the three-gluon correlation functions suggested by the asymmetry for the D-meson production at RHIC. We found that the asymmetries for the light-hadron and the jet productions are very useful to constrain the magnitude and form of the correlation functions. Since the three-gluon correlation functions shift the asymmetry for all kinds of hadrons in the same direction, it is unlikely that they become a main source of the asymmetry.
C1 [Beppu, Hiroo; Kanazawa, Koichi] Niigata Univ, Grad Sch Sci & Technol, Niigata 9502181, Japan.
[Kanazawa, Koichi] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA.
[Koike, Yuji] Niigata Univ, Dept Phys, Niigata 9502181, Japan.
[Yoshida, Shinsuke] RIKEN, Nishina Ctr, Theoret Res Div, Wako, Saitama 3510198, Japan.
[Yoshida, Shinsuke] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
RP Beppu, H (reprint author), Niigata Univ, Grad Sch Sci & Technol, Niigata 9502181, Japan.
EM beppu@nt.sc.niigata-u.ac.jp; koichi.kanazawa@temple.edu;
koike@nt.sc.niigata-u.ac.jp; shinsuke.yoshida@riken.jp
NR 38
TC 0
Z9 0
U1 0
U2 0
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2015
VL 85
AR 02012
DI 10.1051/epjconf/20158502012
PG 5
WC Physics, Multidisciplinary
SC Physics
GA BC3PL
UT WOS:000351841100021
ER
PT S
AU Bland, LC
AF Bland, L. C.
BE DAlesio, U
Murgia, F
TI Transverse Single Spin Asymmetries in Hadronic Interactions An
Experimental Overview and Outlook
SO 4TH INTERNATIONAL WORKSHOP ON TRANSVERSE POLARISATION PHENOMENA IN HARD
PROCESSES (TRANSVERSITY 2014)
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 4th International Workshop on Transverse Polarisation Phenomena in Hard
Processes (TRANSVERSITY)
CY JUN 09-13, 2014
CL Cagliari, ITALY
SP Italian Minist Educ
ID DEEP-INELASTIC SCATTERING; QUANTUM CHROMODYNAMICS; HARD-SCATTERING;
ANALYZING POWER; POLARIZATION; MOMENTUM; PROTONS; JETS
AB Transverse single-spin asymmetries (SSA) are expected to be small in perturbative QCD because of the chiral nature of the theory. Experiment shows there are large transverse SSA for particles produced in special kinematics. This contribution reviews the experimental situation and provides an outlook for future measurements.
C1 Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Bland, LC (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
NR 57
TC 0
Z9 0
U1 1
U2 1
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2015
VL 85
AR 01008
DI 10.1051/epjconf/20158501008
PG 11
WC Physics, Multidisciplinary
SC Physics
GA BC3PL
UT WOS:000351841100008
ER
PT S
AU Pitonyak, D
Kanazawa, K
Koike, Y
Metz, A
AF Pitonyak, Daniel
Kanazawa, Koichi
Koike, Yuji
Metz, Andreas
BE DAlesio, U
Murgia, F
TI A(N) in proton-proton collisions and the role of twist-3 fragmentation
SO 4TH INTERNATIONAL WORKSHOP ON TRANSVERSE POLARISATION PHENOMENA IN HARD
PROCESSES (TRANSVERSITY 2014)
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 4th International Workshop on Transverse Polarisation Phenomena in Hard
Processes (TRANSVERSITY)
CY JUN 09-13, 2014
CL Cagliari, ITALY
SP Italian Minist Educ
ID SINGLE-SPIN ASYMMETRY; PION-PRODUCTION; ANALYZING POWER;
LEPTOPRODUCTION; DISTRIBUTIONS; POLARIZATION; SCATTERING; COLLINS;
KAONS; BEAM
AB We review and give an update on the current status of what causes transverse single-spin asymmetries (TSSAs) in semi-inclusive processes where a single hadron is detected in the final state, especially those involving proton-proton (pp) collisions. In particular, we provide a new analysis within collinear factorization of TSSAs in high transverse momentum charged and neutral pion production in pp collisions at the Relativistic Heavy Ion Collider (RHIC). This study incorporates the so-called twist-3 fragmentation term and shows that one can describe RHIC data through this mechanism. Moreover, by fixing other non-perturbative inputs through extractions of transverse momentum dependent functions in e(+)e(-) -> h(1)h(2)X and semi-inclusive deep-inelastic scattering (SIDIS), we provide for the first time a consistency between certain spin/azimuthal asymmetries in all three reactions (i.e., pp, e(+)e(-), and SIDIS).
C1 [Pitonyak, Daniel] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA.
[Kanazawa, Koichi] Niigata Univ, Grad Sch Sci & Technol, Niigata 9502181, Japan.
[Kanazawa, Koichi; Metz, Andreas] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA.
[Koike, Yuji] Niigata Univ, Dept Phys, Niigata 9502181, Japan.
RP Pitonyak, D (reprint author), Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA.
EM dpitonyak@quark.phy.bnl.gov; koichi.kanazawa@temple.edu;
koike@nt.sc.niigata-u.ac.jp; metza@temple.edu
NR 60
TC 0
Z9 0
U1 2
U2 2
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2015
VL 85
AR 02013
DI 10.1051/epjconf/20158502013
PG 6
WC Physics, Multidisciplinary
SC Physics
GA BC3PL
UT WOS:000351841100022
ER
PT S
AU Prokudin, A
AF Prokudin, Alexei
BE DAlesio, U
Murgia, F
TI A(N) in inclusive lepton-proton collisions: TMD and twist-3 approaches
SO 4TH INTERNATIONAL WORKSHOP ON TRANSVERSE POLARISATION PHENOMENA IN HARD
PROCESSES (TRANSVERSITY 2014)
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 4th International Workshop on Transverse Polarisation Phenomena in Hard
Processes (TRANSVERSITY)
CY JUN 09-13, 2014
CL Cagliari, ITALY
SP Italian Minist Educ
ID SINGLE-SPIN ASYMMETRY; DEEP-INELASTIC SCATTERING; DIRECT PHOTON
PRODUCTION; HARD-SCATTERING; PION-PRODUCTION; FRAGMENTATION; AZIMUTHAL;
QCD
AB We consider the inclusive production of hadrons in lepton-nucleon scattering. For a transversely polarized nucleon this reaction shows a left-right azimuthal asymmetry, which we compute in both TMD and in twist-3 collinear factorization formalisms. All non-perturbative parton correlators of the calculation are fixed through information from other hard processes. Our results for the left-right asymmetry agree in sign with recent data for charged pion production from the HERMES Collaboration and from Jefferson Lab. We discuss similarities and differences of the two formalisms.
C1 Jefferson Lab, Newport News, VA 23606 USA.
RP Prokudin, A (reprint author), Jefferson Lab, 12000 Jefferson Ave, Newport News, VA 23606 USA.
EM prokudin@jlab.org
NR 62
TC 0
Z9 0
U1 0
U2 1
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2015
VL 85
AR 02028
DI 10.1051/epjconf/20158502028
PG 6
WC Physics, Multidisciplinary
SC Physics
GA BC3PL
UT WOS:000351841100037
ER
PT J
AU Buchmann, LF
Stamper-Kurn, DM
AF Buchmann, Lukas F.
Stamper-Kurn, Dan M.
TI The quantum/classical transition in mediated interactions
SO ANNALEN DER PHYSIK
LA English
DT Article
DE Cavity optomechanics; quantum to classical transition; multimode
optomechanics
ID CAVITY OPTOMECHANICS; QUANTUM; ATOMS
AB Two quantum modes interacting via local couplings to a dissipative bosonic field are investigated theoretically. The model considers two mechanical modes with distinct frequencies coupled optomechanically to the same cavity mode. The dissipative cavity field mediates the interaction between the mechanical modes but also leads to decoherence of the mechanical oscillators. Depending on the ratio between effective interaction strength and dissipation rate, which can be chosen via the pump detuning, the interaction assumes a quantum mechanical or classical character. The distinction between the two regimes is made by the ability of the mediated interaction to correlate the two mechanical modes non-classically. For any cavity decay, there is a regime where the two mechanical modes interact in a non-classical way, which leads us to conclude that optomechanical systems can serve as a model to experimentally study the transition of effective interactions mediated by classical or quantum-mechanical fields.
C1 [Buchmann, Lukas F.; Stamper-Kurn, Dan M.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Stamper-Kurn, Dan M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Buchmann, LF (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
EM lbuchmann@berkeley.edu
RI Stamper-Kurn, Dan/B-5442-2015;
OI Stamper-Kurn, Dan/0000-0002-4845-5835; Buchmann,
Lukas/0000-0002-2527-6789
FU SNSF; AFOSR; NSF
FX This work was supported by the SNSF, AFOSR and NSF. LFB would like to
thank D. Kafri and Y. Chen for useful discussions.
NR 37
TC 6
Z9 6
U1 0
U2 4
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 0003-3804
EI 1521-3889
J9 ANN PHYS-BERLIN
JI Ann. Phys.-Berlin
PD JAN
PY 2015
VL 527
IS 1-2
SI SI
BP 156
EP 161
DI 10.1002/andp.201400150
PG 6
WC Physics, Multidisciplinary
SC Physics
GA CE2HC
UT WOS:000351634800016
ER
PT J
AU Dickie, DA
Ulibarri-Sanchez, RP
Kemp, RA
AF Dickie, Diane A.
Ulibarri-Sanchez, Raymond P., III
Kemp, Richard A.
TI Zwitterionic CS2 Adducts of Bis(dialkylphosphino)amines: Syntheses,
Spectroscopy, and Structures
SO AUSTRALIAN JOURNAL OF CHEMISTRY
LA English
DT Article
ID MOLECULAR-STRUCTURE; CARBON-DISULFIDE; CRYSTAL-STRUCTURES; DIOXIDE;
COMPLEXES; TELLURIUM; LIGANDS; ION; CO2
AB Both bis(diisopropylphosphino)amine and bis(di-t-butylphosphino)amine react with CS2 to give bright red zwitterionic adducts of the form R2P(CS2)NP(R-2)H (R=Pr-i or Bu-t). The P-H tautomer is the exclusive species present in solution, and there is no evidence of CS2 lability. The tautomeric hydrogen can undergo exchange with deuterium in protic solvents such as CD3OD. The products were characterized by single-crystal X-ray diffraction, IR and multinuclear (H-1, H-2, C-13, P-31) NMR spectroscopies.
C1 [Dickie, Diane A.; Kemp, Richard A.] Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA.
[Ulibarri-Sanchez, Raymond P., III; Kemp, Richard A.] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA.
RP Kemp, RA (reprint author), Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA.
EM rakemp@unm.edu
RI Dickie, Diane/B-1647-2010
OI Dickie, Diane/0000-0003-0939-3309
FU National Science Foundation [CHE12-13529]; Laboratory Directed Research
and Development (LDRD) program at Sandia National Laboratories [LDRD
151300]; Sandia National Laboratories STAR student internship program;
National Science Foundation CRIF:MU award [CHE04-43580]; NSF
[CHE08-40523, CHE09-46690]; United States Department of Energy
[DE-AC04-94AL85000]
FX This work was financially supported by the National Science Foundation
(grant CHE12-13529) and by the Laboratory Directed Research and
Development (LDRD) program at Sandia National Laboratories (LDRD 151300)
and the Sandia National Laboratories STAR student internship program.
The Bruker X-ray diffractometer was purchased via a National Science
Foundation CRIF:MU award to the University of New Mexico (CHE04-43580),
and the NMR spectrometers were upgraded via grants from the NSF
(CHE08-40523 and CHE09-46690). Sandia is a multiprogram laboratory
operated by Sandia Corporation, a Lockheed Martin Co., for the United
States Department of Energy under Contract No. DE-AC04-94AL85000.
NR 30
TC 2
Z9 2
U1 0
U2 6
PU CSIRO PUBLISHING
PI CLAYTON
PA UNIPARK, BLDG 1, LEVEL 1, 195 WELLINGTON RD, LOCKED BAG 10, CLAYTON, VIC
3168, AUSTRALIA
SN 0004-9425
EI 1445-0038
J9 AUST J CHEM
JI Aust. J. Chem.
PY 2015
VL 68
IS 3
BP 351
EP 356
DI 10.1071/CH14535
PG 6
WC Chemistry, Multidisciplinary
SC Chemistry
GA CE1DG
UT WOS:000351551700002
ER
PT J
AU Visperas, PR
Winger, JA
Horton, TM
Shah, NH
Aum, DJ
Tao, A
Barros, T
Yan, QR
Wilson, CG
Arkin, MR
Weiss, A
Kuriyan, J
AF Visperas, Patrick R.
Winger, Jonathan A.
Horton, Timothy M.
Shah, Neel H.
Aum, Diane J.
Tao, Alyssa
Barros, Tiago
Yan, Qingrong
Wilson, Christopher G.
Arkin, Michelle R.
Weiss, Arthur
Kuriyan, John
TI Modification by covalent reaction or oxidation of cysteine residues in
the tandem-SH2 domains of ZAP-70 and Syk can block phosphopeptide
binding
SO BIOCHEMICAL JOURNAL
LA English
DT Article
DE B-cell; covalent small-molecule inhibitor; hydrogen peroxide (H2O2);
immunoreceptor tyrosine-based activation motif (ITAM); T-cell
ID T-CELL-RECEPTOR; TYROSINE KINASE ZAP-70; HYDROGEN-PEROXIDE; REDOX
REGULATION; STRUCTURAL BASIS; SIGNAL-TRANSDUCTION; CRYSTAL-STRUCTURE;
ANTIGEN RECEPTOR; SH2 INHIBITORS; IN-VIVO
AB Zeta-chain associated protein of 70 kDa (ZAP-70) and spleen tyrosine kinase (Syk) are non-receptor tyrosine kinases that are essential for T-cell and B-cell antigen receptor signalling respectively. They are recruited, via their tandem-SH2 (Src-homology domain 2) domains, to doubly phosphorylated immunoreceptor tyrosine-based activation motifs (ITAMs) on invariant chains of immune antigen receptors. Because of their critical roles in immune signalling, ZAP-70 and Syk are targets for the development of drugs for autoimmune diseases. We show that three thiol-reactive small molecules can prevent the tandem-SH2 domains of ZAP-70 and Syk from binding to phosphorylated ITAMs. We identify a specific cysteine residue in the phosphotyrosine-binding pocket of each protein (Cys39 in ZAP-70, Cys206 in Syk) that is necessary for inhibition by two of these compounds. We also find that ITAMbinding to ZAP-70 and Syk is sensitive to the presence of H2O2 and these two cysteine residues are also necessary for inhibition by H2O2. Our findings suggest a mechanism by which the reactive oxygen species generated during responses to antigen could attenuate signalling through these kinases and may also inform the development of ZAP-70 and Syk inhibitors that bind covalently to their SH2 domains.
C1 [Visperas, Patrick R.; Winger, Jonathan A.; Horton, Timothy M.; Shah, Neel H.; Aum, Diane J.; Tao, Alyssa; Barros, Tiago; Yan, Qingrong; Kuriyan, John] Univ Calif Berkeley, Calif Inst Quantitat Biosci, Dept Mol & Cell Biol, Berkeley, CA 94720 USA.
[Visperas, Patrick R.; Winger, Jonathan A.; Horton, Timothy M.; Shah, Neel H.; Aum, Diane J.; Tao, Alyssa; Barros, Tiago; Yan, Qingrong; Kuriyan, John] Univ Calif Berkeley, Calif Inst Quantitat Biosci, Dept Chem, Berkeley, CA 94720 USA.
[Visperas, Patrick R.; Winger, Jonathan A.; Horton, Timothy M.; Shah, Neel H.; Aum, Diane J.; Tao, Alyssa; Barros, Tiago; Yan, Qingrong; Kuriyan, John] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA.
[Wilson, Christopher G.; Arkin, Michelle R.] Univ Calif San Francisco, Small Mol Discovery Ctr, Dept Pharmaceut Chem, San Francisco, CA 94158 USA.
[Weiss, Arthur] Univ Calif San Francisco, Rosalind Russell & Ephrain P Engleman Rheumatol R, Dept Med, San Francisco, CA 94143 USA.
[Weiss, Arthur] Univ Calif San Francisco, Howard Hughes Med Inst, San Francisco, CA 94143 USA.
[Kuriyan, John] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
RP Kuriyan, J (reprint author), Univ Calif Berkeley, Calif Inst Quantitat Biosci, Dept Mol & Cell Biol, Berkeley, CA 94720 USA.
EM kuriyan@berkeley.edu
RI Winger, Jonathan/B-3885-2010;
OI Barros, Tiago/0000-0002-9807-7625; Winger, Jonathan/0000-0003-1413-3384;
Shah, Neel H/0000-0002-1186-0626
FU National Institute of Arthritis and Musculoskeletal and Skin
Diseases/National Institutes of Health American Recovery and Reinvest
Act [1RC2-AR058947-01]; National Institutes of Health/National Cancer
Institute UC Berkeley Cancer Laboratory training grant [5T32 CA 9179-35]
FX This work was supported by the National Institute of Arthritis and
Musculoskeletal and Skin Diseases/National Institutes of Health American
Recovery and Reinvest Act [grant number 1RC2-AR058947-01 (to A.W. and
J.K.)] and the National Institutes of Health/National Cancer Institute
UC Berkeley Cancer Laboratory training grant [grant number 5T32 CA
9179-35 (to P.R.V.)].
NR 42
TC 4
Z9 4
U1 0
U2 14
PU PORTLAND PRESS LTD
PI LONDON
PA CHARLES DARWIN HOUSE, 12 ROGER STREET, LONDON WC1N 2JU, ENGLAND
SN 0264-6021
EI 1470-8728
J9 BIOCHEM J
JI Biochem. J.
PD JAN 1
PY 2015
VL 465
BP 149
EP 161
DI 10.1042/BJ20140793
PN 1
PG 13
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA CE2XN
UT WOS:000351685300012
PM 25287889
ER
PT J
AU Heistermann, M
Collis, S
Dixon, MJ
Giangrande, S
Helmus, JJ
Kelley, B
Koistinen, J
Michelson, DB
Peura, M
Pfaff, T
Wolff, DB
AF Heistermann, M.
Collis, S.
Dixon, M. J.
Giangrande, S.
Helmus, J. J.
Kelley, B.
Koistinen, J.
Michelson, D. B.
Peura, M.
Pfaff, T.
Wolff, D. B.
TI THE EMERGENCE OF OPEN-SOURCE SOFTWARE FOR THE WEATHER RADAR COMMUNITY
SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY
LA English
DT Article
ID C-BAND RADAR; REAL-TIME; ATTENUATION CORRECTION; RAINFALL ESTIMATION;
DIFFERENTIAL PHASE; MOUNTAINOUS REGION; BEAM BLOCKAGE; IDENTIFICATION;
ALGORITHMS; RETRIEVAL
AB Weather radar analysis has become increasingly sophisticated over the past 50 years, and efforts to keep software up to date have generally lagged behind the needs of the users. We argue that progress has been impeded by the fact that software has not been developed and shared as a community.
Recently, the situation has been changing. In this paper, the developers of a number of open-source software (OSS) projects highlight the potential of OSS to advance radar-related research. We argue that the community-based development of OSS holds the potential to reduce duplication of efforts and to create transparency in implemented algorithms while improving the quality and scope of the software. We also conclude that there is sufficiently mature technology to support collaboration across different software projects. This could allow for consolidation toward a set of interoperable software platforms, each designed to accommodate very specific user requirements.
C1 [Heistermann, M.] Univ Potsdam, Inst Earth & Environm Sci, D-14476 Potsdam, Germany.
[Collis, S.; Helmus, J. J.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Dixon, M. J.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
[Giangrande, S.] Brookhaven Natl Lab, Biol Environm & Climate Sci Dept, Upton, NY 11973 USA.
[Kelley, B.; Wolff, D. B.] NASA, Goddard Space Flight Ctr, Wallops Flight Facil, Wallops Isl, VA 23337 USA.
[Koistinen, J.; Peura, M.] Finnish Meteorol Inst, FIN-00101 Helsinki, Finland.
[Michelson, D. B.] Swedish Meteorol & Hydrol Inst, S-60176 Norrkoping, Sweden.
[Pfaff, T.] Univ Stuttgart, Inst Wasser & Umweltsyst Modellie, D-70174 Stuttgart, Germany.
RP Heistermann, M (reprint author), Univ Potsdam, Karl Liebknecht Str 24-25, D-14476 Potsdam, Germany.
EM maik.heistermann@uni-potsdam.de
RI Giangrande, Scott/I-4089-2016
OI Giangrande, Scott/0000-0002-8119-8199
FU U.S. Federal Aviation Administration; U.S. National Science Foundation;
European Union (European Regional Development Fund); European Union
(European Neighbourhood and Partnership Instrument); U.S. Department of
Energy, Office of Science, Office of Biological and Environmental
Research [DE-AC02-06CH11357]; Office of Biological and Environmental
Research (OBER) of the U.S. Department of Energy (DOE) as part of ARM;
German Federal Ministry for Research and Education within the PROGRESS
project; NASA's Precipitation Measurement Missions program
FX The development of TITAN was funded by the U.S. Federal Aviation
Administration. The development of LROSE is funded by the U.S. National
Science Foundation. BALTRAD software has been developed as part of the
BALTRAD and BALTRAD+ projects that have been partly financed by the
European Union (European Regional Development Fund and European
Neighbourhood and Partnership Instrument). Argonne National Laboratory's
work was supported by the U.S. Department of Energy, Office of Science,
Office of Biological and Environmental Research, under Contract
DE-AC02-06CH11357. This work has been supported by the Office of
Biological and Environmental Research (OBER) of the U.S. Department of
Energy (DOE) as part of ARM. The development of wradlib was partly
funded by the German Federal Ministry for Research and Education within
the PROGRESS project, The development of RSL and RSL-in-IDL were
supported by NASA's Precipitation Measurement Missions program. The
authors thank Jonathan J. Gourley, Norman Donaldson, and Marco Borga who
reviewed this paper and who substantially contributed to its
improvement.
NR 51
TC 7
Z9 7
U1 0
U2 6
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0003-0007
EI 1520-0477
J9 B AM METEOROL SOC
JI Bull. Amer. Meteorol. Soc.
PD JAN
PY 2015
VL 96
IS 1
BP 117
EP 128
DI 10.1175/BAMS-D-13-00240.1
PG 12
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CE0FA
UT WOS:000351478700016
ER
PT J
AU Wu, QY
Xiong, SM
Shen, PC
Zhao, S
Li, Y
Su, D
Orlov, A
AF Wu, Qiyuan
Xiong, Shangmin
Shen, Peichuan
Zhao, Shen
Li, Yan
Su, Dong
Orlov, Alexander
TI Exceptional activity of sub-nm Pt clusters on CdS for photocatalytic
hydrogen production: a combined experimental and first-principles study
SO CATALYSIS SCIENCE & TECHNOLOGY
LA English
DT Article
ID HIGH QUANTUM EFFICIENCY; VISIBLE-LIGHT; H-2-PRODUCTION PERFORMANCE;
NOBLE-METAL; FUEL-CELLS; PT-PDS/CDS; WATER; GENERATION; EVOLUTION;
CATALYSTS
C1 [Wu, Qiyuan; Xiong, Shangmin; Shen, Peichuan; Zhao, Shen; Li, Yan; Su, Dong; Orlov, Alexander] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA.
[Li, Yan] Brookhaven Natl Lab, Computat Sci Ctr, Upton, NY 11973 USA.
[Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
RP Orlov, A (reprint author), SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA.
EM alexander.orlov@stonybrook.edu
RI Su, Dong/A-8233-2013
OI Su, Dong/0000-0002-1921-6683
FU NSF DMR award [1231586]; U.S. Department of Energy, Office of Basic
Energy Sciences [DE-AC02-98CH10086]; Office of Science of the U.S.
Department of Energy [DE-AC02-05CH11231]
FX Alexander Orlov would like to acknowledge financial support from the NSF
DMR award #1231586. Work performed by Shangmin Xiong, Yan Li and Dong Su
was supported by the U.S. Department of Energy, Office of Basic Energy
Sciences, under contract no. DE-AC02-98CH10086. TEM measurements and DFT
calculations were carried out at the Center for Functional Nanomaterials
at Brookhaven National Laboratory, which is supported by the U.S.
Department of Energy, Office of Basic Energy Sciences, under contract
no. DE-AC02-98CH10886. This research 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 U.S. Department
of Energy under contract no. DE-AC02-05CH11231. We would also like to
thank Dr. Mike White for his help in the XPS experiment.
NR 36
TC 3
Z9 3
U1 2
U2 27
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2044-4753
EI 2044-4761
J9 CATAL SCI TECHNOL
JI Catal. Sci. Technol.
PY 2015
VL 5
IS 4
BP 2059
EP 2064
DI 10.1039/c4cy01563k
PG 6
WC Chemistry, Physical
SC Chemistry
GA CE3QH
UT WOS:000351742700005
ER
PT J
AU Lu, HF
Zhang, PF
Qiao, ZA
Zhang, JS
Zhu, HY
Chen, JH
Chen, YF
Dai, S
AF Lu, Hanfeng
Zhang, Pengfei
Qiao, Zhen-An
Zhang, Jinshui
Zhu, Huiyuan
Chen, Jihua
Chen, Yinfei
Dai, Sheng
TI Ionic liquid-mediated synthesis of meso-scale porous
lanthanum-transition-metal perovskites with high CO oxidation
performance
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID OXYGEN REDUCTION CATALYSTS; HIGH-SURFACE-AREA; STRUCTURAL STABILITY;
MESOPOROUS SILICA; LACOO3 PEROVSKITE; COMBUSTION; NANOPARTICLES;
TEMPLATE; CARBON; LAMNO3
AB Lanthanum-transition-metal perovskites with robust meso-scale porous frameworks (meso-LaMO3) are synthesized through the use of ionic liquids. The resultant samples demonstrate a rather high activity for CO oxidation, by taking advantage of unique nanostructure-derived benefits. This synthesis strategy opens up a new opportunity for preparing functional mesoporous complex oxides of various compositions.
C1 [Lu, Hanfeng; Chen, Yinfei] Zhejiang Univ Technol, Inst Catalyt React Engn, Coll Chem Engn, Hangzhou 310014, Zhejiang, Peoples R China.
[Lu, Hanfeng; Zhang, Pengfei; Qiao, Zhen-An; Zhang, Jinshui; Zhu, Huiyuan; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Chen, Jihua] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN USA.
[Chen, Jihua] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA.
[Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
RP Lu, HF (reprint author), Zhejiang Univ Technol, Inst Catalyt React Engn, Coll Chem Engn, Hangzhou 310014, Zhejiang, Peoples R China.
EM luhf@zjut.edu.cn; dais@ornl.gov
RI Chen, Jihua/F-1417-2011; Lu, Hanfeng/D-1017-2014; Dai,
Sheng/K-8411-2015; Zhang, Pengfei/I-5484-2013; zhang,
Jinshui/D-9749-2016;
OI Chen, Jihua/0000-0001-6879-5936; Dai, Sheng/0000-0002-8046-3931; zhang,
Jinshui/0000-0003-4649-6526; Qiao, Zhen-An/0000-0001-6064-9360
FU U.S. Department of Energy, Office of Science, Basic Energy Sciences,
Chemical Sciences, Geosciences, and Biosciences Division; Natural
Science Foundation of China [21107096]; Natural Science Foundation of
Zhejiang province [LY14E080008]; Commission of Science and Technology of
Zhejiang province [2013C03021]
FX This work was supported by the U.S. Department of Energy, Office of
Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and
Biosciences Division, the Natural Science Foundation of China (No.
21107096). HL and YC were supported in part by the Natural Science
Foundation of Zhejiang province (No. LY14E080008) and the Commission of
Science and Technology of Zhejiang province (No. 2013C03021).
NR 47
TC 8
Z9 8
U1 16
U2 123
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 2015
VL 51
IS 27
BP 5910
EP 5913
DI 10.1039/c5cc00534e
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA CE2QN
UT WOS:000351660500024
PM 25727232
ER
PT J
AU Chen, XY
Li, H
Yin, PC
Liu, TB
AF Chen, Xinyue
Li, Hui
Yin, Panchao
Liu, Tianbo
TI Design of polystyrene latex particles covered with polyoxometalate
clusters via multiple covalent bonding
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID GOLD NANOPARTICLES; TRANSITION-METAL; ORGANIC HYBRID; OXIDATION;
CATALYSTS; WATER; SURFACTANTS; REACTIVITY; NANOSCALE; MONOLAYER
AB Polyoxometalates (POMs) covalently functionalized with methyl methacrylate groups were applied as surfactants in the emulsion polymerization reaction of styrene. Due to the copolymerization of the methyl methacrylate groups and the styrene monomers, the polyoxometalate clusters are covalently grafted onto the surface of polystyrene latex nanoparticles. Such latex particles are fully covered with catalytic POM clusters and might serve as quasi-homogeneous catalysts.
C1 [Chen, Xinyue; Li, Hui; Yin, Panchao; Liu, Tianbo] Univ Akron, Dept Polymer Sci, Akron, OH 44325 USA.
[Yin, Panchao] Oak Ridge Natl Lab, Neutron Sci Directorate, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA.
RP Yin, PC (reprint author), Univ Akron, Dept Polymer Sci, Akron, OH 44325 USA.
EM yinp@ornl.gov; pyin@uakron.edu; tliu@uakron.edu
RI Yin, Panchao/J-3322-2013; Liu, Tianbo/D-8915-2017
OI Yin, Panchao/0000-0003-2902-8376; Liu, Tianbo/0000-0002-8181-1790
FU NSF [CHE1305756]; University of Akron; Neutron Science Directorate in
Oak Ridge National Laboratory; Office of Science of the US Department of
Energy [DE-AC05-00OR22725]
FX This work was supported by NSF (CHE1305756) and the University of Akron.
Panchao Yin acknowledges the Clifford G. Shull Fellowship support from
Neutron Science Directorate in Oak Ridge National Laboratory, which is
supported by the Office of Science of the US Department of Energy under
Contract No. DE-AC05-00OR22725.
NR 40
TC 3
Z9 4
U1 6
U2 29
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 2015
VL 51
IS 28
BP 6104
EP 6107
DI 10.1039/c5cc00239g
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA CE4YL
UT WOS:000351836300010
PM 25743436
ER
PT J
AU Weiss, CJ
Wiedner, ES
Roberts, JAS
Appel, AM
AF Weiss, Charles J.
Wiedner, Eric S.
Roberts, John A. S.
Appel, Aaron M.
TI Nickel phosphine catalysts with pendant amines for electrocatalytic
oxidation of alcohols
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID CARBON; ENERGY; ELECTROOXIDATION; ACETONITRILE; REDUCTION; COMPLEXES;
CHEMICALS; EFFICIENT; BASICITY; STORAGE
AB Nickel phosphine complexes with pendant amines have been found to be electrocatalysts for the oxidation of primary and secondary alcohols, with turnover frequencies as high as 3.3 s(-1). These complexes are the first electrocatalysts for alcohol oxidation based on non-precious metals, which will be critical for use in fuel cells.
C1 [Weiss, Charles J.; Wiedner, Eric S.; Roberts, John A. S.; Appel, Aaron M.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Appel, AM (reprint author), Pacific NW Natl Lab, POB 999,MS K2-57, Richland, WA 99352 USA.
EM aaron.appel@pnnl.gov
OI Wiedner, Eric/0000-0002-7202-9676; Appel, Aaron/0000-0002-5604-1253
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences Bio-sciences;
Center for Molecular Electrocatalysis, Energy Frontier Research Center -
U.S. Department of Energy, Office of Science
FX The research by CJW, ESW, and AMA was supported by the U.S. Department
of Energy, Office of Science, Office of Basic Energy Sciences, Division
of Chemical Sciences, Geosciences & Bio-sciences. The research by JASR
was supported as part of the Center for Molecular Electrocatalysis, an
Energy Frontier Research Center funded by the U.S. Department of Energy,
Office of Science. Pacific Northwest National Laboratory is operated by
Battelle for the U.S. Department of Energy.
NR 25
TC 14
Z9 14
U1 3
U2 17
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 2015
VL 51
IS 28
BP 6172
EP 6174
DI 10.1039/c5cc01107h
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA CE4YL
UT WOS:000351836300028
PM 25753760
ER
PT J
AU Pan, BF
Zhang, JJ
Huang, JH
Vaughey, JT
Zhang, L
Han, SD
Burrell, AK
Zhang, ZC
Liao, C
AF Pan, Baofei
Zhang, Junjie
Huang, Jinhua
Vaughey, John T.
Zhang, Lu
Han, Sang-Don
Burrell, Anthony K.
Zhang, Zhengcheng
Liao, Chen
TI A Lewis acid-free and phenolate-based magnesium electrolyte for
rechargeable magnesium batteries
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID ARYLOXIDES; STABILITY; CATHODE; SALTS
AB A novel Lewis acid-free and phenolate-based magnesium electrolyte has been established. The excellent reversibility and stability of this electrolyte in battery cycling render this novel Lewis acid-free synthetic approach as a highly promising alternative for the development of highly anodically stable magnesium electrolytes for rechargeable magnesium batteries.
C1 [Pan, Baofei; Huang, Jinhua; Vaughey, John T.; Zhang, Lu; Han, Sang-Don; Burrell, Anthony K.; Zhang, Zhengcheng; Liao, Chen] Argonne Natl Lab, Joint Ctr Energy Storage Res, Lemont, IL 60439 USA.
[Pan, Baofei; Huang, Jinhua; Vaughey, John T.; Zhang, Lu; Han, Sang-Don; Burrell, Anthony K.; Zhang, Zhengcheng; Liao, Chen] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA.
[Zhang, Junjie] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA.
RP Liao, C (reprint author), Argonne Natl Lab, Joint Ctr Energy Storage Res, 9700 S Cass Ave, Lemont, IL 60439 USA.
EM liaoc@anl.gov
RI Pan, Baofei/H-2867-2015; Zhang, junjie/C-4129-2008;
OI Zhang, junjie/0000-0002-5561-1330; Liao, Chen/0000-0001-5168-6493;
Vaughey, John/0000-0002-2556-6129
FU Joint Center for Energy Storage Research, an Energy Innovation Hub -
U.S. Department of Energy, Office of Science, Basic Energy Sciences;
U.S. Department of Energy Office of Science laboratory
[DE-AC02-06CH11357]
FX This work was supported as part of the Joint Center for Energy Storage
Research, an Energy Innovation Hub funded by the U.S. Department of
Energy, Office of Science, Basic Energy Sciences. 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.
NR 20
TC 12
Z9 12
U1 5
U2 71
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 2015
VL 51
IS 28
BP 6214
EP 6217
DI 10.1039/c5cc01225b
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA CE4YL
UT WOS:000351836300039
PM 25758092
ER
PT J
AU Subbarao, U
Jana, R
Chondroudi, M
Balasubramanian, M
Kanatzidis, MG
Peter, SC
AF Subbarao, Udumula
Jana, Rajkumar
Chondroudi, Maria
Balasubramanian, Mahalingam
Kanatzidis, Mercouri G.
Peter, Sebastian C.
TI Yb7Ni4InGe12: a quaternary compound having mixed valent Yb atoms grown
from indium flux
SO DALTON TRANSACTIONS
LA English
DT Article
ID X-RAY ABSORPTION; CRYSTAL-STRUCTURE; LIQUID INDIUM; EXPLORATORY
SYNTHESIS; METAL FLUX; INTERMETALLIC COMPOUNDS; ORDERED SUPERSTRUCTURE;
NEUTRON-DIFFRACTION; ALUMINUM SILICIDES; TERNARY SILICIDES
AB The new intermetallic compound Yb7Ni4InGe12 was obtained as large silver needle shaped single crystals from reactive indium flux. Single crystal X-ray diffraction suggests that Yb7Ni4InGe12 crystallizes in the Yb7Ni4InGe12 structure type, and tetragonal space group P4/m and lattice constants are a = b = 10.291(2) angstrom and c = 4.1460(8)angstrom. The crystal structure of Yb7Ni4InGe12 consists of columnar units of three different types of channels filled with the Yb atoms. The crystal structure of Yb7Ni4InGe12 is closely related to Yb5Ni4Ge10. The effective magnetic moment obtained from the magnetic susceptibility measurements in the temperature range 200-300 K is 3.66 mu(B)/Yb suggests mixed/intermediate valence behavior of ytterbium atoms. X-ray absorption near edge spectroscopy (XANES) confirms that Yb7Ni4InGe12 exhibits mixed valence.
C1 [Subbarao, Udumula; Jana, Rajkumar; Peter, Sebastian C.] Jawaharlal Nehru Ctr Adv Sci Res, New Chem Unit, Bangalore 560064, Karnataka, India.
[Chondroudi, Maria; Kanatzidis, Mercouri G.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Balasubramanian, Mahalingam] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Kanatzidis, Mercouri G.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
RP Peter, SC (reprint author), Jawaharlal Nehru Ctr Adv Sci Res, New Chem Unit, Bangalore 560064, Karnataka, India.
EM m-kanatzidis@northwestern.edu; sebastiancp@jncasr.ac.in
FU Jawaharlal Nehru Centre for Advanced Scientific Research, Sheikh Saqr
Laboratory and Department of Science and Technology (DST), India;
JNCASR; DST [SR/S2/RJN-24/2010]; U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; U.S.
Department of Energy (DOE)
FX We thank Jawaharlal Nehru Centre for Advanced Scientific Research,
Sheikh Saqr Laboratory and Department of Science and Technology (DST),
India for the financial support. U.S. thanks CSIR and R. J thanks JNCASR
and DST for research fellowship. S. C. P thanks DST for the Ramanujan
fellowship (Grant SR/S2/RJN-24/2010). Research at Argonne National
Laboratory is supported by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, under Contract no.
DE-AC02-06CH11357. We thank Prof. C. N. R. Rao for his constant support
and encouragement. XSD/PNC facilities and research at these facilities
are supported by the U.S. Department of Energy (DOE) and its founding
institutions.
NR 82
TC 3
Z9 3
U1 4
U2 12
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 2015
VL 44
IS 12
BP 5797
EP 5804
DI 10.1039/c4dt03783a
PG 8
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA CD9SS
UT WOS:000351439200057
PM 25714934
ER
PT J
AU Ansari, SA
Mohapatra, PK
Verboom, W
Zhang, ZC
Dau, PD
Gibson, JK
Rao, LF
AF Ansari, Seraj A.
Mohapatra, Prasanta K.
Verboom, Willem
Zhang, Zhicheng
Dau, Phuong D.
Gibson, John K.
Rao, Linfeng
TI Binding of pyrazine-functionalized calix[4]arene ligands with
lanthanides in an ionic liquid: thermodynamics and coordination modes
SO DALTON TRANSACTIONS
LA English
DT Article
ID F-ELEMENTS; PHOSPHORUS PRONUCLEOPHILES; EQUILIBRIUM-CONSTANTS; UNUSUAL
COMPLEXATION; EXTRACTION; DIGLYCOLAMIDES; ACTINIDE; EUROPIUM;
LUMINESCENCE; RECOGNITION
AB The complexation of representative lanthanides with three calix[4]arenes functionalized with four pyrazine pendent arms containing different substituents such as carbamoyl dioctyl (L-I), diisopropyl phosphonate (L-II), and diphenyl phosphoryl (L-III) was investigated in water-saturated 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide (BumimTf(2)N) by absorption spectroscopy, luminescence spectroscopy, and microcalorimetry. All three ligands form 1 : 1 ML complexes (M = Eu3+ and L = ligand), and the stability constants (log beta) follow the order: L-I (-1.38 +/- 0.66) << L-II (3.71 +/- 0.02) < L-III (7.47 +/- 0.03), similar to the trend in the metal distribution coefficients in solvent extraction using these ligands as extractants. The enthalpy of complexation, determined by microcalorimetry, shows that the complexation of lanthanides with these bulky ligands is exothermic, and proceeds via replacement of water molecules from the primary coordination spheres. The 1 : 1 stoichiometry of the ML complexes was confirmed by electrospray ionization mass spectrometry. Results from optical absorption, luminescence and P-31-NMR spectroscopy suggest that, out of four pendent arms on the rigid calixarene platform, only two arms coordinate with the lanthanide ion and each arm is tridentate. The influence of structural features of the ligand on the complexation of lanthanides is explained with the help of thermodynamic parameters.
C1 [Ansari, Seraj A.; Zhang, Zhicheng; Dau, Phuong D.; Gibson, John K.; Rao, Linfeng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Ansari, Seraj A.; Mohapatra, Prasanta K.] Bhabha Atom Res Ctr, Div Radiochem, Bombay 400085, Maharashtra, India.
[Verboom, Willem] Univ Twente, Inst Nanotechnol, Lab Mol Nanofabricat, NL-7500 AE Enschede, Netherlands.
RP Rao, LF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
EM LRao@lbl.gov
FU Office of Science, Office of Basic Energy Science of the U.S. Department
of Energy (DOE) at LBNL [DE-AC02-05CH11231]; Indo-US Science &
Technology Forum (IUSSTF)
FX This work was supported by the Director, Office of Science, Office of
Basic Energy Science of the U.S. Department of Energy (DOE), under
contract no. DE-AC02-05CH11231 at LBNL. SAA acknowledges the Indo-US
Science & Technology Forum (IUSSTF) for awarding a fellowship.
NR 24
TC 4
Z9 4
U1 6
U2 40
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 2015
VL 44
IS 14
BP 6416
EP 6422
DI 10.1039/c5dt00049a
PG 7
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA CE3QT
UT WOS:000351744000015
PM 25747665
ER
PT S
AU Pratt, ST
Jungen, C
AF Pratt, S. T.
Jungen, Ch.
BE Schneider, IF
Dulieu, O
Robert, J
TI General features of the dissociative recombination of polyatomic
molecules
SO DR2013: NINTH INTERNATIONAL CONFERENCE ON DISSOCIATIVE RECOMBINATION:
THEORY, EXPERIMENT, AND APPLICATIONS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 9th International Conference on Dissociative Recombination: Theory,
Experiment, and Applications
CY JUL 07-12, 2013
CL Paris, FRANCE
AB We discuss some aspects of a simple expression for the low-energy dissociative recombination cross section that applies when the recombination process is dominated by the indirect mechanism. In most previous applications, this expression has been applied to capture into vibrationally excited Rydberg states with the assumption that capture is always followed by prompt dissociation. Here we consider the dissociative recombination of larger polyatomic ions and electrons. More specifically, we consider capture into electronically core-excited Rydberg states, and begin to assess its potential importance for larger systems.
C1 [Pratt, S. T.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Jungen, Ch.] Univ Paris 11, Lab Aime Cotton CNRS, F-91405 Orsay, France.
[Jungen, Ch.] UCL, Dept Phys & Astron, London WC1E 6BT, England.
RP Pratt, ST (reprint author), Argonne Natl Lab, Bldg 200, Argonne, IL 60439 USA.
EM stpratt@anl.gov
NR 25
TC 0
Z9 0
U1 0
U2 2
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2015
VL 84
AR 04001
DI 10.1051/epjconf/20158404001
PG 5
WC Chemistry, Physical; Physics, Multidisciplinary
SC Chemistry; Physics
GA BC3PG
UT WOS:000351835100012
ER
PT J
AU Mason, CW
Lange, F
Saravanan, K
Lin, F
Nordlund, D
AF Mason, Chad W.
Lange, Felix
Saravanan, Kuppan
Lin, Feng
Nordlund, Dennis
TI Beyond Divalent Copper: A Redox Couple for Sodium Ion Battery Cathode
Materials
SO ECS ELECTROCHEMISTRY LETTERS
LA English
DT Article
ID RAY-ABSORPTION-SPECTROSCOPY; LI-ION; ELECTRODE; ALPHA-NAFEO2; P2-TYPE;
OXIDES
AB A P2-layered oxide using copper as the active redox metal has been discovered. It has a composition of Na2/3Cu1/3Mn2/3O2, and can withstand a thousand cycles, maintaining 61% of its original capacity. We demonstrate that copper can enable not only high voltage, but also excellent stability. This work opens up a new avenue of oxide design for high energy, cost effective battery systems. (C) The Author(s) 2015. Published by ECS.
C1 [Mason, Chad W.; Lange, Felix] TUM CREATE, Singapore 138602, Singapore.
[Saravanan, Kuppan; Lin, Feng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Nordlund, Dennis] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA.
RP Mason, CW (reprint author), TUM CREATE, Singapore 138602, Singapore.
EM chadwmason@gmail.com
RI Nordlund, Dennis/A-8902-2008
OI Nordlund, Dennis/0000-0001-9524-6908
FU Singapore National Research Foundation (NRF) through Campus for Research
Excellence and Technological Enterprise (CREATE) program; Stanford
Synchrotron Radiation Lightsource, Directorate of SLAC National
Accelerator Laboratory; U.S. Department of Energy Office of Science
FX The present work was supported by the Singapore National Research
Foundation (NRF) through its Campus for Research Excellence and
Technological Enterprise (CREATE) program. The authors acknowledge the
support of Stanford Synchrotron Radiation Lightsource, a Directorate of
SLAC National Accelerator Laboratory and an Office of Science User
Facility operated for the U.S. Department of Energy Office of Science by
Stanford University. Guidance and support from Dr. Guoying Chen and Dr.
Marca Doeff at LBNL is greatly appreciated. We thank Arun
Nagasubramanian, Steffen Schluter, Shahnaz Ghasemi, Heryani Ahmad, Irina
Gocheva, and Denis Yu for discussions and support. We also thank Dr.
Ryan Davis for assisting with the synchrotron experiments.
NR 30
TC 0
Z9 0
U1 5
U2 34
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 2162-8726
EI 2162-8734
J9 ECS ELECTROCHEM LETT
JI ECS Electrochem. Lett.
PY 2015
VL 4
IS 5
BP A1
EP A4
DI 10.1149/2.0041505ee1
PG 4
WC Electrochemistry; Materials Science, Multidisciplinary
SC Electrochemistry; Materials Science
GA CE3CJ
UT WOS:000351701600001
ER
PT B
AU Edelstein, FS
AF Edelstein, Frederick S.
BE Cooper, BS
Cibulka, JG
Fusarelli, LD
TI ADVOCATES AND PARTNERS FOR EDUCATION EXCELLENCE A 21st-Century Role for
Mayors
SO HANDBOOK OF EDUCATION POLITICS AND POLICY, 2ND EDITION
LA English
DT Article; Book Chapter
C1 [Edelstein, Frederick S.] US DOE, Washington, DC 20585 USA.
NR 39
TC 0
Z9 0
U1 0
U2 0
PU ROUTLEDGE
PI ABINGDON
PA 2 PARK SQ, MILTON PARK, ABINGDON OX14 4RN, OXFORD, ENGLAND
BN 978-0-415-66044-0; 978-0-203-07410-7; 978-0-415-66042-6
PY 2015
BP 62
EP 85
PG 24
WC Education & Educational Research; Public Administration
SC Education & Educational Research; Public Administration
GA BB9SS
UT WOS:000348597900004
ER
PT J
AU Duan, S
Peisert, S
Levitt, KN
AF Duan, Sisi
Peisert, Sean
Levitt, Karl N.
TI hBFT: Speculative Byzantine Fault Tolerance with Minimum Cost
SO IEEE TRANSACTIONS ON DEPENDABLE AND SECURE COMPUTING
LA English
DT Article
DE Distributed systems; client/server; fault tolerance; state machine
replication
ID ASYNCHRONOUS CONSENSUS; FAILURE DETECTOR; REPLICATION; SECURITY
AB We present hBFT, a hybrid, Byzantine fault-tolerant, replicated state machine protocol with optimal resilience. Under normal circumstances, hBFT uses speculation, i.e., replicas directly adopt the order from the primary and send replies to the clients. As in prior work such as Zyzzyva, when replicas are out of order, clients can detect the inconsistency and help replicas converge on the total ordering. However, we take a different approach than previous work that has four distinct benefits: it requires many fewer cryptographic operations, it moves critical jobs to the clients with no additional costs, faulty clients can be detected and identified, and performance in the presence of client participation will not degrade as long as the primary is correct. The correctness is guaranteed by a three-phase checkpoint subprotocol similar to PBFT, which is tailored to our needs. The protocol is triggered by the primary when a certain number of requests are executed or by clients when they detect an inconsistency.
C1 [Duan, Sisi; Peisert, Sean; Levitt, Karl N.] Univ Calif Davis, Dept Comp Sci, Davis, CA 95616 USA.
[Peisert, Sean] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Duan, S (reprint author), Univ Calif Davis, Dept Comp Sci, Davis, CA 95616 USA.
EM sduan@cs.ucdavis.edu; peisert@cs.ucdavis.edu; levitt@cs.ucdavis.edu
FU National Science Foundation [CCF-1018871]
FX The authors would like to thank Matt Bishop, Jeff Rowe, Haibin Zhang,
Hein Meling, Tiancheng Chang, and Leander Jehi for their helpful
comments and contributions to the paper. This research was based on work
supported by the National Science Foundation under Grant Number
CCF-1018871. Any opinions, findings, and conclusions or recommendations
expressed in this material are those of the authors and do not
necessarily reflect those of the National Science Foundation.
NR 33
TC 2
Z9 2
U1 0
U2 2
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1545-5971
EI 1941-0018
J9 IEEE T DEPEND SECURE
JI IEEE Trans. Dependable Secur. Comput.
PD JAN-FEB
PY 2015
VL 12
IS 1
BP 58
EP 70
DI 10.1109/TDSC.2014.2312331
PG 13
WC Computer Science, Hardware & Architecture; Computer Science, Information
Systems; Computer Science, Software Engineering
SC Computer Science
GA CE7XC
UT WOS:000352054200005
ER
PT J
AU Lund, CH
Bromley, JR
Stenbaek, A
Rasmussen, RE
Scheller, HV
Sakuragi, Y
AF Lund, Christian H.
Bromley, Jennifer R.
Stenbaek, Anne
Rasmussen, Randi E.
Scheller, Henrik V.
Sakuragi, Yumiko
TI A reversible Renilla luciferase protein complementation assay for rapid
identification of protein-protein interactions reveals the existence of
an interaction network involved in xyloglucan biosynthesis in the plant
Golgi apparatus
SO JOURNAL OF EXPERIMENTAL BOTANY
LA English
DT Article
DE Arabidopsis thaliana; glycosyltransferase; Golgi apparatus; Nicotiana
benthamiana; plant cell wall; polysaccharides; protein-protein
interaction; Renilla luciferase; type II membrane protein; xyloglucan
ID CELL-WALL BIOSYNTHESIS; GREEN FLUORESCENT PROTEIN; RESONANCE
ENERGY-TRANSFER; GLUCAN SYNTHASE CSLC4; INTERACTIONS IN-VIVO;
MEMBRANE-PROTEIN; GLUCURONOXYLAN BIOSYNTHESIS; UDP-ARABINOFURANOSE;
FUNCTIONAL GENOMICS; ENZYME COMPLEXES
AB A growing body of evidence suggests that protein-protein interactions (PPIs) occur amongst glycosyltransferases (GTs) required for plant glycan biosynthesis (e.g. cell wall polysaccharides and N-glycans) in the Golgi apparatus, and may control the functions of these enzymes. However, identification of PPIs in the endomembrane system in a relatively fast and simple fashion is technically challenging, hampering the progress in understanding the functional coordination of the enzymes in Golgi glycan biosynthesis. To solve the challenges, we adapted and streamlined a reversible Renilla luciferase protein complementation assay (Rluc-PCA), originally reported for use in human cells, for transient expression in Nicotiana benthamiana. We tested Rluc-PCA and successfully identified luminescence complementation amongst Golgi-localizing GTs known to form a heterodimer (GAUT1 and GAUT7) and those which homooligomerize (ARAD1). In contrast, no interaction was shown between negative controls (e.g. GAUT7, ARAD1, IRX9). Rluc-PCA was used to investigate PPIs amongst Golgi-localizing GTs involved in biosynthesis of hemicelluloses. Although no PPI was identified among six GTs involved in xylan biosynthesis, Rluc-PCA confirmed three previously proposed interactions and identified seven novel PPIs amongst GTs involved in xyloglucan biosynthesis. Notably, three of the novel PPIs were confirmed by a yeast-based split-ubiquitin assay. Finally, Gateway-enabled expression vectors were generated, allowing rapid construction of fusion proteins to the Rluc reporters and epitope tags. Our results show that Rluc-PCA coupled with transient expression in N. benthamiana is a fast and versatile method suitable for analysis of PPIs between Golgi resident proteins in an easy and mid-throughput fashion in planta.
C1 [Lund, Christian H.; Bromley, Jennifer R.; Stenbaek, Anne; Rasmussen, Randi E.; Sakuragi, Yumiko] Univ Copenhagen, Dept Plant Biol & Biotechnol, DK-1871 Frederiksberg, Denmark.
[Bromley, Jennifer R.; Scheller, Henrik V.] Joint BioEnergy Inst, Feedstocks Div, Emeryville, CA 94608 USA.
[Bromley, Jennifer R.; Scheller, Henrik V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Scheller, Henrik V.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.
RP Sakuragi, Y (reprint author), Univ Copenhagen, Dept Plant Biol & Biotechnol, DK-1871 Frederiksberg, Denmark.
EM ysa@plen.ku.dk
RI Bromley, Jennifer/C-6632-2015; Scheller, Henrik/A-8106-2008;
OI Scheller, Henrik/0000-0002-6702-3560; Bromley,
Jennifer/0000-0002-2333-1238; Sakuragi, Yumiko/0000-0002-9405-5197
FU Danish Advanced Technology Foundation [001-2011-4]; Danish Council for
Strategic Research [12-131834]; Nordic Research Energy (AquaFEED) [24];
European Union [ENERGY-2010-1, 256808]; People Programme Marie Curie
Actions (PHOTO. COMM) [317184]; U.S. Department of Energy Office of
Science; U.S. Department of Energy Office of Biological and
Environmental Research [DE-AC02-05CH11231]
FX This work was supported by the Danish Advanced Technology Foundation
(Biomass for the 21st century, grant number 001-2011-4); The Danish
Council for Strategic Research (Plant Power, grant number 12-131834);
Nordic Research Energy (AquaFEED, grant number 24); European Union's
Seventh Framework Programme FP7 (ENERGY-2010-1 DirectFuel, grant number
256808); The People Programme Marie Curie Actions (PHOTO. COMM, grant
number 317184), and The U.S. Department of Energy Office of Science and
Office of Biological and Environmental Research (contract no.
DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the
U.S. Department of Energy).
NR 71
TC 7
Z9 7
U1 4
U2 16
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0022-0957
EI 1460-2431
J9 J EXP BOT
JI J. Exp. Bot.
PD JAN
PY 2015
VL 66
IS 1
BP 85
EP 97
DI 10.1093/jxb/eru401
PG 13
WC Plant Sciences
SC Plant Sciences
GA CE2QR
UT WOS:000351660900008
PM 25326916
ER
PT J
AU Huang, JH
Shkrob, IA
Wang, PQ
Cheng, L
Pan, BF
He, MN
Liao, C
Zhang, ZC
Curtiss, LA
Zhang, L
AF Huang, Jinhua
Shkrob, Ilya A.
Wang, Peiqi
Cheng, Lei
Pan, Baofei
He, Meinan
Liao, Chen
Zhang, Zhengcheng
Curtiss, Larry A.
Zhang, Lu
TI 1,4-Bis(trimethylsilyl)-2,5-dimethoxybenzene: a novel redox shuttle
additive for overcharge protection in lithium-ion batteries that doubles
as a mechanistic chemical probe
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID ELECTROLYTE INTERFACE SEI; OVERDISCHARGE PROTECTION; RADICAL CATIONS;
PERFORMANCE; DERIVATIVES; REDUCTION; CARBONATE; MATRICES; BENZENE; CELLS
AB A novel redox shuttle additive, 1,4-bis(trimethylsilyl)-2,5-dimethoxybenzene (BTMSDB), is shown to deliver superb overcharge protection of LiFePO4 electrode in Li-ion batteries. Using this molecule as a chemical probe, we trace the cause of the eventual failure of this additive to the gradual loss of steric protection in the corresponding radical cation, providing the much needed mechanistic insight in the factors controlling the long-term efficiency of overcharge protection.
C1 [Huang, Jinhua; Cheng, Lei; Pan, Baofei; Liao, Chen; Curtiss, Larry A.; Zhang, Lu] Argonne Natl Lab, Joint Ctr Energy Storage Res, Argonne, IL 60439 USA.
[Huang, Jinhua; Shkrob, Ilya A.; Wang, Peiqi; Pan, Baofei; He, Meinan; Liao, Chen; Zhang, Zhengcheng; Zhang, Lu] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Cheng, Lei; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
RP Zhang, L (reprint author), Argonne Natl Lab, Joint Ctr Energy Storage Res, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM luzhang@anl.gov
RI Pan, Baofei/H-2867-2015;
OI Liao, Chen/0000-0001-5168-6493
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences and Biosciences
[DE-AC02-06CH11357]; Joint Center for Energy Storage Research (JCESR),
an Energy Innovation Hub - U.S. Department of Energy, Office of Science,
Basic Energy Sciences
FX This work was supported by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, Division of Chemical Sciences,
Geosciences and Biosciences under contract No. DE-AC02-06CH11357; it was
also supported as part of the Joint Center for Energy Storage Research
(JCESR), an Energy Innovation Hub funded by the U.S. Department of
Energy, Office of Science, Basic Energy Sciences.
NR 32
TC 12
Z9 13
U1 6
U2 43
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
EI 2050-7496
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2015
VL 3
IS 14
BP 7332
EP 7337
DI 10.1039/c5ta00899a
PG 6
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CE5BR
UT WOS:000351845400018
ER
PT J
AU Yang, ZZ
Trahey, L
Ren, Y
Chan, MKY
Lin, CK
Okasinski, J
Thackeray, MM
AF Yang, Zhenzhen
Trahey, Lynn
Ren, Yang
Chan, Maria K. Y.
Lin, Chikai
Okasinski, John
Thackeray, Michael M.
TI In situ high-energy synchrotron X-ray diffraction studies and first
principles modeling of alpha-MnO2 electrodes in Li-O-2 and Li-ion coin
cells
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID RECHARGEABLE LITHIUM BATTERIES; AIR BATTERIES; MANGANESE-DIOXIDE; OXYGEN
BATTERIES; LI/AIR BATTERIES; CATALYST; CATHODE; ELECTROLYTES;
PERSPECTIVE; STABILITY
AB Despite their technological challenges, non-aqueous rechargeable lithium-oxygen cells offer extremely high theoretical energy densities and are therefore attracting much attention in a rapidly emerging area of electrochemical research. Early results have suggested that, among the transition metal oxides, alpha manganese dioxide (alpha-MnO2) appears to offer electrocatalytic properties that can enhance the electrochemical properties of Li-O-2 cells, particularly during the early cycles. In this study, we have investigated the hybrid Li-ion/Li-O-2 character of alpha-MnO2 electrodes in Li-O-2 coin cells by in situ high-energy synchrotron X-ray diffraction, and compared the results with conventional Li/alpha-MnO2 coin cells assembled under argon. Complementary first principles density functional theory calculations have been used to shed light on competing lithium insertion and lithium and oxygen insertion reactions within the alpha-MnO2 tunnel structure during discharge, relative to lithium peroxide or lithium oxide formation.
C1 [Yang, Zhenzhen; Trahey, Lynn; Lin, Chikai; Thackeray, Michael M.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Ren, Yang; Okasinski, John] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
[Chan, Maria K. Y.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
RP Chan, MKY (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM mchan@anl.gov
FU Center for Electrochemical Energy Science, an Energy Frontier Research
Center - US Department of Energy, Office of Science, Basic Energy
Sciences [DE-AC02-06CH11]; DOE [DE-AC02-06CH11357]; Center for Nanoscale
Materials, a U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences User Facility [DE-AC02-06CH11357]
FX This work was supported as a part of the Center for Electrochemical
Energy Science, an Energy Frontier Research Center funded by the US
Department of Energy, Office of Science, Basic Energy Sciences under
award number DE-AC02-06CH11. Use of the Advanced Photon Source, a US DOE
Office of Science User Facility operated by Argonne National Laboratory,
was supported by DOE under Contract no. DE-AC02-06CH11357. This work was
performed, in part, at the Center for Nanoscale Materials, a U.S.
Department of Energy, Office of Science, Office of Basic Energy Sciences
User Facility under Contract No. DE-AC02-06CH11357. Naba K. Karan,
Mahalingam Balasubramanian, Rick Spence and Charles Kurtz are thanked
for their kind help with the in situ cell design and fabrication.
NR 48
TC 8
Z9 8
U1 10
U2 60
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 2015
VL 3
IS 14
BP 7389
EP 7398
DI 10.1039/c4ta06633b
PG 10
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CE5BR
UT WOS:000351845400026
ER
PT J
AU King, G
Ishida, K
Page, K
Fukuda, Y
Albessard, AK
Hattori, Y
Hiramatsu, R
Mitsuishi, I
Okada, A
Kato, M
Fukushima, N
AF King, Graham
Ishida, Kunio
Page, Katharine
Fukuda, Yumi
Albessard, Ariane Keiko
Hattori, Yasushi
Hiramatsu, Ryosuke
Mitsuishi, Iwao
Okada, Aoi
Kato, Masahiro
Fukushima, Noburu
TI Cation and anion ordering in Sr2Si7Al3ON13 phosphors
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID LIGHT-EMITTING-DIODES; WHITE LEDS; PHOTOLUMINESCENCE; GAS
AB A series of photoluminescent Ce3+ doped samples with compositions close to Sr2Si7Al3ON13: Ce have been studied by neutron powder diffraction to determine the Si4+/Al3+ and N3-/O2- site ordering. Contrary to a commonly held assumption that the edge sharing tetrahedral sites in this structure are occupied exclusively by Al3+, we find a partial occupancy of Al3+ on these site but also an unexpected preference for Al3+ to occupy 2 other tetrahedral sites which are only corner sharing. From the crystal structures and local structures, as determined by pair distribution function (PDF) analysis, we also find evidence for alternating Si-Al site ordering within the edge sharing chains as well as dimerization of the Si4+ and Al3+ cations within these chains. The O2- are found to be partially ordered onto 2 of the anion sites, although small amounts of O2- are found on other sites as well. The cation and anion ordering found by neutron diffraction is supported by theoretical calculations. Understanding cation and anion ordering is essential for optimizing the photoluminescence properties of this promising class of phosphor materials.
C1 [King, Graham; Page, Katharine] Los Alamos Natl Lab, Lujan Neutron Scattering Ctr, Los Alamos, NM 87545 USA.
[Ishida, Kunio; Fukuda, Yumi; Albessard, Ariane Keiko; Hattori, Yasushi; Hiramatsu, Ryosuke; Mitsuishi, Iwao; Okada, Aoi; Kato, Masahiro; Fukushima, Noburu] Toshiba Co Ltd, Corp Res & Dev Ctr, Saiwai Ku, Kawasaki, Kanagawa 2128582, Japan.
[Page, Katharine] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA.
RP King, G (reprint author), Los Alamos Natl Lab, Lujan Neutron Scattering Ctr, Los Alamos, NM 87545 USA.
EM gking@lanl.gov; ishida@arl.rdc.toshiba.co.jp
RI Page, Katharine/C-9726-2009; King, Graham/E-3632-2010
OI Page, Katharine/0000-0002-9071-3383; King, Graham/0000-0003-1886-7254
FU Los Alamos National Security, LLC under DOE [DE-AC52 06NA25396]; Toshiba
Corporation
FX This work benefited from the use of the HIPD and NPDF instruments at the
Lujan Neutron Scattering Center at Los Alamos Neutron Science Center.
Los Alamos National Laboratory is operated by Los Alamos National
Security, LLC under DOE Contract No. DE-AC52 06NA25396. Funding for this
project was provided by Toshiba Corporation. The authors are also
grateful to M. Tohyama and M. Ezaki for valuable discussions.
NR 20
TC 2
Z9 2
U1 1
U2 10
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 2015
VL 3
IS 13
BP 3135
EP 3140
DI 10.1039/c5tc00060b
PG 6
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA CE1VQ
UT WOS:000351601200020
ER
PT J
AU Gu, PY
Ma, Y
He, JH
Long, GK
Wang, CY
Chen, WQ
Liu, Y
Xu, QF
Lu, JM
Zhang, QC
AF Gu, Pei-Yang
Ma, Yong
He, Jing-Hui
Long, Guankui
Wang, Chengyuan
Chen, Wangqiao
Liu, Yi
Xu, Qing-Feng
Lu, Jian-Mei
Zhang, Qichun
TI The substituent group effect on the morphology and memory performance of
phenazine derivatives
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID NONVOLATILE MEMORY; AQUEOUS-SOLUTION; THIN-FILM; DEVICES;
MICROPARTICLES; NANOPARTICLES; HETEROACENE; COMPOUND; STORAGE
AB In this paper, we focused on how the film morphology changes can affect the memory performance based on phenazine derivatives because the performance of many devices is strongly dependent on the morphology of organic molecules in the as-prepared films. To address this point, two phenazine derivatives, 7,8-bis(decyloxy)-3-(2-hydroxy-4,5-dinitrophenoxy) phenazin-2-ol (2OHPz) and 7,8-bis(decyloxy)3-( 2-(decyloxy)-4,5-dinitrophenoxy) phenazin-2-ol (1OHPz), have been successfully synthesized and characterized. These two compounds have the same electron-withdrawing groups (nitro and pyrazine) and molecular backbone, but different terminal substituted groups, which would be very helpful for us to understand how substituted groups affect the morphology and device performance. In fact, the sandwich-structured memory devices based on ITO/2OHPz/Al exhibited excellent ternary memory behavior with high ON2/ON1/OFF current ratios of 10(8.8)/10(3)/1 at switching threshold voltages of -1.80 V/-3.62 V while the memory devices based on ITO/1OHPz/Al displayed binary memory behavior with ON/OFF current ratios of 107.5/1 at a switching threshold voltage of -3.0 V. The different memory behaviors are attributed to the different molecular packing in the two phenazine derivatives, which is confirmed by AFM, XRD and UV-vis absorption. The AFM height image of the 2OHPz film thermally evaporated onto the ITO surface indicates the formation of self-organized fibril structures, which is in sharp contrast to that of the 1OHPz film. This variation suggests different degrees of aggregation in these films, which is also in accordance with the XRD and UV-vis absorption results. There is one diffraction peak at 2 theta 16.11 degrees for the film of 2OHPz, indicating the formation of a more ordered structure in the thin film. In contrast, there is no obvious diffraction peak in the film of 1OHPz. Moreover, the UV-vis absorption wavelength of the thin film of 2OHPz is blue-shifted by similar to 10 nm more than that of 1OHPz film compared to those in dichloromethane.
C1 [Gu, Pei-Yang; Long, Guankui; Wang, Chengyuan; Chen, Wangqiao; Zhang, Qichun] Nanyang Technol Univ, Sch Mat Sci & Engn, Singapore 639798, Singapore.
[Ma, Yong; He, Jing-Hui; Xu, Qing-Feng; Lu, Jian-Mei] Soochow Univ, Coll Chem Chem Engn & Mat Sci, Suzhou 215123, Peoples R China.
[Liu, Yi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry & Adv Light Source, Berkeley, CA 94720 USA.
[Zhang, Qichun] Nanyang Technol Univ, Div Chem & Biol Chem, Sch Phys & Math Sci, Singapore 637371, Singapore.
RP Zhang, QC (reprint author), Nanyang Technol Univ, Sch Mat Sci & Engn, Singapore 639798, Singapore.
EM xuqingfeng@suda.edu.cn; lujm@suda.edu.cn; qczhang@ntu.edu.sg
RI zhang, qichun/A-2253-2011; Liu, yi/A-3384-2008; Foundry,
Molecular/G-9968-2014; Wang, Chengyuan/G-3687-2016;
OI Liu, yi/0000-0002-3954-6102; Long, Guankui/0000-0002-1826-3736
FU AcRF Tier 1 [RG 16/12]; MOE [ARC 20/12, ARC 2/13]; NRF
FX P.-Y. Gu thanks Ms Tan Si Yu and Prof Yanli Zhao for helping us to test
the HRMS. Q.Z. acknowledges financial support from AcRF Tier 1 (RG
16/12) and Tier 2 (ARC 20/12 and ARC 2/13) from MOE, and the CREATE
program (Nanomaterials for Energy and Water Management) from NRF.
NR 32
TC 8
Z9 8
U1 4
U2 21
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 2015
VL 3
IS 13
BP 3167
EP 3172
DI 10.1039/c5tc00003c
PG 6
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA CE1VQ
UT WOS:000351601200024
ER
PT S
AU Loch, SD
Ballance, CP
Pindzola, MS
Griffin, DC
Colgan, JP
Badnell, NR
O'Mullane, MG
AF Loch, S. D.
Ballance, C. P.
Pindzola, M. S.
Griffin, D. C.
Colgan, J. P.
Badnell, N. R.
O'Mullane, M. G.
GP IOP
TI Generalized Collisional Radiative Model for Light Elements: C: Data for
the B Isonuclear Sequence
SO LIGHT ELEMENT ATOM, MOLECULE AND RADICAL BEHAVIOUR IN THE DIVERTOR AND
EDGE PLASMA REGIONS
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT Conference on Light Element Atom, Molecule and Radical Behaviour in the
Divertor and Edge Plasma Regions
CY NOV 18-MAR 22, 2009-2013
CL Vienna, AUSTRIA
ID FINITE-DENSITY PLASMAS; DIELECTRONIC RECOMBINATION DATA; ELECTRON-IMPACT
EXCITATION; ISOELECTRONIC SEQUENCE; R-MATRIX; HYDROGENIC IONS;
IONIZATION; STATES; POPULATIONS; BORON
AB A first stage collision database is assembled which contains electron-impact excitation, ionization, and recombination rate coefficients for B, B+, B2+, B3+, and B4+. The first stage database is constructed using the R-matrix with pseudostates, time-dependent close-coupling, and perturbative distorted-wave methods. A second stage collision database is then assembled which contains generalized collisional-radiative ionization, recombination, and power loss rate coefficients as a function of both temperature and density. The second stage database is constructed by solution of the collisional-radiative equations in the quasi-static equilibrium approximation using the first stage database. Both collision database stages reside in electronic form at the IAEA Labeled Atomic Data Interface (ALADDIN) database and the Atomic Data Analysis Structure (ADAS) open database.
C1 [Loch, S. D.; Ballance, C. P.; Pindzola, M. S.] Auburn Univ, Dept Phys, Auburn, AL 36849 USA.
[Griffin, D. C.] Dept Phys, Rollins Coll, Winter Pk, FL 32789 USA.
[Colgan, J. P.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Badnell, N. R.; O'Mullane, M. G.] Univ Strathclyde, Dept Phys, Glasgow G4 0NG, Lanark, Scotland.
RP Loch, SD (reprint author), Auburn Univ, Dept Phys, Auburn, AL 36849 USA.
NR 26
TC 0
Z9 0
U1 1
U2 4
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 576
AR 012004
DI 10.1088/1742-6596/576/1/012004
PG 19
WC Physics, Fluids & Plasmas; Physics, Multidisciplinary
SC Physics
GA BC3YP
UT WOS:000352094600004
ER
PT S
AU Schultz, DR
Stancil, PC
Havener, CC
AF Schultz, D. R.
Stancil, P. C.
Havener, C. C.
GP IOP
TI State-selective charge transfer cross sections for light ion impact of
atomic hydrogen
SO LIGHT ELEMENT ATOM, MOLECULE AND RADICAL BEHAVIOUR IN THE DIVERTOR AND
EDGE PLASMA REGIONS
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT Conference on Light Element Atom, Molecule and Radical Behaviour in the
Divertor and Edge Plasma Regions
CY NOV 18-MAR 22, 2009-2013
CL Vienna, AUSTRIA
ID SPECTROSCOPY; TEMPERATURE
AB Owing to the utility of diagnosing plasma properties such as impurity concentration and spatial distribution, and plasma temperature and rotation, by detection of photon emission following capture of electrons from atomic hydrogen to excited states of multiply charged ions, new calculations of state-selective charge transfer involving light ions have been carried out using the atomic orbital close-coupling and the classical trajectory Monte Carlo methods. By comparing these with results of other approaches applicable in a lower impact energy regime, and by benchmarking them using key experimental data, knowledge of the cross sections can be made available across the range parameters needed by fusion plasma diagnostics.
C1 [Schultz, D. R.] Univ N Texas, Dept Phys, Denton, TX 76203 USA.
[Stancil, P. C.] Univ Georgia, Dept Phys & Astron, Athens, GA 30602 USA.
[Havener, C. C.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.
RP Schultz, DR (reprint author), Univ N Texas, Dept Phys, Denton, TX 76203 USA.
NR 10
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2015
VL 576
AR 012009
DI 10.1088/1742-6596/576/1/012009
PG 7
WC Physics, Fluids & Plasmas; Physics, Multidisciplinary
SC Physics
GA BC3YP
UT WOS:000352094600009
ER
PT J
AU Terban, MW
Johnson, M
Di Michiel, M
Billinge, SJL
AF Terban, Maxwell W.
Johnson, Matthew
Di Michiel, Marco
Billinge, Simon J. L.
TI Detection and characterization of nanoparticles in suspension at low
concentrations using the X-ray total scattering pair distribution
function technique
SO NANOSCALE
LA English
DT Article
ID GOLD NANOPARTICLES; PLATINUM NANOPARTICLES; WATCHING NANOPARTICLES;
PARTICLE GROWTH; PRUSSIAN BLUE; DIFFRACTION; EVOLUTION; KINETICS; PDF;
NANOSTRUCTURE
AB Difference atomic pair distribution function methods have been applied to detect and characterize nanoparticles suspended in a solvent at very dilute concentrations. We specifically consider nanoparticles of a pharmaceutical compound in aqueous solution using X-ray PDF methods, a challenging case due to the low atomic number of the nanoparticle species. The nanoparticles were unambiguously detected at the level of 0.25 wt%. Even at these low concentrations the signals were highly reproducible, allowing for reliable detection and quantitative analysis of the nanoparticle structure.
C1 [Terban, Maxwell W.; Billinge, Simon J. L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
[Johnson, Matthew] GlaxoSmithKline Med Res Ctr, Stevenage SG1 2NY, Herts, England.
[Di Michiel, Marco] ESRF, F-38043 Grenoble 9, France.
[Billinge, Simon J. L.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
RP Billinge, SJL (reprint author), Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
EM sb2896@columbia.edu
FU Laboratory Directed Research and Development (LDRD) program (Complex
Modeling) at Brookhaven National Laboratory (BNL) - Office of Science,
US Department of Energy (OS-DOE) [12-007, DE-SC00112704]; Columbia
University Energy Frontier Research Center (EFRC) - U.S. Department of
Energy, Basic Energy Sciences (DOE-BES) [DE-SC0001085]
FX The authors thank M. Jamieson for help with the manuscript and
acknowledge the ESRF for the award of in-house experimental time. Work
in the S.J.L.B. group was supported by the Laboratory Directed Research
and Development (LDRD) program 12-007 (Complex Modeling) at Brookhaven
National Laboratory (BNL) which is supported by the Office of Science,
US Department of Energy (OS-DOE), under Contract no. DE-SC00112704. M.T.
was partially supported by the Columbia University Energy Frontier
Research Center (EFRC) funded by the U.S. Department of Energy, Basic
Energy Sciences (DOE-BES), under grant no. DE-SC0001085.
NR 59
TC 8
Z9 8
U1 6
U2 30
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 2015
VL 7
IS 12
BP 5480
EP 5487
DI 10.1039/c4nr06486k
PG 8
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CD8UR
UT WOS:000351372400045
PM 25732228
ER
PT J
AU Pham, VH
Gebre, T
Dickerson, JH
AF Viet Hung Pham
Gebre, Tesfaye
Dickerson, James H.
TI Facile electrodeposition of reduced graphene oxide hydrogels for
high-performance supercapacitors
SO NANOSCALE
LA English
DT Article
ID REDOX-ACTIVE ELECTROLYTE; ELECTROCHEMICAL CAPACITORS; ENERGY-STORAGE;
DISPERSIONS
AB We report both a facile, scalable method to prepare reduced graphene oxide hydrogels through the electrodeposition of graphene oxide and its use as an electrode for high-performance supercapacitors. Such systems exhibited specific capacitances of 147 and 223 F g(-1) at a current density of 10 A g(-1) when using H2SO4 and H2SO4 + hydroquinone redox electrolytes, respectively.
C1 [Viet Hung Pham; Dickerson, James H.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Gebre, Tesfaye] Florida A&M Univ, Dept Phys, Tallahassee, FL 32307 USA.
RP Dickerson, JH (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
EM jdickerson@bnl.gov
FU U.S. Department of Energy, Office of Basic Energy Sciences
[DE-AC02-98CH10886]
FX This work was performed at the Center for Functional Nanomaterials,
Brookhaven National Laboratory, which is supported by the U.S.
Department of Energy, Office of Basic Energy Sciences, under Contract
no. DE-AC02-98CH10886.
NR 31
TC 10
Z9 10
U1 5
U2 58
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 2015
VL 7
IS 14
BP 5947
EP 5950
DI 10.1039/c4nr07508k
PG 4
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CE6GL
UT WOS:000351934700003
PM 25766250
ER
PT J
AU Pascal, TA
Pemmaraju, CD
Prendergast, D
AF Pascal, Tod A.
Pemmaraju, C. D.
Prendergast, David
TI X-ray spectroscopy as a probe for lithium polysulfide radicals
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID ABSORPTION-SPECTROSCOPY; SULFUR BATTERIES; ALKALI POLYSULFIDES;
HIGH-CAPACITY; PSEUDOPOTENTIALS; DENSITY; CATHODE; ANION;
HEXAMETHYLPHOSPHORAMIDE; DIFFRACTION
AB The discharge mechanism in lithium sulfur batteries is still unknown and has been purported to involve significant concentrations of polysulfide radicals. Methods capable of quantifying these species in solution are therefore of paramount importance to revealing electrochemical pathways. Here we utilize DFT based X-ray Absorption Spectroscopy (XAS) simulations at the sulfur K-edge to obtain the spectra of polysulfide molecules in neutral, radical (-1) and dianionic (-2) charge states. Our calculations indicate that, contrary to recent propositions, the observed low energy, pre-edge feature in S K-edge XAS near 2470 eV is not exclusively due to radical species, but rather arises predominantly from core-excitations of terminal atoms, at the ends of linear polysulfides, to sigma* orbitals, consistent with our previous results for the dianionic species. We do however find a spectral feature unique to radicals, lying 0.5-1 eV below the established pre-edge, that arises from 1s -> pi* transitions of the terminal atoms. Existing measurements on polysulfides show no evidence for such transitions. We predict that detection of linear radicals in polysulfide mixtures using XAS is limited to high mole fractions (>20%), due to the relatively weak XAS intensity of this pi* feature.
C1 [Pascal, Tod A.; Pemmaraju, C. D.; Prendergast, David] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
RP Pascal, TA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
EM tod.a.cp@gmail.com; dgprendergast@lbl.gov
RI Foundry, Molecular/G-9968-2014
FU Energy Efficiency and Renewable Energy, Office of Vehicle Technologies
of the U.S. Department of Energy under the Batteries for Advanced
Transportation Technologies (BATT) Program [DE-AC02-05CH11231];
Laboratory Directed Research and Development grant at Lawrence Berkeley
National Laboratory; Office of Science, Office of Basic Energy Sciences,
of the U.S. Department of Energy [DE-AC02-05CH11231]; Office of Science
of the U.S. Department of Energy [DE-AC02-05CH11231]
FX During the review stage of this manuscript, we were alerted to an
experimental study of dissolved lithium polysulfides in a working Li-S
cell57 where the trisulfur radical was identified based on a
low energy feature on the XAS near 2468.5 eV, exactly as predicted in
this work. We thank reviewer #2 for bringing this to our attention. 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 DE-AC02-05CH11231 under the Batteries for
Advanced Transportation Technologies (BATT) Program and a Laboratory
Directed Research and Development grant at Lawrence Berkeley National
Laboratory. Theory and simulations by TAP and DP were performed as part
of a user project at the Molecular Foundry, Lawrence Berkeley National
Laboratory supported by the Office of Science, Office of Basic Energy
Sciences, of the U.S. Department of Energy under Contract No.
DE-AC02-05CH11231. The methodology for spin-dependent spectral
simulations was developed and implemented by CDP at the Molecular
Foundry. Spectral simulations used resources of the National Energy
Research Scientific Computing Center, which is supported by the Office
of Science of the U.S. Department of Energy under Contract No.
DE-AC02-05CH11231.
NR 57
TC 10
Z9 10
U1 9
U2 50
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2015
VL 17
IS 12
BP 7743
EP 7753
DI 10.1039/c4cp05316h
PG 11
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA CD9SB
UT WOS:000351437500019
PM 25714776
ER
PT J
AU Sun, CN
Zawodzinski, TA
Tenhaeff, WE
Ren, F
Keum, JK
Bi, S
Li, DW
Ahn, SK
Hong, KL
Rondinone, AJ
Carrillo, JMY
Do, C
Sumptergh, BG
Chen, JH
AF Sun, Che-Nan
Zawodzinski, Thomas A., Jr.
Tenhaeff, Wyatt E.
Ren, Fei
Keum, Jong Kahk
Bi, Sheng
Li, Dawen
Ahn, Suk-Kyun
Hong, Kunlun
Rondinone, Adam J.
Carrillo, Jan-Michael Y.
Do, Changwoo
Sumptergh, Bobby G.
Chen, Jihua
TI Nanostructure enhanced ionic transport in fullerene reinforced solid
polymer electrolytes
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID METHYL-ESTER PCBM; POLY(ETHYLENE OXIDE); SOLAR-CELLS; CONDUCTIVITY
BEHAVIOR; MECHANICAL-PROPERTIES; LITHIUM BATTERIES; CRYSTAL-STRUCTURE;
MOLECULAR-WEIGHT; MORPHOLOGY; CRYSTALLIZATION
AB Solid polymer electrolytes, such as polyethylene oxide (PEO) based systems, have the potential to replace liquid electrolytes in secondary lithium batteries with flexible, safe, and mechanically robust designs. Previously reported PEO nanocomposite electrolytes routinely use metal oxide nanoparticles that are often 5-10 nm in diameter or larger. The mechanism of those oxide particle-based polymer nanocomposite electrolytes is under debate and the ion transport performance of these systems is still to be improved. Herein we report a 6-fold ion conductivity enhancement in PEO/lithium bis(trifluoromethanesulfonyl) imide (LiTFSI)-based solid electrolytes upon the addition of fullerene derivatives. The observed conductivity improvement correlates with nanometer-scale fullerene crystallite formation, reduced crystallinities of both the (PEO) 6: LiTFSI phase and pure PEO, as well as a significantly larger PEO free volume. This improved performance is further interpreted by enhanced decoupling between ion transport and polymer segmental motion, as well as optimized permittivity and conductivity in bulk and grain boundaries. This study suggests that nanoparticle induced morphological changes, in a system with fullerene nanoparticles and no Lewis acidic sites, play critical roles in their ion conductivity enhancement. The marriage of fullerene derivatives and solid polymer electrolytes opens up significant opportunities in designing next-generation solid polymer electrolytes with improved performance.
C1 [Sun, Che-Nan; Zawodzinski, Thomas A., Jr.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Zawodzinski, Thomas A., Jr.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Tenhaeff, Wyatt E.] Univ Rochester, Dept Chem Engn, Rochester, NY 14627 USA.
[Ren, Fei] Temple Univ, Dept Mech Engn, Philadelphia, PA 19122 USA.
[Keum, Jong Kahk; Do, Changwoo] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA.
[Bi, Sheng; Li, Dawen] Univ Alabama, Ctr Mat Informat Technol, Dept Elect & Comp Engn, Tuscaloosa, AL 35487 USA.
[Ahn, Suk-Kyun; Hong, Kunlun; Rondinone, Adam J.; Carrillo, Jan-Michael Y.; Sumptergh, Bobby G.; Chen, Jihua] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Carrillo, Jan-Michael Y.; Sumptergh, Bobby G.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
RP Chen, JH (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
EM chenj1@ornl.gov
RI Chen, Jihua/F-1417-2011; Hong, Kunlun/E-9787-2015; Sumpter,
Bobby/C-9459-2013; Rondinone, Adam/F-6489-2013; Carrillo,
Jan-Michael/K-7170-2013; Keum, Jong/N-4412-2015; Do,
Changwoo/A-9670-2011
OI Chen, Jihua/0000-0001-6879-5936; Hong, Kunlun/0000-0002-2852-5111;
Sumpter, Bobby/0000-0001-6341-0355; Rondinone, Adam/0000-0003-0020-4612;
Carrillo, Jan-Michael/0000-0001-8774-697X; Keum,
Jong/0000-0002-5529-1373; Do, Changwoo/0000-0001-8358-8417
FU NSF [CCS-1151140]
FX This research was conducted at the Center for Nanophase Materials
Sciences, which is a DOE Office of Science User Facility. D. Li
acknowledges travel support from NSF under award #ECCS-1151140.
NR 48
TC 1
Z9 1
U1 7
U2 55
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 2015
VL 17
IS 12
BP 8266
EP 8275
DI 10.1039/c4cp05583g
PG 10
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA CD9SB
UT WOS:000351437500076
PM 25733054
ER
PT J
AU Gul, S
Ng, JWD
Alonso-Mori, R
Kern, J
Sokaras, D
Anzenberg, E
Lassalle-Kaiser, B
Gorlin, Y
Weng, TC
Zwart, PH
Zhang, JZ
Bergmann, U
Yachandra, VK
Jaramillo, TF
Yano, J
AF Gul, Sheraz
Ng, Jia Wei Desmond
Alonso-Mori, Roberto
Kern, Jan
Sokaras, Dimosthenis
Anzenberg, Eitan
Lassalle-Kaiser, Benedikt
Gorlin, Yelena
Weng, Tsu-Chien
Zwart, Petrus H.
Zhang, Jin Z.
Bergmann, Uwe
Yachandra, Vittal K.
Jaramillo, Thomas F.
Yano, Junko
TI Simultaneous detection of electronic structure changes from two elements
of a bifunctional catalyst using wavelength-dispersive X-ray emission
spectroscopy and in situ electrochemistry
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID OXYGEN REDUCTION; PHOTOSYSTEM-II; ROOM-TEMPERATURE; WATER OXIDATION;
FUEL-CELLS; CARBON; DIFFRACTION; PERFORMANCE; BIRNESSITE; CRYSTAL
AB Multielectron catalytic reactions, such as water oxidation, nitrogen reduction, or hydrogen production in enzymes and inorganic catalysts often involve multimetallic clusters. In these systems, the reaction takes place between metals or metals and ligands to facilitate charge transfer, bond formation/breaking, substrate binding, and release of products. In this study, we present a method to detect X-ray emission signals from multiple elements simultaneously, which allows for the study of charge transfer and the sequential chemistry occurring between elements. K beta X-ray emission spectroscopy (XES) probes charge and spin states of metals as well as their ligand environment. A wavelength-dispersive spectrometer based on the von Hamos geometry was used to disperse K beta signals of multiple elements onto a position detector, enabling an XES spectrum to be measured in a single-shot mode. This overcomes the scanning needs of the scanning spectrometers, providing data free from temporal and normalization errors and therefore ideal to follow sequential chemistry at multiple sites. We have applied this method to study MnOx-based bifunctional electrocatalysts for the oxygen evolution reaction (OER) and the oxygen reduction reaction (ORR). In particular, we investigated the effects of adding a secondary element, Ni, to form MnNiOx and its impact on the chemical states and catalytic activity, by tracking the redox characteristics of each element upon sweeping the electrode potential. The detection scheme we describe here is general and can be applied to time-resolved studies of materials consisting of multiple elements, to follow the dynamics of catalytic and electron transfer reactions.
C1 [Gul, Sheraz; Kern, Jan; Lassalle-Kaiser, Benedikt; Yachandra, Vittal K.; Yano, Junko] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Gul, Sheraz; Zhang, Jin Z.] Univ Calif Santa Cruz, Dept Chem, Santa Cruz, CA 95060 USA.
[Ng, Jia Wei Desmond; Gorlin, Yelena; Jaramillo, Thomas F.] Stanford Univ, Dept Chem Engn, Stanford, CA 94305 USA.
[Alonso-Mori, Roberto; Kern, Jan; Sokaras, Dimosthenis; Weng, Tsu-Chien; Bergmann, Uwe] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
[Anzenberg, Eitan; Jaramillo, Thomas F.; Yano, Junko] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
[Zwart, Petrus H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Jaramillo, TF (reprint author), Stanford Univ, Dept Chem Engn, Stanford, CA 94305 USA.
EM jaramillo@stanford.edu; jyano@lbl.gov
RI Jaramillo, Thomas/C-4174-2014;
OI Jaramillo, Thomas/0000-0001-9900-0622; Ng, Jia Wei
Desmond/0000-0003-3196-9730
FU Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub;
Office of Science of the U.S. Department of Energy [DE-SC0004993]
FX XES experiments were supported by the Joint Center for Artificial
Photosynthesis, a DOE Energy Innovation Hub, supported through the
Office of Science of the U.S. Department of Energy under Award Number
DE-SC0004993, and performed at the Advanced Light Source (BL 5.0.2),
Berkeley. The Berkeley Center for Structural Biology (BL 5.0.2) is
supported in part by the National Institutes of Health, 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. under Contract
DE-AC02-05CH11231. Catalyst development and electrochemical
characterization were supported as part of the Center on Nanostructuring
for Efficient Energy Conversion (CNEEC) at Stanford University, an
Energy Frontier Research Center funded by the U. S. Department of
Energy, Office of Science, Office of Basic Energy Sciences under Award
Number DE-SC0001060. The development of the spectrometer was supported
by the Director, Office of Science, Office of Basic Energy Sciences
(OBES), Division of Chemical Sciences, Geosciences, and Biosciences
(CSGB) of the Department of Energy (DOE) under Contract DEAC02-
05CH11231 (J. Y and V. K. Y.), and by the National Institute Of General
Medical Sciences of the National Institutes of Health under Award Number
R01GM110501 (J. Y.). Portions of this research (XAS data collection)
were carried out at the Stanford Synchrotron Radiation Light source at
BL 7-3, a Directorate of SLAC National Accelerator Laboratory and an
Office of Science User Facility operated for the U. S. Department of
Energy Office of Science by Stanford University. The SSRL Structural
Molecular Biology Program is supported by the DOE Office of Biological
and Environmental Research, and by the National Institutes of Health,
National Institute of General Medical Sciences (including P41GM103393)
and the National Center for Research Resources (P41RR001209). J. Z. Z.
is grateful to the BES Division of the US Department of Energy for
financial support. The authors thank Mr Jesse D. Benck for technical
assistance.
NR 37
TC 5
Z9 5
U1 4
U2 57
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 2015
VL 17
IS 14
BP 8901
EP 8912
DI 10.1039/c5cp01023c
PG 12
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA CE6GB
UT WOS:000351933600043
PM 25747045
ER
PT S
AU Abernathy, DL
Niedziela, JL
Stone, MB
AF Abernathy, D. L.
Niedziela, J. L.
Stone, M. B.
BE Frick, B
Koza, MM
Boehm, M
Mutka, H
TI Extracting source parameters from beam monitors on a chopper
spectrometer
SO QENS/WINS 2014 - 11TH INTERNATIONAL CONFERENCE ON QUASIELASTIC NEUTRON
SCATTERING AND 6TH INTERNATIONAL WORKSHOP ON INELASTIC NEUTRON
SPECTROMETERS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 11th International Conference on Quasielastic Neutron Scattering / 6th
International Workshop on Inelastic Neutron Spectrometers (QENS/WINS)
CY MAY 11-16, 2014
CL Autrans, FRANCE
SP Inst LaueLangevin, ESS, FRMII, HZB, ILL, ISIS, JCNS, LLB, PSI
AB The intensity distributions of beam monitors in direct-geometry time-of-flight neutron spectrometers provide important information about the instrument resolution. For short-pulse spallation neutron sources in particular, the asymmetry of the source pulse may be extracted and compared to Monte Carlo source simulations. An explicit formula using a Gaussian-convolved Ikeda-Carpenter distribution is given and compared to data from the ARCS instrument at the Spallation Neutron Source.
C1 [Abernathy, D. L.; Stone, M. B.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA.
[Niedziela, J. L.] Oak Ridge Natl Lab, Instrument & Source Div, Oak Ridge, TN 37831 USA.
RP Abernathy, DL (reprint author), Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA.
EM abernathydl@ornl.gov
RI Stone, Matthew/G-3275-2011; Abernathy, Douglas/A-3038-2012; BL18,
ARCS/A-3000-2012
OI Stone, Matthew/0000-0001-7884-9715; Abernathy,
Douglas/0000-0002-3533-003X;
NR 5
TC 1
Z9 1
U1 0
U2 3
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2015
VL 83
AR 03001
DI 10.1051/epjconf/20158303001
PG 4
WC Physics, Multidisciplinary
SC Physics
GA BC3PN
UT WOS:000351844900022
ER
PT S
AU Ehlers, G
Stewart, JR
Deen, PP
Andersen, KH
AF Ehlers, G.
Stewart, J. R.
Deen, P. P.
Andersen, K. H.
BE Frick, B
Koza, MM
Boehm, M
Mutka, H
TI Neutron xyz - polarization analysis at a time-of-flight instrument
SO QENS/WINS 2014 - 11TH INTERNATIONAL CONFERENCE ON QUASIELASTIC NEUTRON
SCATTERING AND 6TH INTERNATIONAL WORKSHOP ON INELASTIC NEUTRON
SPECTROMETERS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 11th International Conference on Quasielastic Neutron Scattering / 6th
International Workshop on Inelastic Neutron Spectrometers (QENS/WINS)
CY MAY 11-16, 2014
CL Autrans, FRANCE
SP Inst LaueLangevin, ESS, FRMII, HZB, ILL, ISIS, JCNS, LLB, PSI
ID SPECTROMETER; SCATTERING; MULTIDETECTOR
AB When implementing a dedicated polarization analysis setup at a neutron time-of-flight instrument with a large area detector, one faces enormous challenges. Nevertheless, significant progress has been made towards this goal over the last few years. This paper addresses systematic limitations of the traditional method that is used to make these measurements, and a possible strategy to overcome these limitations. This will be important, for diffraction as well as inelastic experiments, where the scattering occurs mostly out-of-plane.
C1 [Ehlers, G.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA.
[Stewart, J. R.] Rutherford Appleton Lab, ISIS, Didcot OX11 0QX, Oxon, England.
[Deen, P. P.; Andersen, K. H.] European Spallat Source ESS AB, S-22100 Lund, Sweden.
RP Ehlers, G (reprint author), Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA.
EM ehlersg@ornl.gov
RI Stewart, Ross/C-4194-2008; Ehlers, Georg/B-5412-2008
OI Stewart, Ross/0000-0003-0053-0178; Ehlers, Georg/0000-0003-3513-508X
NR 30
TC 0
Z9 0
U1 1
U2 10
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2015
VL 83
AR UNSP 03004
DI 10.1051/epjconf/20158303004
PG 6
WC Physics, Multidisciplinary
SC Physics
GA BC3PN
UT WOS:000351844900025
ER
PT S
AU Granroth, GE
Hahn, SE
AF Granroth, G. E.
Hahn, S. E.
BE Frick, B
Koza, MM
Boehm, M
Mutka, H
TI Monte Carlo simulation of the resolution volume for the SEQUOIA
spectrometer
SO QENS/WINS 2014 - 11TH INTERNATIONAL CONFERENCE ON QUASIELASTIC NEUTRON
SCATTERING AND 6TH INTERNATIONAL WORKSHOP ON INELASTIC NEUTRON
SPECTROMETERS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 11th International Conference on Quasielastic Neutron Scattering / 6th
International Workshop on Inelastic Neutron Spectrometers (QENS/WINS)
CY MAY 11-16, 2014
CL Autrans, FRANCE
SP Inst LaueLangevin, ESS, FRMII, HZB, ILL, ISIS, JCNS, LLB, PSI
ID NEUTRON-SCATTERING EXPERIMENTS; CHOPPER SPECTROMETER; MCSTAS;
COMPUTATION; RESTRAX
AB Monte Carlo ray tracing simulations, of direct geometry spectrometers, have been particularly useful in instrument design and characterization. However, these tools can also be useful for experiment planning and analysis. To this end, the McStas Monte Carlo ray tracing model of SEQUOIA, the fine resolution fermi chopper spectrometer at the Spallation Neutron Source (SNS) of Oak Ridge National Laboratory (ORNL), has been modified to include the time of flight resolution sample and detector components. With these components, the resolution ellipsoid can be calculated for any detector pixel and energy bin of the instrument. The simulation is split in two pieces. First, the incident beamline up to the sample is simulated for 1 x 10(11) neutron packets (4 days on 30 cores). This provides a virtual source for the backend that includes the resolution sample and monitor components. Next, a series of detector and energy pixels are computed in parallel. It takes on the order of 30 s to calculate a single resolution ellipsoid on a single core. Python scripts have been written to transform the ellipsoid into the space of an oriented single crystal, and to characterize the ellipsoid in various ways. Though this tool is under development as a planning tool, we have successfully used it to provide the resolution function for convolution with theoretical models. Specifically, theoretical calculations of the spin waves in YFeO3 were compared to measurements taken on SEQUOIA. Though the overall features of the spectra can be explained while neglecting resolution effects, the variation in intensity of the modes is well described once the resolution is included. As this was a single sharp mode, the simulated half intensity value of the resolution ellipsoid was used to provide the resolution width. A description of the simulation, its use, and paths forward for this technique will be discussed.
C1 [Granroth, G. E.] Oak Ridge Natl Lab, Neutron Data Anal & Visualizat Div, Oak Ridge, TN 37831 USA.
[Hahn, S. E.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA.
RP Granroth, GE (reprint author), Oak Ridge Natl Lab, Neutron Data Anal & Visualizat Div, Oak Ridge, TN 37831 USA.
EM granrothge@ornl.gov
RI Granroth, Garrett/G-3576-2012
OI Granroth, Garrett/0000-0002-7583-8778
NR 31
TC 0
Z9 0
U1 1
U2 7
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2015
VL 83
AR 03006
DI 10.1051/epjconf/20158303006
PG 4
WC Physics, Multidisciplinary
SC Physics
GA BC3PN
UT WOS:000351844900027
ER
PT S
AU Grimaldo, M
Roosen-Runge, F
Jalarvo, N
Zamponi, M
Zanini, F
Hennig, M
Zhang, F
Schreiber, F
Seydel, T
AF Grimaldo, Marco
Roosen-Runge, Felix
Jalarvo, Niina
Zamponi, Michaela
Zanini, Fabio
Hennig, Marcus
Zhang, Fajun
Schreiber, Frank
Seydel, Tilo
BE Frick, B
Koza, MM
Boehm, M
Mutka, H
TI High-resolution neutron spectroscopy on protein solution samples
SO QENS/WINS 2014 - 11TH INTERNATIONAL CONFERENCE ON QUASIELASTIC NEUTRON
SCATTERING AND 6TH INTERNATIONAL WORKSHOP ON INELASTIC NEUTRON
SPECTROMETERS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 11th International Conference on Quasielastic Neutron Scattering / 6th
International Workshop on Inelastic Neutron Spectrometers (QENS/WINS)
CY MAY 11-16, 2014
CL Autrans, FRANCE
SP Inst LaueLangevin, ESS, FRMII, HZB, ILL, ISIS, JCNS, LLB, PSI
ID DYNAMICS; SCATTERING; DIFFUSION; POWDER
AB Proteins in solution move subject to a complex superposition of global translational and rotational diffusion as well as internal relaxations covering a wide range of time scales. With the advent of new high-flux neutron spectrometers in combination with enhanced analysis frameworks it has become possible to separate these different contributions. We discuss new approaches to the analysis by presenting example spectra and fits from data recorded on the backscattering spectrometers IN16, IN16B, and BASIS on the same protein solution sample. We illustrate the separation of the rotational and translational diffusion contribution, the accurate treatment of the solvent contribution, and the extraction of information on internal fluctuations. We also exemplify the progress made in passing from second- to third-generation backscattering spectrometers.
C1 [Grimaldo, Marco; Roosen-Runge, Felix; Hennig, Marcus; Seydel, Tilo] Inst Max von Laue Paul Langevin ILL, F-38042 Grenoble, France.
[Grimaldo, Marco; Zanini, Fabio; Hennig, Marcus; Zhang, Fajun; Schreiber, Frank] Univ Tubingen, Inst Angew Phys, D-72076 Tubingen, Germany.
[Jalarvo, Niina; Zamponi, Michaela] Forschungszentrum Julich, Julich Ctr Neutron Sci, D-52425 Julich, Germany.
[Jalarvo, Niina] Oak Ridge Natl Lab, Spallat Neutron Source, JCNS Outstn, Oak Ridge, TN 37831 USA.
[Zanini, Fabio] Max Planck Inst Dev Biol, D-72076 Tubingen, Germany.
RP Grimaldo, M (reprint author), Inst Max von Laue Paul Langevin ILL, CS20156, F-38042 Grenoble, France.
EM seydel@ill.eu
RI Roosen-Runge, Felix/A-9107-2013; Jalarvo, Niina/Q-1320-2015; Schreiber,
Frank/J-3311-2014;
OI Roosen-Runge, Felix/0000-0001-5106-4360; Jalarvo,
Niina/0000-0003-0644-6866; Schreiber, Frank/0000-0003-3659-6718; Zanini,
Fabio/0000-0001-7097-8539
NR 23
TC 1
Z9 1
U1 1
U2 8
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2015
VL 83
AR 02005
DI 10.1051/epjconf/20158302005
PG 6
WC Physics, Multidisciplinary
SC Physics
GA BC3PN
UT WOS:000351844900007
ER
PT S
AU Jalarvo, N
Tyagi, M
Crawford, MK
AF Jalarvo, Niina
Tyagi, Madhusudan
Crawford, Michael K.
BE Frick, B
Koza, MM
Boehm, M
Mutka, H
TI Quasielastic neutron scattering study of POSS ligand dynamics
SO QENS/WINS 2014 - 11TH INTERNATIONAL CONFERENCE ON QUASIELASTIC NEUTRON
SCATTERING AND 6TH INTERNATIONAL WORKSHOP ON INELASTIC NEUTRON
SPECTROMETERS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 11th International Conference on Quasielastic Neutron Scattering / 6th
International Workshop on Inelastic Neutron Spectrometers (QENS/WINS)
CY MAY 11-16, 2014
CL Autrans, FRANCE
SP Inst LaueLangevin, ESS, FRMII, HZB, ILL, ISIS, JCNS, LLB, PSI
AB Polyoligosilsesquioxanes are molecules having cage-like structures composed of silicon and oxygen. These molecules can have a wide variety of functional ligands attached to them. Depending on the nature of the ligand, interesting properties and applications are found. In this work we present results from quasielastic neutron scattering measurements of four different POSS molecules that illustrate the presence of strong coupling between the ligand dynamics and the POSS crystal structures.
C1 [Jalarvo, Niina] Forschungszentrum Julich, Julich Ctr Neutron Sci, D-52428 Julich, Germany.
[Jalarvo, Niina] Oak Ridge Natl Lab, Spallat Neutron Source, Chem & Engn Mat Div, Oak Ridge, TN 37861 USA.
[Tyagi, Madhusudan] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA.
[Tyagi, Madhusudan] Univ Maryland, Dept Mat Sci, College Pk, MD 20742 USA.
[Crawford, Michael K.] DuPont Cent Res & Dev, Wilmington, DE 19880 USA.
RP Jalarvo, N (reprint author), Forschungszentrum Julich, Julich Ctr Neutron Sci, D-52428 Julich, Germany.
EM n.jalarvo@fz-juelich.de
RI Jalarvo, Niina/Q-1320-2015
OI Jalarvo, Niina/0000-0003-0644-6866
NR 8
TC 0
Z9 0
U1 1
U2 4
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2015
VL 83
AR 02007
DI 10.1051/epjconf/20158302007
PG 4
WC Physics, Multidisciplinary
SC Physics
GA BC3PN
UT WOS:000351844900009
ER
PT S
AU Stone, MB
Niedziela, JL
Overbay, MA
Abernathy, DL
AF Stone, M. B.
Niedziela, J. L.
Overbay, M. A.
Abernathy, D. L.
BE Frick, B
Koza, MM
Boehm, M
Mutka, H
TI The ARCS radial collimator
SO QENS/WINS 2014 - 11TH INTERNATIONAL CONFERENCE ON QUASIELASTIC NEUTRON
SCATTERING AND 6TH INTERNATIONAL WORKSHOP ON INELASTIC NEUTRON
SPECTROMETERS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 11th International Conference on Quasielastic Neutron Scattering / 6th
International Workshop on Inelastic Neutron Spectrometers (QENS/WINS)
CY MAY 11-16, 2014
CL Autrans, FRANCE
SP Inst LaueLangevin, ESS, FRMII, HZB, ILL, ISIS, JCNS, LLB, PSI
ID NEUTRON-SCATTERING; SPECTROMETER
AB We have designed, installed, and commissioned a scattered beam radial collimator for use at the ARCS Wide Angular Range Chopper Spectrometer at the Spallation Neutron Source. The collimator has been designed to work effectively for thermal and epithermal neutrons and with a range of sample environments. Other design considerations include the accommodation of working within a high vacuum environment and having the ability to quickly install and remove the collimator from the scattered beam. We present here characterization of the collimator's performance and methodologies for its effective use.
C1 [Stone, M. B.; Abernathy, D. L.] Oak Ridge Natl Lab, Quantum Condensed Matter Sci Div, Oak Ridge, TN 37831 USA.
[Niedziela, J. L.; Overbay, M. A.] Oak Ridge Natl Lab, Instrument & Source Div, Oak Ridge, TN 37831 USA.
RP Stone, MB (reprint author), Oak Ridge Natl Lab, Quantum Condensed Matter Sci Div, Oak Ridge, TN 37831 USA.
EM stonemb@ornl.gov
RI Stone, Matthew/G-3275-2011; Abernathy, Douglas/A-3038-2012; BL18,
ARCS/A-3000-2012
OI Stone, Matthew/0000-0001-7884-9715; Abernathy,
Douglas/0000-0002-3533-003X;
NR 9
TC 1
Z9 1
U1 2
U2 7
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2015
VL 83
AR 03014
DI 10.1051/epjconf/20158303014
PG 4
WC Physics, Multidisciplinary
SC Physics
GA BC3PN
UT WOS:000351844900035
ER
PT S
AU Winn, B
Filges, U
Garlea, VO
Graves-Brook, M
Hagen, M
Jiang, CY
Kenzelmann, M
Passell, L
Shapiro, SM
Tong, X
Zaliznyak, I
AF Winn, Barry
Filges, Uwe
Garlea, V. Ovidiu
Graves-Brook, Melissa
Hagen, Mark
Jiang, Chenyang
Kenzelmann, Michel
Passell, Larry
Shapiro, Stephen M.
Tong, Xin
Zaliznyak, Igor
BE Frick, B
Koza, MM
Boehm, M
Mutka, H
TI Recent progress on HYSPEC, and its polarization analysis capabilities
SO QENS/WINS 2014 - 11TH INTERNATIONAL CONFERENCE ON QUASIELASTIC NEUTRON
SCATTERING AND 6TH INTERNATIONAL WORKSHOP ON INELASTIC NEUTRON
SPECTROMETERS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 11th International Conference on Quasielastic Neutron Scattering / 6th
International Workshop on Inelastic Neutron Spectrometers (QENS/WINS)
CY MAY 11-16, 2014
CL Autrans, FRANCE
SP Inst LaueLangevin, ESS, FRMII, HZB, ILL, ISIS, JCNS, LLB, PSI
ID SPALLATION NEUTRON SOURCE; HYBRID SPECTROMETER
AB HYSPEC is a high-intensity, direct-geometry time-of-flight spectrometer at the Spallation Neutron Source, optimized for measurement of excitations in small single-crystal specimens with optional polarization analysis capabilities. The incident neutron beam is monochromated using a Fermi chopper with short, straight blades, and is then vertically focused by Bragg scattering onto the sample position by either a highly oriented pyrolitic graphite (unpolarized) or a Heusler (polarized) crystal array. Neutrons are detected by a bank of He-3 tubes that can be positioned over a wide range of scattering angles about the sample axis. HYSPEC entered the user program in February 2013 for unpolarized experiments, and is already experiencing a vibrant research program. Polarization analysis will be accomplished by using the Heusler crystal array to polarize the incident beam, and either a He-3 spin filter or a supermirror wide-angle polarization analyser to analyse the scattered beam. The He-3 spin filter employs the spin-exchange optical pumping technique. A 60 degrees wide angle He-3 cell that matches the detector coverage will be used for polarization analysis. The polarized gas in the post-sample wide angle cell is designed to be periodically and automatically refreshed with an adjustable pressure of polarized gas, optically pumped in a separate cell and then transferred to the wide angle cell. The supermirror analyser has 960 supermirror polarizers distributed over 60 degrees, and has been characterized at the Swiss Spallation Neutron Source. The current status of the instrument and the development of its polarization analysis capabilities are presented.
C1 [Winn, Barry; Garlea, V. Ovidiu] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA.
[Filges, Uwe; Kenzelmann, Michel] Paul Scherrer Inst, Lab Dev & Methods, Villigen, Switzerland.
[Graves-Brook, Melissa; Jiang, Chenyang; Tong, Xin] Oak Ridge Natl Lab, Instrument & Source Div, Oak Ridge, TN USA.
[Hagen, Mark] Oak Ridge Natl Lab, Neutron Data Anal & Visualizat, Oak Ridge, TN USA.
[Hagen, Mark] European Spallat Source, Data Management & Software, Copenhagen, Denmark.
[Passell, Larry; Shapiro, Stephen M.; Zaliznyak, Igor] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
RP Winn, B (reprint author), Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA.
EM winnbl@ornl.gov
RI Kenzelmann, Michel/A-8438-2008; Garlea, Vasile/A-4994-2016; Winn,
Barry/A-5065-2016; tong, Xin/C-4853-2012;
OI Kenzelmann, Michel/0000-0001-7913-4826; Garlea,
Vasile/0000-0002-5322-7271; Winn, Barry/0000-0001-6383-4318; tong,
Xin/0000-0001-6105-5345; Jiang, Chenyang/0000-0002-6321-3164
NR 10
TC 10
Z9 10
U1 2
U2 14
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2015
VL 83
AR 03017
DI 10.1051/epjconf/20158303017
PG 6
WC Physics, Multidisciplinary
SC Physics
GA BC3PN
UT WOS:000351844900038
ER
PT J
AU Zou, JD
Yan, M
Yao, JL
AF Zou, Junding
Yan, Mi
Yao, Jinlei
TI The structural and magnetic properties of the compound Tm5Ge4
SO RSC ADVANCES
LA English
DT Article
ID NEUTRON-DIFFRACTION; PHASE-RELATIONSHIPS; CRYSTAL-STRUCTURE; SYSTEM;
GD-5(SIXGE1-X)(4); COEXISTENCE; TRANSITION; PRESSURE; SILICON; ALLOYS
AB The compound Tm5Ge4 is the last one in the family of R5Ge4 (R = rare earth elements with magnetic moments) compounds (exclusive of Pm and Eu) whose magnetic properties are still unknown. We prepared high quality Tm5Ge4, and report the detailed crystal structure and magnetic properties. Tm5Ge4 crystallizes in the Sm5Ge4-type ortho-rhombic structure at room temperature, and orders antiferromagnetically at T-N' = 13 and T-N = 21 K. The paramagnetic Curie temperature of Tm5Ge4 is positive (theta(p) = 16 K), and the effective magnetic moment (p(eff) = 7.4 mu(B)/Tm) is in good agreement with the theoretical value of 7.56 mu(B)/Tm3+. The ac susceptibility of Tm5Ge4 shows obvious frequency dependence behaviors suggesting the existence of a ferromagnetic cluster in the antiferromagnetic substance. According to the magnetic hysteresis loop, the intrinsic coercivity of Tm5Ge4 is 2616 Oe at 2 K. Tm5Ge4 exhibits an oscillating magnetocaloric effect owing to a metamagnetic-like transformation induced by a critical magnetic field below 21 K.
C1 [Zou, Junding; Yan, Mi] Zhejiang Univ, Key Lab Novel Mat Informat Technol Zhejiang Prov, State Key Lab Silicon Mat, Sch Mat Sci & Engn, Hangzhou 310027, Zhejiang, Peoples R China.
[Zou, Junding] Iowa State Univ, US Dept Energy, Ames Lab, Ames, IA 50011 USA.
[Yao, Jinlei] Suzhou Univ Sci & Technol, Sch Math & Phys, Res Ctr Solid State Phys & Mat, Suzhou 215009, Jiangsu, Peoples R China.
RP Zou, JD (reprint author), Zhejiang Univ, Key Lab Novel Mat Informat Technol Zhejiang Prov, State Key Lab Silicon Mat, Sch Mat Sci & Engn, Hangzhou 310027, Zhejiang, Peoples R China.
EM zoujd@zju.edu.cn; mse_yanmi@zju.edu.cn
RI Yao, Jinlei/D-4977-2012
FU National Natural Science Foundation of China [51471150, 51301116];
Program for Innovative Research Team in University of Ministry of
Education of China [IRT13R54]; U.S. Department of Energy, Office of
Basic Energy Science, Division of Materials Sciences and Engineering;
U.S. Department of Energy [DE-AC02-07CH11358]
FX This work was supported by the National Natural Science Foundation of
China (Grant no. 51471150, 51301116) and Program for Innovative Research
Team in University of Ministry of Education of China (IRT13R54). Work at
the Ames Laboratory was supported by the U.S. Department of Energy,
Office of Basic Energy Science, Division of Materials Sciences and
Engineering. The research was performed at the Ames Laboratory operated
for the U.S. Department of Energy by Iowa State University under
Contract no. DE-AC02-07CH11358.
NR 44
TC 1
Z9 1
U1 3
U2 22
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 2015
VL 5
IS 34
BP 26850
EP 26855
DI 10.1039/c5ra02620b
PG 6
WC Chemistry, Multidisciplinary
SC Chemistry
GA CE1FF
UT WOS:000351556800051
ER
PT J
AU Mincher, BJ
Schmitt, NC
Schuetz, BK
Shehee, TC
Hobbs, DT
AF Mincher, Bruce J.
Schmitt, Nicholas C.
Schuetz, Brian K.
Shehee, Thomas C.
Hobbs, David T.
TI Recent advances in f-element separations based on a new method for the
production of pentavalent americium in acidic solution
SO RSC ADVANCES
LA English
DT Article
ID ACTINIDE SEPARATIONS; SOLVENT-EXTRACTION; ION-EXCHANGE; LANTHANIDES;
STRONTIUM; OXIDATION; MECHANISM; PHOSPHATE; KINETICS; CURIUM
AB The peroxydisulfate anion has long been used for the preparation of hexavalent americium (Am-VI) from the normally stable Am-III valence state in mildly acidic solutions. However, there has been no satisfactory means to directly prepare the pentavalent state (Am-V) in that medium. Some early literature reports indicated that the peroxydisulfate oxidation was incomplete, and silver ion catalysis in conjunction with peroxydisulfate became accepted as the means to ensure quantitative generation of Am-VI. Incomplete oxidation would be expected to leave residual Am-III, or to produce Am-V in treated solutions. However, until recently, the use of peroxydisulfate as an Am-V reagent has not been reported. Here, parameters influencing the oxidation were investigated, including peroxydisulfate and acid concentration, temperature, duration of oxidative treatment, and the presence of higher concentrations of other redox active metals such as plutonium. Using optimized conditions determined here, quantitative Am-V was prepared in an acidic solution and the UV/Vis extinction coefficients of the Am-V 513 nm peak were measured over a range of nitric acid concentrations. The utility of Am-V for separations from the lanthanides and curium by solvent extraction, organic column chromatography and inorganic ion exchangers was also investigated.
C1 [Mincher, Bruce J.; Schmitt, Nicholas C.; Schuetz, Brian K.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Shehee, Thomas C.; Hobbs, David T.] Savannah River Natl Lab, Aiken, SC 29808 USA.
RP Mincher, BJ (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA.
EM bruce.mincher@inl.gov
RI Mincher, Bruce/C-7758-2017
FU US DOE Office of Nuclear Energy Fuel Cycle R&D Sigma Team for Minor
Actinide Separations Program under Idaho Operations [DE-AC07-05ID14517];
Savannah River Operations [DE-AC09-08SR22470]
FX The INL and SRNL work was performed under the US DOE Office of Nuclear
Energy Fuel Cycle R&D Sigma Team for Minor Actinide Separations Program
under Idaho Operations Contract DE-AC07-05ID14517 and Savannah River
Operations Contract DE-AC09-08SR22470.
NR 29
TC 5
Z9 5
U1 1
U2 31
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 2015
VL 5
IS 34
BP 27205
EP 27210
DI 10.1039/c5ra03196f
PG 6
WC Chemistry, Multidisciplinary
SC Chemistry
GA CE1FF
UT WOS:000351556800099
ER
PT J
AU Xue, YP
Jin, MJ
Orjuela, A
Slininger, PJ
Dien, BS
Dale, BE
Balan, V
AF Xue, Ya-Ping
Jin, Mingjie
Orjuela, Andrea
Slininger, Patricia J.
Dien, Bruce S.
Dale, Bruce E.
Balan, Venkatesh
TI Microbial lipid production from AFEX (TM) pretreated corn stover
SO RSC ADVANCES
LA English
DT Article
ID CELLULOSIC ETHANOL-PRODUCTION; AMMONIA FIBER EXPANSION; CELL OIL
PRODUCTION; LIGNOCELLULOSIC BIOMASS; OLEAGINOUS MICROORGANISMS;
BIODIESEL; FERMENTATION; BIOCHEMISTRY; CHALLENGES
AB Lipids having high carbon to heteroatom ratios can be upgraded to bio-diesel and jet fuels which are more advanced drop-in fuels compared to ethanol. The present study investigated microbial lipid production from Ammonia Fiber Expansion (AFEX) pretreated and hydrolyzed corn stover (CS) using an oleaginous yeast strain Lipomyces tetrasporus NRRL Y-11562. Process conditions were optimized for carbon to nitrogen ratio of fermentation medium, fermentation temperature and pH, and solid loading of AFEX-CS. The inhibitory effect of AFEX degradation products on lipid fermentation was also investigated. Both separate hydrolysis and fermentation (SHF) and Rapid Bioconversion with Integrated recycle Technology (RaBIT) processes were used for lipid production. From 1 kg AFEX-CS, 36.7 g lipids were produced via SHF at a titer of 8.4 g L-1 with a yield of 0.08 g g(-1) consumed sugar. A yeast meal stream (97.9 g) was also generated. L. tetrasporus NRRL Y-11562 grew better in AFEX-CS hydrolysate, but produced fewer lipids compared to synthetic medium. Minimal washing of AFEX-CS improved the lipid yield and titer to 0.10 g g(-1) consumed sugar and 10.7 g L-1, respectively. RaBIT on washed AFEX-CS generated a similar amount of lipids compared to SHF with 35% lower enzyme loading. Economic analysis does not favor lignocellulosic lipid production with current lipid yields.
C1 [Xue, Ya-Ping; Jin, Mingjie; Orjuela, Andrea; Dale, Bruce E.; Balan, Venkatesh] Michigan State Univ, Dept Chem Engn & Mat Sci, Biomass Convers Res Lab BCRL, Lansing, MI 48910 USA.
[Xue, Ya-Ping] Zhejiang Univ Technol, Inst Bioengn, Hangzhou 310014, Zhejiang, Peoples R China.
[Jin, Mingjie; Orjuela, Andrea; Dale, Bruce E.; Balan, Venkatesh] Michigan State Univ, DOE Great Lakes Bioenergy Res Ctr GLBRC, E Lansing, MI 48824 USA.
[Slininger, Patricia J.; Dien, Bruce S.] ARS, Natl Ctr Agr Utilizat Res, USDA, Peoria, IL 61604 USA.
RP Jin, MJ (reprint author), Michigan State Univ, Dept Chem Engn & Mat Sci, Biomass Convers Res Lab BCRL, MBI Bldg,3815 Technol Blvd, Lansing, MI 48910 USA.
EM jinmingj@egr.msu.edu
FU China Scholarship Council
FX This work is supported by the China Scholarship Council. We would like
to thank Novozymes for supplying us commercial enzymes for this work,
Charles Donald Jr for preparing AFEX-pretreated corn stover and Christa
Gunawan for analyzing HPLC samples. We would also like to thank the
members of the Biomass Conversion Research Laboratory (BCRL) at Michigan
State University for their valuable suggestions. We also thank Dr Cletus
P. Kurtzman for supplying the culture for this research.
NR 30
TC 4
Z9 4
U1 6
U2 26
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 2015
VL 5
IS 36
BP 28725
EP 28734
DI 10.1039/c5ra01134e
PG 10
WC Chemistry, Multidisciplinary
SC Chemistry
GA CE5JY
UT WOS:000351870500087
ER
PT J
AU Bazilevskaya, E
Rother, G
Mildner, DFR
Pavich, M
Cole, D
Bhatt, MP
Jin, LX
Steefel, CI
Brantley, SL
AF Bazilevskaya, Ekaterina
Rother, Gernot
Mildner, David F. R.
Pavich, Milan
Cole, David
Bhatt, Maya P.
Jin, Lixin
Steefel, Carl I.
Brantley, Susan L.
TI How Oxidation and Dissolution in Diabase and Granite Control Porosity
during Weathering
SO SOIL SCIENCE SOCIETY OF AMERICA JOURNAL
LA English
DT Article
ID SMALL-ANGLE SCATTERING; NEUTRON-SCATTERING; VIRGINIA PIEDMONT; FRACTAL
GEOMETRY; SAPONITE SERIES; PUERTO-RICO; ROCKS; REPLACEMENT; EVOLUTION;
REGOLITH
AB Weathering extends to shallower depths on diabase than granite ridgetops despite similar climate and geomorphological regimes of denudation in the Virginia (United States) Piedmont. Deeper weathering has been attributed to advective transport of solutes in granitic rock compared to diffusive transport in diabase. We use neutron scattering (NS) techniques to quantify the total and connected submillimeter porosity (nominal diameters between 1 nm and 10 mm) and specific surface area (SSA) during weathering. The internal surface of each unweathered rock is characterized as both a mass fractal and a surface fractal. The mass fractal describes the distribution of pores (similar to 300 nm to similar to 5 mu m) along grain boundaries and triple junctions. The surface fractal is interpreted as the distribution of smaller features (1-300 nm), that is, the bumps (or irregularities) at the grain-pore interface. The earliest porosity development in the granite is driven by microfracturing of biotite, which leads to the introduction of fluids that initiate dissolution of other silicates. Once plagioclase weathering begins, porosity increases significantly and the mass + surface fractal typical for unweathered granite transforms to a surface fractal as infiltration of fluids continues. In contrast, the mass + surface fractal does not transform to a surface fractal during weathering of the diabase, perhaps consistent with the interpretation that solute transport is dominated by diffusion in that rock. The difference in regolith thickness between granite and diabase is likely due to the different mechanisms of solute transport across the primary silicate reaction front.
C1 [Bazilevskaya, Ekaterina; Brantley, Susan L.] Penn State Univ, Earth & Environm Syst Inst, University Pk, PA 16802 USA.
[Rother, Gernot] Oak Ridge Natl Lab, Div Chem Sci, Geochem & Interfacial Sci Grp, Oak Ridge, TN 37831 USA.
[Mildner, David F. R.] NIST, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA.
[Pavich, Milan] US Geol Survey, Eastern Geol & Paleoclimate Sci Ctr, Reston, VA 20192 USA.
[Cole, David] Ohio State Univ, Sch Earth Sci, Columbus, OH 43219 USA.
[Bhatt, Maya P.] Tribhuvan Univ, Cent Dep Environm Sci, Kathmandu, Nepal.
[Jin, Lixin] Univ Texas El Paso, Dept Geol Sci, El Paso, TX 79968 USA.
[Steefel, Carl I.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Bazilevskaya, E (reprint author), Penn State Univ, Earth & Environm Syst Inst, University Pk, PA 16802 USA.
EM eab204@psu.edu
RI Steefel, Carl/B-7758-2010; Rother, Gernot/B-7281-2008
OI Rother, Gernot/0000-0003-4921-6294
FU DOE [DE-FG02-05ER15675]; Division of Chemical Sciences, Geosciences, and
Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy;
Department of Energy Office of Basic Energy Sciences, Energy Frontier
Research Center, "Nanoscale Control of Geologic CO2"; Office
of Science, Office of Basic Energy Sciences, of the U.S. Department of
Energy [DE-AC02-05CH11231]; National Science Foundation [DMR-0944772]
FX This project was funded by DOE Grant DE-FG02-05ER15675. The research of
GR was sponsored by the Division of Chemical Sciences, Geosciences, and
Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy.
DRC was supported by the Department of Energy Office of Basic Energy
Sciences as part of an Energy Frontier Research Center, "Nanoscale
Control of Geologic CO2" led by Lawrence Berkeley National
Laboratory. 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 DE-AC02-05CH11231. We specifically
acknowledge Duluth Parkinson for the help with tomography imaging at
beamline 8.3.2 at the Advanced Light Source at Lawrence Berkeley
National Laboratory. The small-angle neutron scattering at the National
Institute of Standards and Technology, U.S. Department of Commerce, was
supported in part by the National Science Foundation under Agreement
DMR-0944772. Transmission electron microscopy and SEM work was done at
Materials Research Institute, Penn State. The identification of
commercial instruments in this paper does not imply recommendation or
endorsement by the National Institute of Standards and Technology, nor
does it imply that the equipment used are necessarily the best available
for the purpose.
NR 64
TC 9
Z9 9
U1 3
U2 18
PU SOIL SCI SOC AMER
PI MADISON
PA 677 SOUTH SEGOE ROAD, MADISON, WI 53711 USA
SN 0361-5995
EI 1435-0661
J9 SOIL SCI SOC AM J
JI Soil Sci. Soc. Am. J.
PD JAN-FEB
PY 2015
VL 79
IS 1
BP 55
EP 73
DI 10.2136/sssaj2014.04.0135
PG 19
WC Soil Science
SC Agriculture
GA CE2JB
UT WOS:000351640800007
ER
PT S
AU Bourgin, D
Courtin, S
Haas, F
Goasduff, A
Stefanini, AM
Montagnoli, G
Montanari, D
Corradi, L
Huiming, J
Scarlassara, F
Fioretto, E
Simenel, C
Rowley, N
Jiang, CL
Szilner, S
Mijatovic, T
AF Bourgin, D.
Courtin, S.
Haas, F.
Goasduff, A.
Stefanini, A. M.
Montagnoli, G.
Montanari, D.
Corradi, L.
Huiming, J.
Scarlassara, F.
Fioretto, E.
Simenel, C.
Rowley, N.
Jiang, C. L.
Szilner, S.
Mijatovic, T.
BE Simenel, C
Gomes, PRS
Hinde, DJ
Madhavan, N
Navin, A
Rehm, KE
TI Exploring the influence of transfer channels on fusion reactions: the
case of Ca-40+Ni-58,Ni-64
SO VI INTERNATIONAL CONFERENCE FUSION14
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 6th International Conference on FUSION
CY FEB 24-28, 2014
CL New Delhi, INDIA
ID NI-58
AB Fusion cross sections have been measured in the Ca-40 + Ni-58 and Ca-40 + Ni-64 systems at beam energies ranging from Elab = 104.75 MeV to 153.5 MeV using the Laboratori Nazionali di Legnaro electrostatic deflector. Distributions of barriers have been extracted from the experimental data. Preliminary coupled channel calculations were performed and hints of effects of neutron transfers on the fusion below the barrier in the Ca-40 + Ni-64 are discussed.
C1 [Bourgin, D.; Courtin, S.; Haas, F.; Goasduff, A.; Montanari, D.] CNRS, IN2P3, Inst Pluridisciplinaire Hubert Curien, UMR7178, F-67037 Strasbourg, France.
[Stefanini, A. M.; Corradi, L.; Huiming, J.; Fioretto, E.] Ist Nazl Fis Nucl, Lab Nazl Legnaro, I-35020 Legnaro, Padova, Italy.
[Montagnoli, G.; Scarlassara, F.] Univ Padua, Dipartimento Fis, I-35131 Padua, Italy.
[Montagnoli, G.; Scarlassara, F.] Ist Nazl Fis Nucl, I-35131 Padua, Italy.
[Simenel, C.] Australian Natl Univ, RSPE, Dept Nucl Phys, Canberra, ACT 2601, Australia.
[Rowley, N.] Inst Phys Nucl, F-91406 Orsay, France.
[Jiang, C. L.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Szilner, S.; Mijatovic, T.] Rudjer Boskovic Inst, HR-10002 Zagreb, Croatia.
RP Courtin, S (reprint author), CNRS, IN2P3, Inst Pluridisciplinaire Hubert Curien, UMR7178, 23 Rue Loess, F-67037 Strasbourg, France.
EM sandrine.courtin@iphc.cnrs.fr
RI Simenel, Cedric/H-3705-2014
OI Simenel, Cedric/0000-0002-2356-7769
NR 13
TC 0
Z9 0
U1 1
U2 4
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2015
VL 86
AR 00005
DI 10.1051/epjconf/20158600005
PG 3
WC Physics, Multidisciplinary; Physics, Nuclear
SC Physics
GA BC3PF
UT WOS:000351833700005
ER
PT S
AU Stefanini, AM
Montagnoli, G
Esbensen, H
Corradi, L
Courtin, S
Fioretto, E
Goasduff, A
Grebosz, J
Haas, F
Mazzocco, M
Michelagnoli, C
Mijatovic, T
Montanari, D
Pasqualato, G
Parascandolo, C
Scarlassara, F
Strano, E
Szilner, S
Toniolo, N
Torresi, D
AF Stefanini, A. M.
Montagnoli, G.
Esbensen, H.
Corradi, L.
Courtin, S.
Fioretto, E.
Goasduff, A.
Grebosz, J.
Haas, F.
Mazzocco, M.
Michelagnoli, C.
Mijatovic, T.
Montanari, D.
Pasqualato, G.
Parascandolo, C.
Scarlassara, F.
Strano, E.
Szilner, S.
Toniolo, N.
Torresi, D.
BE Simenel, C
Gomes, PRS
Hinde, DJ
Madhavan, N
Navin, A
Rehm, KE
TI Transfer couplings and hindrance far below the barrier for Ca-40+Zr-96
SO VI INTERNATIONAL CONFERENCE FUSION14
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 6th International Conference on FUSION
CY FEB 24-28, 2014
CL New Delhi, INDIA
ID FUSION
AB The sub-barrier fusion excitation function of Ca-40 + Zr-96 has been measured down to cross sections similar or equal to 2.4 mu b, i.e. two orders of magnitude smaller than obtained in the previous experiment, where the sub-barrier fusion of this system was found to be greatly enhanced with respect to Ca-40 + Zr-90, and the need of coupling to transfer channels was suggested. The purpose of this work was to investigate the behavior of Ca-40 + Zr-96 fusion far below the barrier. The smooth trend of the excitation function has been found to continue, and the logarithmic slope increases very slowly. No indication of hindrance shows up, and a comparison with Ca-48 + Zr-96 is very useful in this respect. A new CC analysis of the complete excitation function has been performed, including explicitly one- and two-nucleon Q > 0 transfer channels. Such transfer couplings bring significant cross section enhancements, even at the level of a few mu b. Locating the hindrance threshold, if any, in Ca-40 + Zr-96 would require challenging measurements of cross sections in the sub-mu b range.
C1 [Stefanini, A. M.; Corradi, L.; Fioretto, E.; Toniolo, N.] Ist Nazl Fis Nucl, Lab Nazl Legnaro, I-35020 Padua, Italy.
[Montagnoli, G.; Mazzocco, M.; Michelagnoli, C.; Montanari, D.; Pasqualato, G.; Parascandolo, C.; Scarlassara, F.; Strano, E.; Torresi, D.] Univ Padua, Dipartimento Fis & Astron, I-35131 Padua, Italy.
[Montagnoli, G.; Mazzocco, M.; Michelagnoli, C.; Montanari, D.; Pasqualato, G.; Parascandolo, C.; Scarlassara, F.; Strano, E.; Torresi, D.] Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy.
[Esbensen, H.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA.
[Courtin, S.; Haas, F.] Univ Strasbourg, CNRS, IN2P3, IPHC, F-67037 Strasbourg 2, France.
[Goasduff, A.] CNRS, IN2P3, CSNSM, F-91405 Orsay, France.
[Goasduff, A.] Univ Paris 11, F-91405 Orsay, France.
[Grebosz, J.] Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland.
[Mijatovic, T.] Rudjer Boskovic Inst, HR-10002 Zagreb, Croatia.
RP Stefanini, AM (reprint author), Ist Nazl Fis Nucl, Lab Nazl Legnaro, I-35020 Padua, Italy.
EM alberto.stefanini@lnl.infn.it
OI Scarlassara, Fernando/0000-0002-4663-8216
NR 19
TC 0
Z9 0
U1 0
U2 6
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2015
VL 86
AR 00056
DI 10.1051/epjconf/20158600056
PG 4
WC Physics, Multidisciplinary; Physics, Nuclear
SC Physics
GA BC3PF
UT WOS:000351833700056
ER
PT J
AU An, K
Somorjai, GA
AF An, Kwangjin
Somorjai, Gabor A.
TI Nanocatalysis I: Synthesis of Metal and Bimetallic Nanoparticles and
Porous Oxides and Their Catalytic Reaction Studies
SO CATALYSIS LETTERS
LA English
DT Article
DE Nanocatalysis; Mesoporous; Bimetallic; Core/shell; Strong-metal support
interaction; Selectivity
ID GENERATION VIBRATIONAL SPECTROSCOPY; SINGLE-CRYSTAL SURFACES; SHAPE
CONTROL; CORE-SHELL; PLATINUM NANOPARTICLES; PYRROLE HYDROGENATION;
BENZENE HYDROGENATION; SUPPORT INTERACTIONS; PARTICLE-SIZE; N-HEXANE
AB In recent heterogeneous catalysis, much effort has been made in understanding how the size, shape, and composition of nanoparticles and oxide-metal interfaces affect catalytic performance at the molecular level. Recent advances in colloidal synthetic techniques enable preparing diverse metallic or bimetallic nanoparticles with well-defined size, shape, and composition and porous oxides as a high surface support. As nanoparticles become smaller, new chemical, physical, and catalytic properties emerge. Geometrically, as the smaller the nanoparticle the greater the relative number of edge and corner sites per unit surface of the nanoparticle. When the nanoparticles are smaller than a critical size (2.7 nm), finite-size effects such as a change of adsorption strength or oxidation state are revealed by changes in their electronic structures. By alloying two metals, the formation of heteroatom bonds and geometric effects such as strain due to the change of metal-metal bond lengths cause new electronic structures to appear in bimetallic nanoparticles. Ceaseless catalytic reaction studies have been discovered that the highest reaction yields, product selectivity, and process stability were achieved by determining the critical size, shape, and composition of nanoparticles and by choosing the appropriate oxide support. Depending on the pore size, various kinds of micro-, meso-, and macro-porous materials are fabricated by the aid of structure-directing agents or hard-templates. Recent achievements for the preparation of versatile core/shell nanostructures composing mesoporous oxides, zeolites, and metal organic frameworks provide new insights toward nanocatalysis with novel ideas.
C1 [An, Kwangjin; Somorjai, Gabor A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[An, Kwangjin; Somorjai, Gabor A.] Lawrence Berkeley Natl Lab, Chem Sci Div, Berkeley, CA 94720 USA.
[An, Kwangjin; Somorjai, Gabor A.] Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.
RP Somorjai, GA (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM somorjai@berkeley.edu
RI Foundry, Molecular/G-9968-2014
FU Director, Office of Basic Energy Sciences, Materials Science and
Engineering Division of the U.S. Department of Energy
[DE-AC02-05CH11231]; Chevron Corporation.
FX This work was supported by the Director, Office of Basic Energy
Sciences, Materials Science and Engineering Division of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231. The user
project at the Advanced Light Source and the Molecular Foundry of the
Lawrence Berkeley National Laboratory, a DOE Office of Science User
Facility. The nanoparticle synthesis was funded by Chevron Corporation.
We thank Walter Ralston for correcting the proof.3
NR 72
TC 20
Z9 20
U1 16
U2 96
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1011-372X
EI 1572-879X
J9 CATAL LETT
JI Catal. Lett.
PD JAN
PY 2015
VL 145
IS 1
BP 233
EP 248
DI 10.1007/s10562-014-1399-x
PG 16
WC Chemistry, Physical
SC Chemistry
GA AY7BT
UT WOS:000347717000028
ER
PT J
AU Alayoglu, S
Somorjai, GA
AF Alayoglu, Selim
Somorjai, Gabor A.
TI Nanocatalysis II: In Situ Surface Probes of Nano-Catalysts and
Correlative Structure-Reactivity Studies
SO CATALYSIS LETTERS
LA English
DT Article
DE In situ NEXAFS; APXPS; In situ SFG; Environmental transmission electron
microscopy; Metal-support interaction; Spillover
ID SUM-FREQUENCY GENERATION; ENHANCED RAMAN-SPECTROSCOPY; FISCHER-TROPSCH
SYNTHESIS; RAY-ABSORPTION-SPECTROSCOPY; TEMPERATURE CO OXIDATION; HIGH
GAS-PRESSURES; ENERGY ION-SCATTERING; FT-IR SPECTROSCOPY; REAL-TIME
PROBE; 3D ATOM-PROBE
AB Model nano-catalysts with monodisperse particle sizes and architectures are essential for a fundamental understanding of surface property dynamics during catalytic reactions. Surface tools and techniques, when conducted under catalytically relevant temperature and pressure conditions, render possible measurements of dynamic surface properties such as oxidation state, composition, coordination, and bonding. Near edge X-ray absorption fine structure (NEXAFS) spectroscopy with purposely built in situ reaction cells and ambient pressure X-ray photoelectron spectroscopy (APXPS) provide (near) surface sensitive and chemical specific information on the oxidation states of metal and oxide (co-)catalysts as well as adsorbent functional elements such C, O and N under reactive gas atmospheres and even liquid environments. Likewise, sum frequency generation (SFG) vibrational spectroscopy with in situ reaction cells helps uncover the bonding geometry and configuration of the topmost surface again under conditions pertinent to catalysis. Furthermore, the local dynamics in the nanoscale and on the single particle level are revealed by environmental transmission electron microscopy (ETEM) and the spectro-microscopy techniques equipped within. A correlative approach, where an array of these in situ tools and techniques were conducted in parallel with catalytic measurements, was employed to gain molecular insight into some of the modern scientific challenges in heterogeneous catalysis. Several case examples of this correlative approach are presented here. The CO oxidation reaction over hybrid nano-catalysts of Pt nanoparticles (NPs) with various mesoporous metal oxides such as Co3O4, MnO2 and CeO2 was explored in relation to bifunctional catalysis and interfacial charge transfer chemistry by using in situ NEXAFS spectroscopy. Likewise, bimetallic CoPt and PtSn nanoparticle catalysts supported on silica were investigated by using a combination of in situ NEXAFS spectroscopy and APXPS. Next, CO2 hydrogenation was carried out over bimetallic CoPt/SiO2 and Co/TiO2 hybrid nano-catalysts. In this case, in situ NEXAFS spectroscopy, APXPS, and ETEM indicated severe, yet reversible, surface restructuring that involved hydrogen atom spillover. Finally, similar to 2 nm Pt NPs were investigated using in situ SFG to study hydrogenation and hydrogenative isomerization reactions. Specifically, SFG indicated that the hydrogenation of furfural and crotonaldehyde proceed by interfacial hydrogen atom spillover from TiO2, while the hydrogenative isomerization of methylcyclopentane (MCP) proceeds by spillover and surface diffusion of cyclohexene over mesoporous zeolites. These studies unequivocally indicated the presence of a particular reaction channel that involved one way flow of charged (i.e. electrons or protons) or neutral species (i.e. reactants) at a broadly defined interface between metals and oxides. In addition to these case studies, experimental approaches employing capillary flow micro-reactors are discussed in relation toward the goal of short time resolutions that could help isolate such charged or neutral intermediates in the future.
C1 [Alayoglu, Selim; Somorjai, Gabor A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Chem Sci Div, Berkeley, CA USA.
[Alayoglu, Selim; Somorjai, Gabor A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA USA.
RP Somorjai, GA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Chem Sci Div, Berkeley, CA USA.
EM salayoglu@lbl.gov; somorjai@berkeley.edu
RI Foundry, Molecular/G-9968-2014
FU Materials Science Division (MSD) at the Lawrence Berkeley National
Laboratory; Director, Office of Energy Research, Office of Basic Energy
Sciences of the U.S. Department of Energy [DE-AC02-05CH1123]
FX Instrument part of this work was funded by the Materials Science
Division (MSD) at the Lawrence Berkeley National Laboratory. The
research in the MSD; and the user projects in the Advanced Light Source,
Molecular Foundry and National Center for Electron Microscopy were
supported by the Director, Office of Energy Research, Office of Basic
Energy Sciences of the U.S. Department of Energy under Contract
DE-AC02-05CH1123.
NR 120
TC 5
Z9 5
U1 24
U2 120
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1011-372X
EI 1572-879X
J9 CATAL LETT
JI Catal. Lett.
PD JAN
PY 2015
VL 145
IS 1
BP 249
EP 271
DI 10.1007/s10562-014-1398-y
PG 23
WC Chemistry, Physical
SC Chemistry
GA AY7BT
UT WOS:000347717000029
ER
PT J
AU Mittal, S
Vetter, JS
AF Mittal, Sparsh
Vetter, Jeffrey S.
TI A Survey of Methods for Analyzing and Improving GPU Energy Efficiency
SO ACM COMPUTING SURVEYS
LA English
DT Article
DE Experimentation; Management; Measurement; Performance; Analysis; GPU
(graphics-processing unit); energy saving; power management; energy
efficiency; architecture techniques; power model; green computing
ID REGISTER FILE; POWER; PERFORMANCE; PROCESSOR; SYSTEMS; COMPUTATION;
TRADEOFFS; SELECTION; CACHE
AB Recent years have witnessed phenomenal growth in the computational capabilities and applications of GPUs. However, this trend has also led to a dramatic increase in their power consumption. This article surveys research works on analyzing and improving energy efficiency of GPUs. It also provides a classification of these techniques on the basis of their main research idea. Further, it attempts to synthesize research works that compare the energy efficiency of GPUs with other computing systems (e.g., FPGAs and CPUs). The aim of this survey is to provide researchers with knowledge of the state of the art in GPU power management and motivate them to architect highly energy-efficient GPUs of tomorrow.
C1 [Mittal, Sparsh] Iowa State Univ, Ames, IA USA.
[Vetter, Jeffrey S.] Oak Ridge Natl Lab, Future Technol Grp, Oak Ridge, TN 37830 USA.
[Vetter, Jeffrey S.] Georgia Tech, Atlanta, GA USA.
RP Mittal, S (reprint author), Oak Ridge Natl Lab, Future Technol Grp, 1 Bethel Valley Rd,Bldg 5100,MS-6173, Oak Ridge, TN 37830 USA.
EM mittals@ornl.gov; vetter@ornl.gov
FU UT-Battelle, LLC [DE-AC05-00OR22725]; Office of Advanced Scientific
Computing Research in the U.S. Department of Energy
FX The work was performed when Sparsh Mittal was at Iowa State University.
The article has been authored by Oak Ridge National Laboratory, which is
managed by UT-Battelle, LLC under Contract #DE-AC05-00OR22725 to the
U.S. government. 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. This research is sponsored by the Office of Advanced
Scientific Computing Research in the U.S. Department of Energy.
NR 145
TC 5
Z9 5
U1 0
U2 9
PU ASSOC COMPUTING MACHINERY
PI NEW YORK
PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA
SN 0360-0300
EI 1557-7341
J9 ACM COMPUT SURV
JI ACM Comput. Surv.
PD JAN
PY 2015
VL 47
IS 2
AR 19
DI 10.1145/2636342
PG 23
WC Computer Science, Theory & Methods
SC Computer Science
GA CD9SE
UT WOS:000351437800005
ER
PT J
AU Singh, A
Taylor, LE
Vander Wall, TA
Linger, J
Himmel, ME
Podkaminer, K
Adney, WS
Decker, SR
AF Singh, Arjun
Taylor, Larry E., II
Vander Wall, Todd A.
Linger, Jeffrey
Himmel, Michael E.
Podkaminer, Kara
Adney, William S.
Decker, Stephen R.
TI Heterologous protein expression in Hypocrea jecorina: A historical
perspective and new developments
SO BIOTECHNOLOGY ADVANCES
LA English
DT Review
DE Trichoderma reesei; Hypocrea jecorina; QM6a; Rut-C30; cbh1; Cel7A;
Cellobiohydrolase; cbh1 deletion; Fungal transformation; Cellulase
expression systems
ID FUNGUS TRICHODERMA-REESEI; STEP GENE REPLACEMENT; BETA-GLUCOSIDASE GENE;
CELLOBIOHYDROLASE-I; TRANSFORMATION SYSTEM; SACCHAROMYCES-CEREVISIAE;
HORMOCONIS-RESINAE; FILAMENTOUS FUNGI; PICHIA-PASTORIS; GLUCOAMYLASE-P
AB Hypocrea jecorina, the sexual teleomorph of Trichoderma reesei, has long been favored as an industrial cellulase producer, first utilizing its native cellulase system and later augmented by the introduction of heterologous enzymatic activities or improved variants of native enzymes. Expression of heterologous proteins in H. jecorina was once considered difficult when the target was an improved variant of a native cellulase. Developments over the past nearly 30 years have produced strains, vectors, and selection mechanisms that have continued to simplify and streamline heterologous protein expression in this fungus. More recent developments in fungal molecular biology have pointed the way toward a fundamental transformation in the ease and efficiency of heterologous protein expression in this important industrial host. Here, I) we provide a historical perspective on advances in H. jecorina molecular biology, 2) outline host strain engineering, transformation, selection, and expression strategies, 3) detail potential pitfalls when working with this organism, and 4) provide consolidated examples of successful cellulase expression outcomes from our laboratory. (C) 2014 Published by Elsevier Inc.
C1 [Singh, Arjun; Linger, Jeffrey] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA.
[Taylor, Larry E., II; Vander Wall, Todd A.; Himmel, Michael E.; Podkaminer, Kara; Adney, William S.; Decker, Stephen R.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA.
RP Decker, SR (reprint author), NREL, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM Steve.decker@nrel.gov
FU U.S. Department of Energy [DE-AC36-08GO28308]; National Renewable Energy
Laboratory; DOE Office of Energy Efficiency and Renewable Energy,
Bioenergy Technologies Office
FX This work was supported by the U.S. 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, Bioenergy Technologies Office.
NR 107
TC 7
Z9 7
U1 6
U2 23
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0734-9750
EI 1873-1899
J9 BIOTECHNOL ADV
JI Biotechnol. Adv.
PD JAN-FEB
PY 2015
VL 33
IS 1
BP 142
EP 154
DI 10.1016/j.biotechadv.2014.11.009
PG 13
WC Biotechnology & Applied Microbiology
SC Biotechnology & Applied Microbiology
GA CD8BY
UT WOS:000351321400010
PM 25479282
ER
PT S
AU Solecki, W
Rosenzweig, C
Blake, R
de Sherbinin, A
Matte, T
Moshary, F
Rosenzweig, B
Arend, M
Gaffin, S
Bou-Zeid, E
Rule, K
Sweeny, G
Dessy, W
AF Solecki, William
Rosenzweig, Cynthia
Blake, Reginald
de Sherbinin, Alex
Matte, Tom
Moshary, Fred
Rosenzweig, Bernice
Arend, Mark
Gaffin, Stuart
Bou-Zeid, Elie
Rule, Keith
Sweeny, Geraldine
Dessy, Wendy
BE Rosenzweig, C
Solecki, W
TI New York City Panel on Climate Change 2015 Report Chapter 6: Indicators
and Monitoring
SO BUILDING THE KNOWLEDGE BASE FOR CLIMATE RESILIENCY: NEW YORK CITY PANEL
ON CLIMATE CHANGE 2015 REPORT
SE Annals of the New York Academy of Sciences
LA English
DT Article; Book Chapter
ID MANAGEMENT; SHIFTS
C1 [Solecki, William] CUNY, Inst Sustainable Cities, New York, NY 10021 USA.
[Rosenzweig, Cynthia] Columbia Univ, Climate Impacts Grp, NASA Goddard Inst Space Studies, Ctr Climate Syst Res,Earth Inst, New York, NY USA.
[Blake, Reginald] CUNY, Dept Phys, New York City Coll Technol, Brooklyn, NY 11210 USA.
[Blake, Reginald] NASA, Goddard Inst Space Studies, Climate Impacts Grp, Washington, DC 20546 USA.
[de Sherbinin, Alex] Columbia Univ, CIESIN, Palisades, NY USA.
[Matte, Tom] New York City Dept Hlth & Mental Hyg, New York, NY USA.
[Moshary, Fred; Arend, Mark] CUNY, City Coll New York, NOAA CREST, New York, NY 10021 USA.
[Rosenzweig, Bernice] CUNY, CUNY Environm Crossrd, City Coll New York, New York, NY 10021 USA.
[Gaffin, Stuart] Columbia Univ, Earth Inst, Ctr Climate Syst Res, New York, NY USA.
[Bou-Zeid, Elie] Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA.
[Rule, Keith] Princeton Univ, Plasma Phys Lab, Princeton, NJ USA.
[Sweeny, Geraldine; Dessy, Wendy] New York City Mayors Off Operat, New York, NY USA.
RP Solecki, W (reprint author), CUNY Hunter Coll, Dept Geog, New York, NY 10021 USA.
OI de Sherbinin, Alex/0000-0002-8875-4864
NR 49
TC 2
Z9 2
U1 0
U2 5
PU BLACKWELL SCIENCE PUBL
PI OXFORD
PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND
SN 0077-8923
J9 ANN NY ACAD SCI
JI Ann.NY Acad.Sci.
PY 2015
VL 1336
BP 89
EP 106
DI 10.1111/nyas.12587
PG 18
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA BC3EX
UT WOS:000351586900010
PM 25688948
ER
PT J
AU Durham, JL
Kirshenbaum, K
Takeuchi, ES
Marschilok, AC
Takeuchi, KJ
AF Durham, Jessica L.
Kirshenbaum, Kevin
Takeuchi, Esther S.
Marschilok, Amy C.
Takeuchi, Kenneth J.
TI Synthetic control of composition and crystallite size of silver ferrite
composites: profound electrochemistry impacts
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID HYDROTHERMAL SYNTHESIS; DELAFOSSITE STRUCTURE; PRE-EDGE; K-EDGE; IRON;
MAGNETITE; FE; COORDINATION; HOLLANDITE; CHEMISTRY
AB A paradigm for concomitant control of crystallite size and composition of bimetallic composites via co-precipitation is introduced. Direct preparation of composites of silver ferrite and amorphous maghemite via nonstoichiometric synthesis was demonstrated. Notable impact on electrochemistry was observed, with similar to 200% increase in reversible capacity for the small crystallite material.
C1 [Durham, Jessica L.; Takeuchi, Esther S.; Marschilok, Amy C.; Takeuchi, Kenneth J.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
[Kirshenbaum, Kevin; Takeuchi, Esther S.] Brookhaven Natl Lab, 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, KJ (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
EM kenneth.takeuchi.1@stonybrook.edu
FU Department of Energy (DOE), Office of Basic Energy Sciences (BES)
[DE-SC0008512]; Gertrude and Maurice Goldhaber Distinguished Fellowship
Program; DOE, Office of Science, BES [DE-AC02-98CH10886]
FX The authors acknowledge the Department of Energy (DOE), Office of Basic
Energy Sciences (BES), under Grant DE-SC0008512. K. Kirshenbaum
acknowledges the Gertrude and Maurice Goldhaber Distinguished Fellowship
Program. X-ray absorption spectra were collected on beam line X11A at
Brookhaven National Laboratory's National Synchrotron Light Source
(NSLS), supported by the DOE, Office of Science, BES, under Contract No.
DE-AC02-98CH10886. The authors acknowledge K. Pandya for assistance with
XAS.
NR 33
TC 6
Z9 6
U1 0
U2 36
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 2015
VL 51
IS 24
BP 5120
EP 5123
DI 10.1039/c4cc10277k
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA CD6TI
UT WOS:000351221900042
PM 25714656
ER
PT J
AU Liu, GK
AF Liu, Guokui
TI Advances in the theoretical understanding of photon upconversion in
rare-earth activated nanophosphors
SO CHEMICAL SOCIETY REVIEWS
LA English
DT Review
ID ORBIT-LATTICE RELAXATION; NEAR-INFRARED EMISSION; CRYSTAL-FIELD
ANALYSIS; ENERGY-TRANSFER; CONFIGURATION-INTERACTION; LANTHANIDE IONS;
SPECTROSCOPIC PROPERTIES; DIELECTRIC PARTICLES; EXCITED-STATES;
ANTI-STOKES
AB Photon upconversion in rare earth activated phosphors involves multiple mechanisms of electronic transitions. Stepwise optical excitation, energy transfer, and various nonlinear and collective light-matter interaction processes act together to convert low-energy photons into short-wavelength light emission. Upconversion luminescence from nanomaterials exhibits additional size and surface dependencies. A fundamental understanding of the overall performance of an upconversion system requires basic theories on the spectroscopic properties of solids containing rare earth ions. This review article surveys the recent progress in the theoretical interpretations of the spectroscopic characteristics and luminescence dynamics of photon upconversion in rare earth activated phosphors. The primary aspects of upconversion processes, including energy level splitting, transition probability, line broadening, nonradiative relaxation and energy transfer, are covered with an emphasis on interpreting experimental observations. Theoretical models and methods for analyzing nano-phenomena in upconversion are introduced with detailed discussions on recently reported experimental results.
C1 Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Liu, GK (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM gkliu@anl.gov
FU US Department of Energy, Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences
[DE-AC02-06CH11357]; CAS/SAFEA International Partnership Program for
Creative Research Teams
FX This material is based upon work supported by the US Department of
Energy, Office of Science, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences, and Biosciences, under contract
DE-AC02-06CH11357. The author acknowledges travel support from the
CAS/SAFEA International Partnership Program for Creative Research Teams.
NR 102
TC 46
Z9 46
U1 24
U2 120
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0306-0012
EI 1460-4744
J9 CHEM SOC REV
JI Chem. Soc. Rev.
PY 2015
VL 44
IS 6
BP 1635
EP 1652
DI 10.1039/c4cs00187g
PG 18
WC Chemistry, Multidisciplinary
SC Chemistry
GA CD7BI
UT WOS:000351244800015
PM 25286989
ER
PT J
AU Chan, EM
AF Chan, Emory M.
TI Combinatorial approaches for developing upconverting nanomaterials:
high-throughput screening, modeling, and applications
SO CHEMICAL SOCIETY REVIEWS
LA English
DT Review
ID UP-CONVERSION LUMINESCENCE; RARE-EARTH IONS; TRANSMISSION
ELECTRON-MICROSCOPY; LANTHANIDE-DOPED NANOPARTICLES; CONVERTING PHOSPHOR
REPORTERS; SIZE-EXCLUSION CHROMATOGRAPHY; CORE-SHELL NANOPARTICLES; PAR
TRANSFERT DENERGIE; UN TUNGSTATE MIXTE; ENERGY-TRANSFER
AB Colloidal nanoparticles doped with lanthanide ions can upconvert near-infrared light to visible frequencies, enabling the application of such materials to biological imaging and luminescent solar concentration. The optical properties of upconverting nanomaterials are determined by their combination of lanthanide dopants, by their morphology, by their host matrices, and by their surface ligands. Identifying ideal compositions and synthesis conditions for these materials can be tedious and time-consuming due to the large number of parameters to optimize. This review surveys the use of combinatorial strategies to rapidly screen and optimize diverse libraries of upconverting nanomaterials. I will review high-throughput techniques for synthesizing and characterizing large libraries of nanocrystals, and I will discuss theoretical methods for modeling the optical properties of lanthanide-doped materials. Case studies will illustrate the use of these approaches for optimizing the physical properties of upconverting nanoparticles, including cases in which unexpected phenomena were revealed. Finally, this review will identify promising opportunities in which combinatorial techniques could accelerate on-going research or facilitate the discovery of novel upconverting nanomaterials that overcome fundamental limitations of current material designs.
C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
RP Chan, EM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
EM EMChan@lbl.gov
RI Foundry, Molecular/G-9968-2014
FU Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy (DOE) [DE-AC02-05CH11231]
FX Work at the Molecular Foundry, Lawrence Berkeley National Laboratory was
supported by the Office of Science, Office of Basic Energy Sciences, of
the U.S. Department of Energy (DOE) under Contract No.
DE-AC02-05CH11231. The author acknowledges D. Hsieh for valuable input
on this manuscript; C. Dodson and R. Zia for assistance with
calculations; and E. Levy, A. Gotlin, J. Lee, C. Guan, J. Goldberg, J.
Urban, D. Milliron, B. Cohen, and J. Schuck for helpful discussions and
contributions to this research.
NR 234
TC 31
Z9 31
U1 22
U2 116
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0306-0012
EI 1460-4744
J9 CHEM SOC REV
JI Chem. Soc. Rev.
PY 2015
VL 44
IS 6
BP 1653
EP 1679
DI 10.1039/c4cs00205a
PG 27
WC Chemistry, Multidisciplinary
SC Chemistry
GA CD7BI
UT WOS:000351244800016
PM 25287124
ER
PT J
AU Kumar, G
Swaminathan, S
AF Kumar, Gyanendra
Swaminathan, Subramanyam
TI Recent Developments with Metalloprotease Inhibitor Class of Drug
Candidates for Botulinum Neurotoxins
SO CURRENT TOPICS IN MEDICINAL CHEMISTRY
LA English
DT Review
DE Bioterrorism; Clostridium botulinum; Drug discovery; Neurotoxin;
Protease inhibitor
ID LIGHT-CHAIN PROTEASE; CLOSTRIDIUM-BOTULINUM; SMALL-MOLECULE; SEROTYPE-A;
SUBSTRATE RECOGNITION; PROTEOLYTIC ACTIVITY; POTENT INHIBITORS; SNAP-25
SUBSTRATE; INFANT BOTULISM; TOXIN
AB Botulinum Neurotoxins are the most poisonous of all toxins with lethal dose in nanogram quantities. They are potential biological warfare and bioterrorism agents due to their high toxicity and ease of preparation. On the other hand BoNTs are also being increasingly used for therapeutic and cosmetic purposes, and with that the chances of accidental overdose are increasing. And despite the potential damage they could cause to human health, there are no post-intoxication drugs available so far. But progress is being made in this direction. The crystal structures in native form and bound with substrate peptides have been determined, and these are enabling structure-based drug discovery possible. High throughput assays have also been designed to speed up the screening progress. Substrate-based and small molecule inhibitors have been identified. But turning high affinity inhibitors into clinically viable drug candidates has remained a challenge. We discuss here the latest developments and the future challenges in drug discovery for Botulinum neurotoxins.
C1 [Kumar, Gyanendra; Swaminathan, Subramanyam] Brookhaven Natl Lab, Biol Environm & Climate Sci Dept, Upton, NY 11973 USA.
[Kumar, Gyanendra] St Jude Childrens Res Hosp, Dept Struct Biol, Memphis, TN USA.
RP Swaminathan, S (reprint author), Brookhaven Natl Lab, Biol Environm & Climate Sci Dept, 50 Bell Ave,Bldg 463, Upton, NY 11973 USA.
EM Gyanendra.Kumar@StJude.Org; swami@bnl.gov
FU DTRA under DOE prime [BO742081, DEAC02-98CH10886]; Brookhaven National
Laboratory
FX Research was supported by an award from DTRA BO742081 under DOE prime
contract No. DEAC02-98CH10886 (PI: SS) with Brookhaven National
Laboratory. The United States Government retains and the publisher, by
accepting the article for publication, acknowledges that the United
States Government retains a non-exclusive, paid-up, irrevocable,
world-wide license to publish or reproduce the published form of this
manuscript, or allow others to do so, for United States Government
purposes.
NR 76
TC 4
Z9 4
U1 2
U2 7
PU BENTHAM SCIENCE PUBL LTD
PI SHARJAH
PA EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB
EMIRATES
SN 1568-0266
EI 1873-4294
J9 CURR TOP MED CHEM
JI Curr. Top. Med. Chem.
PY 2015
VL 15
IS 7
BP 685
EP 695
PG 11
WC Chemistry, Medicinal
SC Pharmacology & Pharmacy
GA CD6KM
UT WOS:000351198000010
PM 25751268
ER
PT J
AU Connelly, SJ
Wiedner, ES
Appel, AM
AF Connelly, Samantha J.
Wiedner, Eric S.
Appel, Aaron M.
TI Predicting the reactivity of hydride donors in water: thermodynamic
constants for hydrogen
SO DALTON TRANSACTIONS
LA English
DT Article
ID TRANSITION-METAL-COMPLEXES; ELECTRODE-POTENTIALS; CARBON-DIOXIDE;
AQUEOUS-SOLUTION; CO2 REDUCTION; HYDRATION ENERGIES; NICKEL-CATALYST;
ACIDITY; PROTON; H-2
AB The chemical reactivity of hydride complexes can be predicted using bond strengths for homolytic and heterolytic cleavage of bonds to hydrogen. To determine these bond strengths, thermodynamic constants describing the stability of H+, H-center dot, H-, and H-2 are essential and need to be used uniformly to enable the prediction of reactivity and equilibria. Due to discrepancies in the literature for the constants used in water, we propose the use of a set of self-consistent constants with convenient standard states.
C1 [Connelly, Samantha J.; Wiedner, Eric S.; Appel, Aaron M.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Wiedner, ES (reprint author), Pacific NW Natl Lab, PBO 999,MS K2-57, Richland, WA 99352 USA.
EM eric.wiedner@pnnl.gov; aaron.appel@pnnl.gov
OI Wiedner, Eric/0000-0002-7202-9676; Appel, Aaron/0000-0002-5604-1253
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences Biosciences
FX The authors thank Dr James Muckerman, Dr Daniel DuBois, Dr Donald
Camaioni, and Prof. Alexander Miller for helpful discussions. The work
was supported by the U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences, Division of Chemical Sciences,
Geosciences & Biosciences.
NR 63
TC 17
Z9 17
U1 7
U2 23
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 2015
VL 44
IS 13
BP 5933
EP 5938
DI 10.1039/c4dt03841j
PG 6
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA CE0EF
UT WOS:000351476600001
PM 25697077
ER
PT J
AU Shamloo, A
Heibatollahi, M
Mofrad, MRK
AF Shamloo, Amir
Heibatollahi, Motahare
Mofrad, Mohammad R. K.
TI Directional migration and differentiation of neural stem cells within
three-dimensional microenvironments
SO INTEGRATIVE BIOLOGY
LA English
DT Article
ID TRAUMATIC BRAIN-INJURY; EXTRACELLULAR-MATRIX; MICROFLUIDIC DEVICE;
PRECURSOR CELLS; GROWTH-FACTOR; SUBVENTRICULAR ZONE; ADULT NEUROGENESIS;
CHEMOTAXIS; NEURONS; REPAIR
AB A Harnessing neural stem cells to repair neuronal damage is a promising potential treatment for neuronal diseases. To enable future therapeutic efficacy, the survival, proliferation, migration and differentiation of neural stem/progenitor cells (NPCs) should be accurately studied and optimized in in vitro platforms before transplanting these cells into the body for treatment purposes. Such studies can determine the appropriate quantities of the biochemical and biomechanical factors needed to control and optimize NPC behavior in vivo. In this study, NPCs were cultured within a microfluidic device while being encapsulated within the collagen matrix. The migration and differentiation of NPCs were studied in response to varying concentrations of nerve growth factor (NGF) and within varying densities of collagen matrices. It was shown that the migration and differentiation of NPCs can be significantly improved by providing the appropriate range of NGF concentrations while encapsulating the cells within the collagen matrix of optimal density. In particular, it was observed that within collagen matrices of intermediate density (0.9 mg ml(-1)), NPCs have a higher ability to migrate farther and in a collective manner while their differentiation into neurons is significantly higher and the cells can form protrusions and connections with their neighboring cells. Within collagen matrices with higher densities (1.8 mg ml (-1)), the cells did not migrate significantly as compared to the ones within lower matrix densities; within the matrices with lower collagen densities (0.45 mg ml(-1)) most of the cells migrated in an individual manner. However, no significant differentiation into neurons was observed for these two cases. It was also found that depending on the collagen matrix density, a minimum concentration of NGF caused a collective migration of NPCs, and a minimum concentration gradient of this factor stimulated the directional navigation of the cells. The results of this study can be implemented in designing platforms appropriate for regeneration of damaged neuronal systems.
C1 [Shamloo, Amir; Heibatollahi, Motahare; Mofrad, Mohammad R. K.] Univ Calif Berkeley, Dept Bioengn, Mol Cell Biomech Lab, Berkeley, CA 94720 USA.
[Shamloo, Amir; Heibatollahi, Motahare; Mofrad, Mohammad R. K.] Univ Calif Berkeley, Dept Mech Engn, Mol Cell Biomech Lab, Berkeley, CA 94720 USA.
[Shamloo, Amir] Sharif Univ Technol, Dept Mech Engn, Tehran, Iran.
[Mofrad, Mohammad R. K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
RP Mofrad, MRK (reprint author), Univ Calif Berkeley, Dept Bioengn, Mol Cell Biomech Lab, Berkeley, CA 94720 USA.
EM mofrad@berkeley.edu
FU National Science Foundation CAREER award [CBET-0955291]; Siebel Stem
Cell Institute
FX Financial support through a National Science Foundation CAREER award
CBET-0955291 (M.R.K.M.) and a Siebel Stem Cell Institute post-doctoral
fellowship (A.S.) is gratefully acknowledged. The authors would also
like to thank the UC Berkeley Stem Cell Center and QB3 Shared Stem Cell
Facilities for their assistance throughout this project. Fruitful
discussions with Dr David Schaffer and the members of the Molecular Cell
Biomechanics Laboratory are highly appreciated.
NR 60
TC 5
Z9 6
U1 3
U2 27
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 2015
VL 7
IS 3
BP 335
EP 344
DI 10.1039/c4ib00144c
PG 10
WC Cell Biology
SC Cell Biology
GA CD5OA
UT WOS:000351136500006
PM 25633746
ER
PT J
AU Williams, AP
Seager, R
Macalady, AK
Berkelhammer, M
Crimmins, MA
Swetnam, TW
Trugman, AT
Buenning, N
Noone, D
McDowell, NG
Hryniw, N
Mora, CI
Rahn, T
AF Williams, A. Park
Seager, Richard
Macalady, Alison K.
Berkelhammer, Max
Crimmins, Michael A.
Swetnam, Thomas W.
Trugman, Anna T.
Buenning, Nikolaus
Noone, David
McDowell, Nate G.
Hryniw, Natalia
Mora, Claudia I.
Rahn, Thom
TI Correlations between components of the water balance and burned area
reveal new insights for predicting forest fire area in the southwest
United States
SO INTERNATIONAL JOURNAL OF WILDLAND FIRE
LA English
DT Article
DE fire danger; tree mortality; warming
ID CLIMATE-CHANGE; NORTH-AMERICA; WESTERN USA; WILDFIRE; DROUGHT; WIND;
TEMPERATURE; PERSPECTIVE; VARIABILITY; SENSITIVITY
AB We related measurements of annual burned area in the southwest United States during 1984-2013 to records of climate variability. Within forests, annual burned area correlated at least as strongly with spring-summer vapour pressure deficit (VPD) as with 14 other drought-related metrics, including more complex metrics that explicitly represent fuel moisture. Particularly strong correlations with VPD arise partly because this term dictates the atmospheric moisture demand. Additionally, VPD responds to moisture supply, which is difficult to measure and model regionally due to complex micrometeorology, land cover and terrain. Thus, VPD appears to be a simple and holistic indicator of regional water balance. Coupled with the well-known positive influence of prior-year cold season precipitation on fuel availability and connectivity, VPD may be utilised for burned area forecasts and also to infer future trends, though these are subject to other complicating factors such as land cover change and management. Assuming an aggressive greenhouse gas emissions scenario, climate models predict mean spring-summer VPD will exceed the highest recorded values in the southwest in nearly 40% of years by the middle of this century. These results forewarn of continued increases in burned forest area in the southwest United States, and likely elsewhere, when fuels are not limiting.
C1 [Williams, A. Park; Seager, Richard] Columbia Univ, Lamont Doherty Earth Observ, Palisades, NY 10964 USA.
[Macalady, Alison K.; Swetnam, Thomas W.] Univ Arizona, Tree Ring Res Lab, Tucson, AZ 85724 USA.
[Berkelhammer, Max; Noone, David] Univ Colorado, Cooperat Inst Res Environm Sci, Dept Atmospher & Ocean Sci, Boulder, CO 80309 USA.
[Crimmins, Michael A.] Univ Arizona, Dept Soil Water & Environm Sci, Tucson, AZ 85721 USA.
[Trugman, Anna T.] Princeton Univ, Dept Atmospher & Ocean Sci, Princeton, NJ 08544 USA.
[Buenning, Nikolaus] Univ So Calif, Dept Earth Sci, Los Angeles, CA 90089 USA.
[McDowell, Nate G.; Mora, Claudia I.; Rahn, Thom] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA.
[Hryniw, Natalia] Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA.
RP Williams, AP (reprint author), Columbia Univ, Lamont Doherty Earth Observ, Palisades, NY 10964 USA.
EM williams@ldeo.columbia.edu
RI Williams, Park/B-8214-2016; Mora, Claudia/B-5511-2017;
OI Williams, Park/0000-0001-8176-8166; Mora, Claudia/0000-0003-2042-0208;
Rahn, Thomas/0000-0001-8634-1348
FU LANL-LDRD; DoE-BER; NOAA [NA10OAR4310137]; NSF
FX This work was supported by LANL-LDRD and DoE-BER. RS was supported by
NOAA awards NA10OAR4310137 (Global Decadal Hydroclimate Variability and
Change) and NSF award EASM2: Linking Near-term Future Changes in Weather
and Hydroclimate in Western North America to Adaptation for Ecosystem
and Water Management. Thanks to J. T. Abatzoglou, C. D. Allen, C.
Baisan, B. I. Cook, E. R. Cook, C. Daly, E. H.(T.) Hogg, B. E. Law, R.
R. Linn, N. Pederson, S. A. Rauscher, J. Sheffield, and A. M. Strong for
insightful conversations.
NR 76
TC 19
Z9 19
U1 7
U2 35
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 2015
VL 24
IS 1
BP 14
EP 26
DI 10.1071/WF14023
PG 13
WC Forestry
SC Forestry
GA CD9TV
UT WOS:000351442300002
ER
PT J
AU Zhang, PF
Jiang, XG
Wan, S
Dai, S
AF Zhang, Pengfei
Jiang, Xueguang
Wan, Shun
Dai, Sheng
TI Advancing polymers of intrinsic microporosity by mechanochemistry
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID COVALENT ORGANIC FRAMEWORKS; SOLVENT-FREE SYNTHESIS; POROUS POLYMERS;
1,4-DICYANOTETRAFLUOROBENZENE; POLYCONDENSATION; CATALYSIS; ZEOLITES;
DESIGN; PIMS
AB Herein, we report a fast (15 min) and solvent-free mechanochemical approach to construct polymers of intrinsic microporosity (PIMs) with high molecular mass and low polydispersity by solid grinding. The enhanced reaction efficiency results from the instantaneous frictional heating and continuous exposure of active sites within those solid reactants.
C1 [Zhang, Pengfei; Wan, Shun; Dai, Sheng] Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA.
[Jiang, Xueguang; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
RP Zhang, PF (reprint author), Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA.
EM chemistryzpf@163.com; dais@ornl.gov
RI Jiang, Xueguang/J-5784-2013; Dai, Sheng/K-8411-2015; Zhang,
Pengfei/I-5484-2013
OI Jiang, Xueguang/0000-0002-9937-6029; Dai, Sheng/0000-0002-8046-3931;
FU Fluid Interface Reactions, Structures and Transport (FIRST) Center, an
Energy Frontier Research Center - US Department of Energy, Office of
Science, Office of Basic Energy Sciences
FX This work was supported as part of the Fluid Interface Reactions,
Structures and Transport (FIRST) Center, an Energy Frontier Research
Center funded by the US Department of Energy, Office of Science, Office
of Basic Energy Sciences.
NR 27
TC 5
Z9 5
U1 6
U2 51
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 2015
VL 3
IS 13
BP 6739
EP 6741
DI 10.1039/c4ta07196d
PG 3
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CE1DM
UT WOS:000351552300003
ER
PT J
AU Hansson, R
Ericsson, LKE
Holmes, NP
Rysz, J
Opitz, A
Campoy-Quiles, M
Wang, EG
Barr, MG
Kilcoyne, ALD
Zhou, XJ
Dastoor, P
Moons, E
AF Hansson, Rickard
Ericsson, Leif K. E.
Holmes, Natalie P.
Rysz, Jakub
Opitz, Andreas
Campoy-Quiles, Mariano
Wang, Ergang
Barr, Matthew G.
Kilcoyne, A. L. David
Zhou, Xiaojing
Dastoor, Paul
Moons, Ellen
TI Vertical and lateral morphology effects on solar cell performance for a
thiophene-quinoxaline copolymer: PC70BM blend
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID RAY-ABSORPTION SPECTROSCOPY; ELECTRON-ESCAPE DEPTH; COATED THIN-FILMS;
PHASE-SEPARATION; PHOTOVOLTAIC DEVICES; PROCESSING ADDITIVES; NANOSCALE
MORPHOLOGY; ACTIVE LAYERS; POLYMER-BLEND; EFFICIENCY
AB The distribution of electron donor and acceptor in the active layer is known to strongly influence the electrical performance of polymer solar cells for most of the high performance polymer: fullerene systems. The formulation of the solution from which the active layer is spincoated plays an important role in the quest for morphology control. We have studied how the choice of solvent and the use of small amounts of a low vapour pressure additive in the coating solution influence the film morphology and the solar cell performance for blends of poly[2,3-bis-(3-octyloxyphenyl) quinoxaline-5,8-diyl-altthiophene-2,5-diyl] (TQ1) and [6,6]-phenyl C-71-butyric acid methyl ester (PC70BM). We have investigated the lateral morphology using atomic force microscopy (AFM) and scanning transmission X-ray microscopy (STXM), the vertical morphology using dynamic secondary ion mass spectrometry (d-SIMS) and variable-angle spectroscopic ellipsometry (VASE), and the surface composition using near-edge X-ray absorption fine structure (NEXAFS). The lateral phase-separated domains observed in films spincoated from single solvents, increase in size with increasing solvent vapour pressure and decreasing PC70BM solubility, but are not observed when 1-chloronaphthalene (CN) is added. A strongly TQ1-enriched surface layer is formed in all TQ1: PC70BM blend films and rationalized by surface energy differences. The photocurrent and power conversion efficiency strongly increased upon the addition of CN, while the leakage current decreased by one to two orders of magnitude. The higher photocurrent correlates with the finer lateral structure and stronger TQ1-enrichment at the interface with the electron-collecting electrode. This indicates that the charge transport and collection are not hindered by this polymer-enriched surface layer. Neither the open-circuit voltage nor the series resistance of the devices are sensitive to the differences in morphology.
C1 [Hansson, Rickard; Ericsson, Leif K. E.; Moons, Ellen] Karlstad Univ, Dept Engn & Phys, S-65188 Karlstad, Sweden.
[Holmes, Natalie P.; Barr, Matthew G.; Zhou, Xiaojing; Dastoor, Paul] Univ Newcastle, Ctr Organ Elect, Callaghan, NSW 2308, Australia.
[Rysz, Jakub] Jagiellonian Univ, Inst Phys, PL-30059 Krakow, Poland.
[Opitz, Andreas] Humboldt Univ, Dept Phys, D-12489 Berlin, Germany.
[Campoy-Quiles, Mariano] Inst Ciencia Mat Barcelona ICMAB CSIC, Bellaterra 08193, Spain.
[Wang, Ergang] Chalmers Univ Technol, Dept Chem & Chem Engn, S-41296 Gothenburg, Sweden.
[Kilcoyne, A. L. David] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Moons, E (reprint author), Karlstad Univ, Dept Engn & Phys, S-65188 Karlstad, Sweden.
EM ellen.moons@kau.se
RI Opitz, Andreas/L-7700-2015; Moons, Ellen/B-6252-2011; Rysz,
Jakub/F-1043-2012; Kilcoyne, David/I-1465-2013; Wang,
Ergang/F-8157-2010; Campoy-Quiles, Mariano/A-7768-2013
OI Opitz, Andreas/0000-0002-3214-8398; Moons, Ellen/0000-0002-1609-8909;
Rysz, Jakub/0000-0003-1668-3398; Wang, Ergang/0000-0002-4942-3771;
Campoy-Quiles, Mariano/0000-0002-8911-640X
FU Swedish Research Council [2010-4155]; Goran Gustafsson Foundation for
Research in Natural Sciences and Medicine; Spanish Ministerio de
Economia y Competitividad [MAT2012-37776]; Rontgen-Angstrom-Cluster;
Swedish Research Council; Office of Science, Office of Basic Energy
Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]
FX The authors thank Ana Sofia Anselmo and Monika Josiek for valuable
experimental contributions in the initial stages of the research
project, Christian Muller for the ellipsometry experiment and Alexei
Preobrajenski at beamline D1011, MAX-IV Laboratory, for valuable
technical advice with the NEXAFS experiments. E.M. acknowledges funding
from the Swedish Research Council (Project 2010-4155) and the Goran
Gustafsson Foundation for Research in Natural Sciences and Medicine.
M.C.-Q. thanks the Spanish Ministerio de Economia y Competitividad for
financial support through project PHOTOCOMB (MAT2012-37776). A.O.
acknowledges the Rontgen-Angstrom-Cluster for financial support. E.W.
acknowledges the Swedish Research Council for financial support. This
work was performed in part at the Materials node of the Australian
National Fabrication Facility, which is a company established under the
National Collaborative Research Infrastructure Strategy to provide nano
and microfabrication facilities for Australia's researchers. STXM data
were acquired at beamline 5.3.2.2 at the Advanced Light Source,
Berkeley, which is supported by the Director, Office of Science, Office
of Basic Energy Sciences, of the U.S. Department of Energy under
Contract no. DE-AC02-05CH11231.
NR 61
TC 11
Z9 11
U1 4
U2 29
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 2015
VL 3
IS 13
BP 6970
EP 6979
DI 10.1039/c5ta00683j
PG 10
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CE1DM
UT WOS:000351552300034
ER
PT J
AU Xin, FX
Wang, XL
Bai, JM
Wen, W
Tian, HJ
Wang, CS
Han, WQ
AF Xin, Fengxia
Wang, Xiaoliang
Bai, Jianming
Wen, Wen
Tian, Huajun
Wang, Chunsheng
Han, Weiqiang
TI A lithiation/delithiation mechanism of monodispersed MSn5 (M = Fe, Co
and FeCo) nanospheres
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID LITHIUM-ION BATTERIES; ANODE MATERIAL; HIGH-CAPACITY; ELECTROCHEMICAL
PROPERTIES; SECONDARY BATTERIES; SN NANOCRYSTALS; LI; PERFORMANCE;
STORAGE; ALLOY
AB A designed Sn based alloy host as a higher capacity and longer cycle life next generation lithium-ion battery, consisting of monodisperse nanospheres of intermetallic MSn5 (M = Fe, Co and FeCo) phases was synthesized by a nanocrystal conversion chemistry method using preformed Sn nanospheres as templates. The same crystal structure, identical particle surface morphology and the similar particle size distribution (30-50 nm) of these intermetallic MSn5 (M = Fe, Co and FeCo) phases are ideal for comparison of the electrochemical performance, reaction mechanism, thermodynamics and kinetics during lithiation/delithiation. Importantly, MSn5 (M = Fe, Co and FeCo) phases with defect structures Fe0.74Sn5, Co0.83Sn5 and Fe0.35Co0.35Sn5, exhibit the highest theoretical capacity of >917 mA h g(-1) among the reported M-Sn (M is electro-chemically inactive) based intermetallic anodes. The ex situ XRD and XAFS illustrate the complete reversibility of MSn5 (M = Fe, Co and FeCo) phases during lithium insertion/extraction for the first cycle. The Fe0.35Co0.35Sn5 anode can take advantage of both high capacity of Fe0.74Sn5 and long cycle life of Co0.83Sn5, providing 736 mA h g(-1) and maintaining 92.7% of initial capacity after 100 cycles with an average capacity loss of only 0.07% per cycle. The excellent electrochemical performance of the Fe0.5Co0.5Sn5 system is attributed to higher reversibility, lower reaction resistance. This work provides a novel insight toward designing and exploring an optimal Sn based alloy anode for next generation Li-ion batteries.
C1 [Xin, Fengxia; Wang, Xiaoliang; Tian, Huajun; Han, Weiqiang] Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Ningbo 315201, Zhejiang, Peoples R China.
[Bai, Jianming] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA.
[Wen, Wen] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai Synchrotron Radiat Facil, Shanghai 201204, Peoples R China.
[Wang, Chunsheng] Univ Maryland, Dept Chem & Biomol Engn, College Pk, MD 20742 USA.
RP Han, WQ (reprint author), Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Ningbo 315201, Zhejiang, Peoples R China.
EM cswang@umd.edu; hanweiqiang@nimte.ac.cn
RI Tian, Huajun/E-8816-2011; Han, WQ/E-2818-2013; Wang,
Chunsheng/H-5767-2011; Bai, Jianming/O-5005-2015
OI Wang, Chunsheng/0000-0002-8626-6381;
FU Chinese Project Academy of Science [XDA01020304]; National Natural
Science Foundation of China [51371186]; Ningbo 3315 International Team
of Advanced Energy Storage Materials; Zhejiang Province Key Science and
Technology Innovation Team [2013PT16]; China Postdoctoral Science
Foundation [2013M541807]; Ningbo Natural Science Foundation
[2014A610046]
FX This work is supported by the "Strategic Priority Research Program" of
the Chinese Project Academy of Science, Grant no. XDA01020304, the
National Natural Science Foundation of China (Grant no. 51371186),
Ningbo 3315 International Team of Advanced Energy Storage Materials,
Zhejiang Province Key Science and Technology Innovation Team (Grant no.
2013PT16), China Postdoctoral Science Foundation funded project (Grant
no. 2013M541807) and Ningbo Natural Science Foundation (Grant no.
2014A610046).
NR 48
TC 8
Z9 8
U1 11
U2 65
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 2015
VL 3
IS 13
BP 7170
EP 7178
DI 10.1039/c4ta06960a
PG 9
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CE1DM
UT WOS:000351552300057
ER
PT J
AU Li, Z
Gosztola, DJ
Sun, CJ
Heald, SM
Sun, YG
AF Li, Zheng
Gosztola, David J.
Sun, Cheng-Jun
Heald, Steve M.
Sun, Yugang
TI Exceptional enhancement of Raman scattering on silver chlorobromide
nanocube photonic crystals: chemical and photonic contributions
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID SINGLE-MOLECULE DETECTION; OPTICAL-PROPERTIES; SPECTROSCOPY; SERS;
SPECTRA; NANOPARTICLES; ELECTRODE; PYRIDINE; NANOSTRUCTURES;
IDENTIFICATION
AB Photonic crystals made from self-assembly of mono-dispersed AgClxBr1-x nanocubes, which are not plasmonically active, have been discovered to exceptionally enhance the Raman scattering of molecules chemically adsorbed on their surfaces. Comprehensive control measurements and X-ray absorption near-edge structure spectroscopy indicate that the Raman enhancement on AgClxBr1-x nanocube photonic crystals is primarily ascribed to the chemical enhancement mechanism associated with the chemical interactions between adsorbing molecules and the AgClxBr1-x surfaces. In addition, the ordering of AgClxBr1-x nanocubes in the photonic crystals can selectively reflect Raman scattering back to the detector at the bandgap position of the photonic crystals to provide additional enhancement, i.e., photonic mode enhancement. The thiophenol molecules adsorbed on AgCl0.44Br0.56 nanocube photonic crystals exhibit astonishingly strong Raman signals that are on the same order of magnitude as those recorded from the thiophenol molecules adsorbed on the assembled Ag nanocubes.
C1 [Li, Zheng; Gosztola, David J.; Sun, Yugang] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
[Sun, Cheng-Jun; Heald, Steve M.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Sun, YG (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM ygsun@anl.gov
RI Sun, Yugang /A-3683-2010; Gosztola, David/D-9320-2011; Li,
Zheng/L-1355-2016
OI Sun, Yugang /0000-0001-6351-6977; Gosztola, David/0000-0003-2674-1379;
Li, Zheng/0000-0001-5281-8101
FU U. S. Department of Energy, Office of Science, Office of Basic Energy
Sciences User Facility [DE-AC02-06CH11357]; US Department of Energy -
Basic Energy Sciences; Canadian Light Source; University of Washington;
Advanced Photon Source; U. S. DOE [DE-AC02-06CH11357]
FX This work was 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. PNC/XSD facilities
at the Advanced Photon Source, and research at these facilities, are
supported by the US Department of Energy - Basic Energy Sciences, the
Canadian Light Source and its funding partners, the University of
Washington, and the Advanced Photon Source. Use of the Advanced Photon
Source, an Office of Science User Facility operated for the U. S.
Department of Energy (DOE) Office of Science by Argonne National
Laboratory, was supported by the U. S. DOE under Contract no.
DE-AC02-06CH11357.
NR 47
TC 1
Z9 1
U1 1
U2 24
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 2015
VL 3
IS 11
BP 2455
EP 2461
DI 10.1039/c5tc00077g
PG 7
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA CD3NA
UT WOS:000350984200003
ER
PT J
AU Park, M
Jung, SH
Lim, J
Kim, DY
Kim, HJ
Lee, S
Jung, H
Lee, S
Lee, C
Lee, JK
AF Park, Myeongjin
Jung, Seok-Heon
Lim, Jaehoon
Kim, Dae-Young
Kim, Hee-Jin
Lee, Seungyong
Jung, Heeyoung
Lee, Seonghoon
Lee, Changhee
Lee, Jin-Kyun
TI Semiconductor nanocrystals in fluorous liquids for the construction of
light-emitting diodes
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID QUANTUM DOTS; ORGANIC ELECTRONICS; POLYMER; DEVICES;
ELECTROLUMINESCENCE; HYDROFLUOROETHERS; SEPARATION; EFFICIENCY;
SOLVENTS; BRIGHT
AB This communication reports a materials handling strategy based on fluorous materials chemistry using CdSe/CdS/CdZnS core-shell type semiconductor nanocrystals. When the crystals were treated with the semi-perfluoroalkanethiol ligands in the presence of (Pr2EtN)-Pr-i, the surface-modified nanocrystals (R(F)1-NC and R(F)2-NC) became soluble in the fluorous liquids. Solutions of R(F)1-NC and R(F)2-NC in HFE-7500 enabled the solution-casting of nanocrystalline films on top of a small-molecular hole-transporting layer and provided layered structures suitable for light-emitting diode fabrication.
C1 [Park, Myeongjin; Jung, Heeyoung; Lee, Changhee] Seoul Natl Univ, Dept Elect & Comp Engn, Interuniv Semicond Res Ctr, Seoul 151744, South Korea.
[Jung, Seok-Heon; Kim, Dae-Young; Kim, Hee-Jin; Lee, Seungyong; Lee, Jin-Kyun] Inha Univ, Dept Polymer Sci & Engn, Inchon 402751, South Korea.
[Lim, Jaehoon] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA.
[Lee, Seonghoon] Seoul Natl Univ, Sch Chem, Seoul 151747, South Korea.
RP Lee, C (reprint author), Seoul Natl Univ, Dept Elect & Comp Engn, Interuniv Semicond Res Ctr, Seoul 151744, South Korea.
EM chlee7@snu.ac.kr; jkl36@inha.ac.kr
RI Lee, Changhee/A-2471-2009
OI Lee, Changhee/0000-0003-2800-8250
FU Fundamental R&D Program for Core Technology of Materials [10041220];
Industrial Strategic Technology Development Program - Ministry of Trade,
Industry and Energy (MOTIE, Korea) [10045145]; Inha University
FX This study was supported by the Fundamental R&D Program for Core
Technology of Materials (grant no. 10041220) and Industrial Strategic
Technology Development Program (grant no. 10045145) funded by the
Ministry of Trade, Industry and Energy (MOTIE, Korea). J.K.L. thanks
Inha University for partial support.
NR 35
TC 1
Z9 1
U1 1
U2 13
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 2015
VL 3
IS 12
BP 2759
EP 2762
DI 10.1039/c4tc02503b
PG 4
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA CD9YZ
UT WOS:000351459300006
ER
PT J
AU Kim, KJ
Chong, XY
Kreider, PB
Ma, GH
Ohodnicki, PR
Baltrus, JP
Wang, AX
Chang, CH
AF Kim, Ki-Joong
Chong, Xinyuan
Kreider, Peter B.
Ma, Guoheng
Ohodnicki, Paul R.
Baltrus, John P.
Wang, Alan X.
Chang, Chih-Hung
TI Plasmonics-enhanced metal-organic framework nanoporous films for highly
sensitive near-infrared absorption
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID THIN-FILMS; SENSING APPLICATIONS; RAMAN-SPECTROSCOPY; GAS; FABRICATION;
SENSORS; NANOCRYSTALS; NANOANTENNAS; ADSORPTION; ELECTRODES
AB Combined plasmonic nanocrystals and metal-organic framework thin-films are fabricated for sensing gases in the near-infrared range. This nanocomposite thin-film shows a highly sensitive response in near-infrared absorption, which is attributed to preconcentration of gas molecules in metal-organic framework pores causing close proximity to the electromagnetic fields at the plasmonic nanocrystal surface.
C1 [Kim, Ki-Joong; Kreider, Peter B.; Ma, Guoheng; Chang, Chih-Hung] Oregon State Univ, Sch Chem, Biol Environm Engn, Corvallis, OR 97331 USA.
[Chong, Xinyuan; Wang, Alan X.] Oregon State Univ, Sch Elect Engn & Comp Sci, Corvallis, OR 97331 USA.
[Ohodnicki, Paul R.; Baltrus, John P.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
RP Chang, CH (reprint author), Oregon State Univ, Sch Chem, Biol Environm Engn, Corvallis, OR 97331 USA.
EM wang@eecs.oregonstate.edu; chih-hung.chang@oregonstate.edu
NR 52
TC 8
Z9 8
U1 4
U2 44
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 2015
VL 3
IS 12
BP 2763
EP 2767
DI 10.1039/c4tc02846e
PG 5
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA CD9YZ
UT WOS:000351459300007
ER
PT J
AU Benk, MP
Miyakawa, RH
Chao, W
Wang, YG
Wojdyla, A
Johnson, DG
Donoghue, AP
Goldberg, KA
AF Benk, Markus P.
Miyakawa, Ryan H.
Chao, Weilun
Wang, Yow-Gwo
Wojdyla, Antoine
Johnson, David G.
Donoghue, Alexander P.
Goldberg, Kenneth A.
TI Broader view on extreme ultraviolet masks: adding complementary imaging
modes to the SHARP microscope
SO JOURNAL OF MICRO-NANOLITHOGRAPHY MEMS AND MOEMS
LA English
DT Article
DE photomask; extreme ultraviolet; mask imaging; zoneplate; Zernike phase
contrast; differential interference contrast
ID X-RAY MICROSCOPY; PHASE-CONTRAST; ZONE PLATES
AB The authors are expanding the capabilities of the SHARP microscope by implementing complementary imaging modes. SHARP (the SEMATECH High-NA Actinic Reticle Review Project) is an actinic, synchrotron-based microscope dedicated to extreme ultraviolet photomask research. SHARP's programmable Fourier synthesis illuminator and its use of Fresnel zoneplate lenses as imaging optics provide a versatile framework, facilitating the implementation of diverse modes beyond conventional imaging. In addition to SHARP's set of standard zoneplates, we have created more than 100 zoneplates for complementary imaging modes, all designed to extract additional information from photomasks, to improve navigation, and to enhance defect detection. More than 50 new zoneplates are installed in the tool; the remaining lenses are currently in production. We discuss the design and fabrication of zoneplates for complementary imaging modes and present image data, obtained using Zernike phase contrast and different implementations of differential interference contrast (DIC). First results show that Zernike phase contrast can significantly increase the signal from phase defects in SHARP image data, thus improving the sensitivity of the microscope. DIC is effective on a variety of features, including phase defects and intensity speckle from substrate and multilayer roughness. The additional imaging modes are now available to users of the SHARP microscope. (C) The Authors.
C1 [Benk, Markus P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, SHARP Microscope, Ctr Xray Opt, Berkeley, CA 94720 USA.
[Miyakawa, Ryan H.; Wojdyla, Antoine; Johnson, David G.; Donoghue, Alexander P.; Goldberg, Kenneth A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA.
[Chao, Weilun; Wang, Yow-Gwo] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Wang, Yow-Gwo] Univ Calif Berkeley, Dept EECS, Berkeley, CA 94720 USA.
RP Benk, MP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, SHARP Microscope, Ctr Xray Opt, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM mpbenk@lbl.gov
FU Office of Science, Office of Basic Energy Sciences, of U.S. Department
of Energy [DE-AC02-05CH11231]; SEMATECH
FX The Advanced Light Source at Lawrence Berkeley National Laboratory is
supported by the Director, Office of Science, Office of Basic Energy
Sciences, of the U.S. Department of Energy under Contract No.
DE-AC02-05CH11231. We gratefully acknowledge SEMATECH funding of the
SHARP microscope, and Anne Rudack the SHARP project manager. Test masks
used in imaging experiments described above were provided by
GLOBALFOUNDRIES and Intel.
NR 16
TC 2
Z9 2
U1 1
U2 2
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 2015
VL 14
IS 1
AR 013507
DI 10.1117/1.JMM.14.1.013507
PG 8
WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology;
Materials Science, Multidisciplinary; Optics
SC Engineering; Science & Technology - Other Topics; Materials Science;
Optics
GA CE2IZ
UT WOS:000351640600015
ER
PT J
AU Imam, S
Noguera, DR
Donohue, TJ
AF Imam, Saheed
Noguera, Daniel R.
Donohue, Timothy J.
TI CceR and AkgR Regulate Central Carbon and Energy Metabolism in
Alphaproteobacteria
SO MBIO
LA English
DT Article
ID RHODOBACTER-SPHAEROIDES; ESCHERICHIA-COLI; BACILLUS-SUBTILIS; CATABOLITE
REPRESSION; MICROBIAL-METABOLISM; GLUCOSE-METABOLISM; GENE-EXPRESSION;
BINDING-SITE; PROTEIN; IDENTIFICATION
AB Many pathways of carbon and energy metabolism are conserved across the phylogeny, but the networks that regulate their expression or activity often vary considerably among organisms. In this work, we show that two previously uncharacterized transcription factors (TFs) are direct regulators of genes encoding enzymes of central carbon and energy metabolism in the alphaproteobacterium Rhodobacter sphaeroides. The LacI family member CceR (RSP_1663) directly represses genes encoding enzymes in the Entner-Doudoroff pathway, while activating those encoding the F1F0 ATPase and enzymes of the tricarboxylic acid (TCA) cycle and gluconeogenesis, providing a direct transcriptional network connection between carbon and energy metabolism. We identified bases that are important for CceR DNA binding and showed that DNA binding by this TF is inhibited by 6-phosphogluconate. We also showed that the GntR family TF AkgR (RSP_0981) directly activates genes encoding several TCA cycle enzymes, and we identified conditions where its activity is increased. The properties of single and double Delta CceR and Delta AkgR mutants illustrate that these 2 TFs cooperatively regulate carbon and energy metabolism. Comparative genomic analysis indicates that CceR and AkgR orthologs are found in other alphaproteobacteria, where they are predicted to have a conserved function in regulating central carbon metabolism. Our characterization of CceR and AkgR has provided important new insight into the networks that control central carbon and energy metabolism in alphaproteobacteria that can be exploited to modify or engineer new traits in these widespread and versatile bacteria.
IMPORTANCE To extract and conserve energy from nutrients, cells coordinate a set of metabolic pathways into integrated networks. Many pathways that conserve energy or interconvert metabolites are conserved across cells, but the networks regulating these processes are often highly variable. In this study, we characterize two previously unknown transcriptional regulators of carbon and energy metabolism that are conserved in alphaproteobacteria, a group of abundant, environmentally and biotechnologically important organisms. We identify the genes they regulate, the DNA sequences they recognize, the metabolite that controls the activity of one of the regulators, and conditions where they are required for growth. We provide important new insight into conserved cellular networks that can also be used to improve a variety of hosts for converting feedstock into valuable products.
C1 [Imam, Saheed] Univ Wisconsin, Grad Program Cellular & Mol Biol, Madison, WI 53706 USA.
[Imam, Saheed; Donohue, Timothy J.] Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA.
[Imam, Saheed; Noguera, Daniel R.; Donohue, Timothy J.] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA.
[Noguera, Daniel R.] Univ Wisconsin, Dept Civil & Environm Engn, Madison, WI 53706 USA.
RP Donohue, TJ (reprint author), Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA.
EM tdonohue@bact.wisc.edu
OI Donohue, Timothy/0000-0001-8738-2467
FU Department of Energy, Office of Science, Great Lakes Bioenergy Research
Center [DE-FC02-07ER64494]; Genomics: GTL and SciDAC programs
[DE-FG02-04ER25627]; University of Wisconsin-Madison Bacteriology
Department
FX This work was supported by the Department of Energy, Office of Science,
Great Lakes Bioenergy Research Center (DE-FC02-07ER64494), the Genomics:
GTL and SciDAC programs (DE-FG02-04ER25627), and a William H. Peterson
Predoctoral Fellowship from the University of Wisconsin-Madison
Bacteriology Department to S.I.
NR 65
TC 3
Z9 3
U1 1
U2 8
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 2015
VL 6
IS 1
AR e02461-14
DI 10.1128/mBio.02461-14
PG 15
WC Microbiology
SC Microbiology
GA CC8PZ
UT WOS:000350631900034
ER
PT J
AU Kim, HK
Falugi, F
Thomer, L
Missiakas, DM
Schneewind, O
AF Kim, Hwan Keun
Falugi, Fabiana
Thomer, Lena
Missiakas, Dominique M.
Schneewind, Olaf
TI Protein A Suppresses Immune Responses during Staphylococcus aureus
Bloodstream Infection in Guinea Pigs
SO MBIO
LA English
DT Article
ID B-CELL SUPERANTIGEN; CONJUGATE VACCINE; ABSCESS FORMATION;
SURFACE-PROTEINS; GENOME SEQUENCE; ALPHA-HEMOLYSIN; S AUREUS; COMMUNITY;
RESISTANT; MODEL
AB Staphylococcus aureus infection is not associated with the development of protective immunity, and disease relapses occur frequently. We hypothesize that protein A, a factor that binds immunoglobulin Fc gamma and cross-links V(H)3 clan B cell receptors (IgM), is the staphylococcal determinant for host immune suppression. To test this, vertebrate IgM was examined for protein A cross-linking. High V(H)3 binding activity occurred with human and guinea immunoglobulin, whereas mouse and rabbit immunoglobulins displayed little and no binding, respectively. Establishing a guinea pig model of S. aureus bloodstream infection, we show that protein A functions as a virulence determinant and suppresses host B cell responses. Immunization with SpA(KKAA), which cannot bind immunoglobulin, elicits neutralizing antibodies that enable guinea pigs to develop protective immunity.
IMPORTANCE Staphylococcus aureus is the leading cause of soft tissue and bloodstream infections; however, a vaccine with clinical efficacy is not available. Using mice to model staphylococcal infection, earlier work identified protective antigens; however, corresponding human clinical trials did not reach their endpoints. We show that B cell receptor (IgM) cross-linking by protein A is an important immune evasion strategy of S. aureus that can be monitored in a guinea pig model of bloodstream infection. Further, immunization with nontoxigenic protein A enables infected guinea pigs to elicit antibody responses that are protective against S. aureus. Thus, the guinea pig model may support preclinical development of staphylococcal vaccines.
C1 [Kim, Hwan Keun; Falugi, Fabiana; Thomer, Lena; Missiakas, Dominique M.; Schneewind, Olaf] Univ Chicago, Dept Microbiol, Chicago, IL 60637 USA.
[Kim, Hwan Keun; Falugi, Fabiana; Thomer, Lena; Missiakas, Dominique M.; Schneewind, Olaf] Argonne Natl Lab, Howard Taylor Ricketts Lab, Argonne, IL 60439 USA.
RP Schneewind, O (reprint author), Univ Chicago, Dept Microbiol, Chicago, IL 60637 USA.
EM oschnee@bsd.uchicago.edu
FU National Institute of Allergy and Infectious Diseases Infectious
Diseases Branch [AI038897, AI052474]
FX This work was supported by grants AI038897 and AI052474 from the
National Institute of Allergy and Infectious Diseases Infectious
Diseases Branch to O.S. Hwan Keun Kim, Dominique M. Missiakas, and Olaf
Schneewind are inventors of patent applications related to the
development of S. aureus vaccines that are currently under commercial
license.
NR 69
TC 0
Z9 0
U1 1
U2 7
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 2015
VL 6
IS 1
AR e02369-14
DI 10.1128/mBio.02369-14
PG 11
WC Microbiology
SC Microbiology
GA CC8PZ
UT WOS:000350631900037
ER
PT J
AU Shi, BC
Chang, M
Martin, J
Mitreva, M
Lux, R
Klokkevold, P
Sodergren, E
Weinstock, GM
Haake, SK
Li, HY
AF Shi, Baochen
Chang, Michaela
Martin, John
Mitreva, Makedonka
Lux, Renate
Klokkevold, Perry
Sodergren, Erica
Weinstock, George M.
Haake, Susan K.
Li, Huiying
TI Dynamic Changes in the Subgingival Microbiome and Their Potential for
Diagnosis and Prognosis of Periodontitis
SO MBIO
LA English
DT Article
ID TREPONEMA-DENTICOLA; DISEASE; HEALTH; BACTERIA; CHEMOTAXIS; DISCOVERY;
VISUALIZATION; DIVERSITY; MOTILITY
AB The human microbiome influences and reflects the health or disease state of the host. Periodontitis, a disease affecting about half of American adults, is associated with alterations in the subgingival microbiome of individual tooth sites. Although it can be treated, the disease can reoccur and may progress without symptoms. Without prognostic markers, follow-up examinations are required to assess reoccurrence and disease progression and to determine the need for additional treatments. To better identify and predict the disease progression, we aim to determine whether the subgingival microbiome can serve as a diagnosis and prognosis indicator. Using metagenomic shotgun sequencing, we characterized the dynamic changes in the subgingival microbiome in periodontitis patients before and after treatment at the same tooth sites. At the taxonomic composition level, the periodontitis-associated microorganisms were significantly shifted from highly correlated in the diseased state to poorly correlated after treatment, suggesting that coordinated interactions among the pathogenic microorganisms are essential to disease pathogenesis. At the functional level, we identified disease-associated pathways that were significantly altered in relative abundance in the two states. Furthermore, using the subgingival microbiome profile, we were able to classify the samples to their clinical states with an accuracy of 81.1%. Follow-up clinical examination of the sampled sites supported the predictive power of the microbiome profile on disease progression. Our study revealed the dynamic changes in the subgingival microbiome contributing to periodontitis and suggested potential clinical applications of monitoring the subgingival microbiome as an indicator in disease diagnosis and prognosis.
IMPORTANCE Periodontitis is a common oral disease. Although it can be treated, the disease may reoccur without obvious symptoms. Current clinical examination parameters are useful in disease diagnosis but cannot adequately predict the outcome of individual tooth sites after treatment. A link between the subgingival microbiota and periodontitis was identified previously; however, it remains to be investigated whether the microbiome can serve as a diagnostic and prognostic indicator. In this study, for the first time, we characterized the subgingival microbiome of individual tooth sites before and after treatment using a large-scale metagenomic analysis. Our longitudinal study revealed changes in the microbiota in taxonomic composition, cooccurrence of subgingival microorganisms, and functional composition. Using the microbiome profiles, we were able to classify the clinical states of subgingival plaque samples with a high accuracy. Follow-up clinical examination of sampled sites indicates that the subgingival microbiome profile shows promise for the development of diagnostic and prognostic tools.
C1 [Shi, Baochen; Li, Huiying] Univ Calif Los Angeles, David Geffen Sch Med, Crump Inst Mol Imaging, Dept Mol & Med Pharmacol, Los Angeles, CA 90095 USA.
[Chang, Michaela; Lux, Renate; Klokkevold, Perry; Haake, Susan K.] Univ Calif Los Angeles, Sch Dent, Sect Periodont, Los Angeles, CA 90024 USA.
[Martin, John; Mitreva, Makedonka] Washington Univ, Genome Inst, St Louis, MO USA.
[Sodergren, Erica; Weinstock, George M.] Jackson Lab Genom Med, Farmington, CT USA.
[Li, Huiying] UCLA DOE Inst Genom & Prote, Los Angeles, CA USA.
RP Li, HY (reprint author), Univ Calif Los Angeles, David Geffen Sch Med, Crump Inst Mol Imaging, Dept Mol & Med Pharmacol, Los Angeles, CA 90095 USA.
EM huiying@mednet.ucla.edu
FU NIH/NIDCR [RC1 DE020298, R01 DE021574]
FX This study was supported by NIH/NIDCR grants RC1 DE020298 and R01
DE021574.
NR 49
TC 6
Z9 6
U1 0
U2 12
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 2015
VL 6
IS 1
AR e01926-14
DI 10.1128/mBio.01926-14
PG 11
WC Microbiology
SC Microbiology
GA CC8PZ
UT WOS:000350631900061
PM 25691586
ER
PT J
AU Zhou, JZ
He, ZL
Yang, YF
Deng, Y
Tringe, SG
Alvarez-Cohen, L
AF Zhou, Jizhong
He, Zhili
Yang, Yunfeng
Deng, Ye
Tringe, Susannah G.
Alvarez-Cohen, Lisa
TI High-Throughput Metagenomic Technologies for Complex Microbial Community
Analysis: Open and Closed Formats
SO MBIO
LA English
DT Review
ID 16S RIBOSOMAL-RNA; ANTIBIOTIC-RESISTANCE GENES; 50-MER OLIGONUCLEOTIDE
ARRAYS; MICROARRAY-BASED ANALYSIS; HUMAN GUT MICROBIOTA; SEA OIL PLUME;
UNCULTURED MICROORGANISMS; DEEP-SEA; HETEROLOGOUS EXPRESSION;
PHYLOGENETIC MICROARRAY
AB Understanding the structure, functions, activities and dynamics of microbial communities in natural environments is one of the grand challenges of 21st century science. To address this challenge, over the past decade, numerous technologies have been developed for interrogating microbial communities, of which some are amenable to exploratory work (e. g., high-throughput sequencing and phenotypic screening) and others depend on reference genes or genomes (e. g., phylogenetic and functional gene arrays). Here, we provide a critical review and synthesis of the most commonly applied "open-format" and "closed-format" detection technologies. We discuss their characteristics, advantages, and disadvantages within the context of environmental applications and focus on analysis of complex microbial systems, such as those in soils, in which diversity is high and reference genomes are few. In addition, we discuss crucial issues and considerations associated with applying complementary high-throughput molecular technologies to address important ecological questions.
C1 [Zhou, Jizhong; He, Zhili; Deng, Ye] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA.
[Zhou, Jizhong; He, Zhili; Deng, Ye] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA.
[Zhou, Jizhong; Yang, Yunfeng] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China.
[Zhou, Jizhong; Alvarez-Cohen, Lisa] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Deng, Ye] Chinese Acad Sci, RCEES, Beijing, Peoples R China.
[Tringe, Susannah G.] Dept Energy Joint Genome Inst, Walnut Creek, CA USA.
[Alvarez-Cohen, Lisa] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA.
RP Zhou, JZ (reprint author), Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA.
EM jzhou@ou.edu
OI Tringe, Susannah/0000-0001-6479-8427; ?, ?/0000-0002-7584-0632
FU U.S. Department of Energy (DOE), Office of Science, Office of Biological
and Environmental Research's (OBER) Genomics Science Program to Lawrence
Berkeley National Laboratory (LBNL); OBER Biological Systems Research on
the Role of Microbial Communities in Carbon Cycling program
[DE-SC0004601]; U.S. National Science Foundation (NSF) MacroSystems
Biology program [EF-1065844]; NSF [CBET-1336709]; Strategic
Environmental Research and Development Program [ER-1587]; National
Institute of Environmental Health Sciences Superfund [P42ES004705]; DOE
Early Career Research Program [KP/CH57/1]; DOE Office of Science
[DE-AC02-05CH11231]; Collaborative Innovation Center for Regional
Environmental Quality; State Key Joint Laboratory of Environment
Simulation and Pollution Control at Tsinghua University
FX The efforts in preparing this review were supported, through contract
DE-AC02-05CH11231 (as part of ENIGMA, a Scientific Focus Area), by
funding from the U.S. Department of Energy (DOE), Office of Science,
Office of Biological and Environmental Research's (OBER) Genomics
Science Program to Lawrence Berkeley National Laboratory (LBNL), by the
OBER Biological Systems Research on the Role of Microbial Communities in
Carbon Cycling program (DE-SC0004601), by the U.S. National Science
Foundation (NSF) MacroSystems Biology program through grant EF-1065844
to J.Z. and Z.H. and NSF CBET-1336709 to L.A.-C., by Strategic
Environmental Research and Development Program grant ER-1587 and
National Institute of Environmental Health Sciences Superfund grant
P42ES004705 to L.A.-C., by DOE Early Career Research Program grant no.
KP/CH57/1 to S.G.T., and by the DOE Office of Science under contract no.
DE-AC02-05CH11231 to DOE-Joint Genome Institute (JGI)/LBNL. This work
was also supported by funding from the Collaborative Innovation Center
for Regional Environmental Quality and State Key Joint Laboratory of
Environment Simulation and Pollution Control at Tsinghua University to
J.Z.
NR 165
TC 33
Z9 34
U1 39
U2 164
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 2015
VL 6
IS 1
AR e02288-14
DI 10.1128/mBio.02288-14
PG 17
WC Microbiology
SC Microbiology
GA CC8PZ
UT WOS:000350631900064
ER
PT J
AU Xu, YT
Guo, Y
Li, C
Zhou, XY
Tucker, MC
Fu, XZ
Sun, R
Wong, CP
AF Xu, Yi-Tao
Guo, Ying
Li, Chang
Zhou, Xuan-Yu
Tucker, Michael C.
Fu, Xian-Zhu
Sun, Rong
Wong, Ching-Ping
TI Graphene oxide nano-sheets wrapped Cu2O microspheres as improved
performance anode materials for lithium ion batteries
SO NANO ENERGY
LA English
DT Article
DE Graphene oxide nano-sheets; Cu2O microspheres; Lithium ion batteries;
3D; Anode materials; In-situ electrochemical reduction
ID ELECTROCHEMICAL PERFORMANCE; ELECTRODE MATERIALS; PHOTOCATALYTIC
ACTIVITY; ENERGY-STORAGE; GRAPHITE OXIDE; POROUS CARBON; COMPOSITE;
NANOCRYSTALS; FABRICATION; PAPER
AB Cu2O microspheres were successfully encapsulated by graphene oxide (GO) nano-sheets and used directly as the anode material for lithium ion batteries. The core-shell structured Cu2O@GO composite delivered a reversible capacity of 458 mA h g(-1) at a current density of 100 mA g(-1) after 50 cycles. Even at a high charge-discharge rate of 1000 mA g(-1), Cu2O@GO still demonstrated a reversible capacity of 240 mA h g(-1) after 200 cycles, significantly higher than those of the bare Cu2O microspheres (37 mA h g(-1)) and GO nano-sheets (11 mA h g(-1)). The rate capability evaluated by the ratio of capacity at 100 mA g(-1)/1000 mA g(-1) current density was 49%, 25% and 9.8% for Cu2O@GO, bare Cu2O and GO, respectively. The greatly enhanced performance for GO nano-sheets wrapped Cu2O microspheres composite mainly resulted from the synergistic effect of Cu2O microspheres and GO nano-sheets core-shell composite: the flexible in-situ electrochemically reduced GO nano-sheet coating layer functioning as an efficient three dimensional (3D) conductive network and lithium storage active material; the Cu2O microsphere core functioning as a skeleton to support multilayer GO sheets and avoid GO nano-sheets aggregation. (C) 2014 Elsevier Ltd. All rights reserved.
C1 [Xu, Yi-Tao; Guo, Ying; Li, Chang; Zhou, Xuan-Yu; Fu, Xian-Zhu; Sun, Rong; Wong, Ching-Ping] Chinese Acad Sci, Shenzhen Inst Adv Technol, Shenzhen 518055, Peoples R China.
[Xu, Yi-Tao] Univ Sci & Technol China, Inst Nano Sci & Technol, Suzhou 215123, Peoples R China.
[Tucker, Michael C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Wong, Ching-Ping] Chinese Univ Hong Kong, Dept Elect Engn, Hong Kong, Hong Kong, Peoples R China.
[Wong, Ching-Ping] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA.
RP Fu, XZ (reprint author), Chinese Acad Sci, Shenzhen Inst Adv Technol, Shenzhen 518055, Peoples R China.
EM xz.fu@siat.ac.cn; rong.sun@siat.ac.cn
FU National Natural Science Foundation of China [21203236]; Guangdong and
Shenzhen Innovative Research Team Program [2011D052,
KYPT20121228160843692]; Shenzhen basic research plan [JC201005270372A]
FX This work was financially supported by the National Natural Science
Foundation of China (no. 21203236), Guangdong and Shenzhen Innovative
Research Team Program (nos. 2011D052, KYPT20121228160843692), and
Shenzhen basic research plan (JC201005270372A).
NR 39
TC 31
Z9 33
U1 49
U2 217
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 2211-2855
EI 2211-3282
J9 NANO ENERGY
JI Nano Energy
PD JAN
PY 2015
VL 11
BP 38
EP 47
DI 10.1016/j.nanoen.2014.10.011
PG 10
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CD6JB
UT WOS:000351194300005
ER
PT J
AU Tian, M
Wang, W
Liu, Y
Jungjohann, KL
Harris, CT
Lee, YC
Yang, RG
AF Tian, Miao
Wang, Wei
Liu, Yang
Jungjohann, Katherine L.
Harris, C. Thomas
Lee, Yung-Cheng
Yang, Ronggui
TI A three-dimensional carbon nano-network for high performance lithium ion
batteries
SO NANO ENERGY
LA English
DT Article
DE Three-dimensional nano-network; Carbon; Li-ion battery; Anode
ID ATOMIC LAYER DEPOSITION; HYBRID ELECTRIC VEHICLES; REDUCED GRAPHENE
OXIDE; ENERGY-STORAGE; ELECTROCHEMICAL PERFORMANCE; MICROBATTERY
APPLICATIONS; ANODE MATERIAL; TIO2 ANATASE; NANOTUBES; COMPOSITE
AB Three-dimensional (3D) network structure has been envisioned as a superior architecture for lithium ion battery (LIB) electrodes, which enhances both ion and electron transport to significantly improve battery performance. Herein, a 3D carbon nano-network is fabricated through chemical vapor deposition of carbon on a scalably manufactured 3D porous anodic alumina (PAA) template. As a demonstration on the applicability of 3D carbon nano-network for LIB electrodes, the low conductivity active material, TiO2, is then uniformly coated on the 3D carbon nano-network using atomic layer deposition. High power performance is demonstrated in the 3D C/TiO2 electrodes, where the parallel tubes and gaps in the 3D carbon nano-network facilitates fast Li ion transport. A large areal capacity of similar to 0.37 mAh cm(-2) is achieved due to the large TiO2 mass loading in the 60 pm-thick 3D C/TiO2 electrodes. At a test rate of C/5, the 3D C/TiO2 electrode with 18 nm-thick TiO2 delivers a high gravimetric capacity of similar to 240 mAh g(-1), calculated with the mass of the whole electrode. A long cycle life of over 1000 cycles with a capacity retention of 91% is demonstrated at 1C. The effects of the electrical conductivity of carbon nano-network, ion diffusion, and the electrolyte permeability on the rate performance of these 3D C/TiO2 electrodes are systematically studied. (C) 2014 Elsevier Ltd. All rights reserved.
C1 [Tian, Miao; Lee, Yung-Cheng; Yang, Ronggui] Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA.
[Wang, Wei] Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Adv Liion Batteries Engn Lab, Ningbo 315201, Zhejiang, Peoples R China.
[Liu, Yang; Jungjohann, Katherine L.; Harris, C. Thomas] Sandia Natl Labs, Ctr Integrated Nanotechnol CINT, Albuquerque, NM 87123 USA.
RP Yang, RG (reprint author), Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA.
EM ronggui.yang@colorado.edu
RI Yang, Ronggui/H-1278-2011; Wang, Wei/B-3556-2012
FU DARPA Center on Nanoscale Science and Technology for Integrated
Micro/Nano-Electro-mechanical Transducers (iMINT) - Defense Advanced
Research Projects Agency (DARPA) N/MEMS S&T Fundamentals program
[N66001-10-1-4007]; NNIN; National Science Foundation [ECS-0335765];
U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX This work was supported by the DARPA Center on Nanoscale Science and
Technology for Integrated Micro/Nano-Electro-mechanical Transducers
(iMINT), supported by the Defense Advanced Research Projects Agency
(DARPA) N/MEMS S&T Fundamentals program under grant no. N66001-10-1-4007
issued by the Space and Naval Warfare Systems Center Pacific (SPAWAR).
Some of the micro/nano-fabrication work was conducted in the Colorado
Nanofabrication Laboratories, supported in part by the NNIN and the
National Science Foundation under Grant No. ECS-0335765. The TEM
characterization work was performed at the Center for Integrated
Nanotechnologies, an Office of Science User Facility operated for the
U.S. Department of Energy (DOE) Office of Science. Sandia National
Laboratories is a multiprogram laboratory managed and operated by Sandia
Corporation, a wholly owned subsidiary of Lockheed Martin Corporation,
for the U.S. Department of Energy's National Nuclear Security
Administration under contract DE-AC04-94AL85000.
NR 70
TC 14
Z9 14
U1 17
U2 134
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 2211-2855
EI 2211-3282
J9 NANO ENERGY
JI Nano Energy
PD JAN
PY 2015
VL 11
BP 500
EP 509
DI 10.1016/j.nanoen.2014.11.006
PG 10
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CD6JB
UT WOS:000351194300051
ER
PT J
AU Xing, ZY
Wang, B
Gao, WY
Pan, CQ
Halsted, JK
Chong, ES
Lu, J
Wang, XF
Luo, W
Chang, CH
Wen, YH
Ma, SQ
Amine, K
Ji, XL
AF Xing, Zhenyu
Wang, Bao
Gao, Wenyang
Pan, Changqing
Halsted, Joshua K.
Chong, Elliot S.
Lu, Jun
Wang, Xingfeng
Luo, Wei
Chang, Chih-Hung
Wen, Youhai
Ma, Shengqian
Amine, Khalil
Ji, Xiulei
TI Reducing CO2 to dense nanoporous graphene by Mg/Zn for high power
electrochemical capacitors
SO NANO ENERGY
LA English
DT Article
DE CO2 reduction; Nanoporous graphene; Magnesiothermic reduction;
Electrochemical capacitors
ID ULTRAHIGH-ENERGY DENSITY; HIGH-PERFORMANCE; GRAPHITE OXIDE;
MICRO-SUPERCAPACITORS; CHEMICAL-REDUCTION; CARBON-DIOXIDE; STORAGE;
FILMS; ULTRACAPACITORS; ELECTRODES
AB Converting CO2 to valuable materials is attractive. Herein, we report using simple metallothermic reactions to reduce atmospheric CO2 to dense nanoporous graphene. By using a Zn/Mg mixture as a reductant, the resulted nanoporous graphene exhibits highly desirable properties: high specific surface area of 1900 m(2)/g, a great conductivity of 1050 S/m and a tap density of 0.63 g/cm(3), comparable to activated carbon. The nanoporous graphene contains a fine mesoporous structure constructed by curved few-layer graphene nanosheets. The unique property ensemble enables one of the best high-rate performances reported for electrochemical capacitors: a specific capacitance of similar to 170 F/g obtained at 2000 mV/s and 40 F/g at a frequency of 120 Hz. This simple fabricating strategy conceptually provides opportunities for materials scientists to design and prepare novel carbon materials with metallothermic reactions. (C) 2014 Elsevier Ltd. All rights reserved.
C1 [Xing, Zhenyu; Wang, Bao; Halsted, Joshua K.; Chong, Elliot S.; Wang, Xingfeng; Luo, Wei; Ji, Xiulei] Oregon State Univ, Dept Chem, Corvallis, OR 97331 USA.
[Lu, Jun; Amine, Khalil] Argonne Natl Lab, Lemont, IL 60439 USA.
[Pan, Changqing; Chang, Chih-Hung] Oregon State Univ, Sch Chem Biol & Environm Engn, Corvallis, OR 97331 USA.
[Wen, Youhai] Natl Energy Technol Lab, Albany, OR 97321 USA.
[Gao, Wenyang; Ma, Shengqian] Univ S Florida, Dept Chem, Tampa, FL 33620 USA.
RP Amine, K (reprint author), Argonne Natl Lab, Lemont, IL 60439 USA.
EM amine@anl.gov; david.ji@oregonstate.edu
RI Wang, Bao/G-9032-2015; Luo, Wei/E-1582-2011; Ma, Shengqian/B-4022-2012;
Halsted, Joshua/P-4605-2014
OI Luo, Wei/0000-0002-4019-4634; Ma, Shengqian/0000-0002-1897-7069;
Halsted, Joshua/0000-0001-6986-3072
FU Oregon State University
FX X. J. gratefully acknowledges the financial support from Oregon State
University. We would like to thank Dr. Peter Eschbach and Ms. Teresa
Sawyer for the SEM measurements at the OSU Electron Microscopy Facility.
Additional acknowledgments extend out to Mr. Joshua Razink for the TEM
measurements at the Center for Advanced Materials Characterization at
Oregon (CAMCOR) at the University of Oregon.
NR 60
TC 19
Z9 19
U1 17
U2 78
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 2211-2855
EI 2211-3282
J9 NANO ENERGY
JI Nano Energy
PD JAN
PY 2015
VL 11
BP 600
EP 610
DI 10.1016/j.nanoen.2014.11.011
PG 11
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CD6JB
UT WOS:000351194300062
ER
PT J
AU Papadas, IT
Subrahmanyam, KS
Kanatzidis, MG
Armatas, GS
AF Papadas, I. T.
Subrahmanyam, K. S.
Kanatzidis, M. G.
Armatas, G. S.
TI Templated assembly of BiFeO3 nanocrystals into 3D mesoporous networks
for catalytic applications
SO NANOSCALE
LA English
DT Article
ID LIGHT PHOTOCATALYTIC PROPERTIES; THIN-FILM HETEROSTRUCTURES;
VISIBLE-LIGHT; BISMUTH FERRITE; METAL NANOPARTICLES; P-NITROPHENOL;
REDUCTION; ADSORPTION; FIELDS
AB The self-assembly of uniform nanocrystals into large porous architectures is currently of immense interest for nanochemistry and nanotechnology. These materials combine the respective advantages of discrete nanoparticles and mesoporous structures. In this article, we demonstrate a facile nanoparticle templating process to synthesize a three-dimensional mesoporous BiFeO3 material. This approach involves the polymer-assisted aggregating assembly of 3-aminopropanoic acid-stabilized bismuth ferrite (BiFeO3) nanocrystals followed by thermal decomposition of the surfactant. The resulting material consists of a network of tightly connected BiFeO3 nanoparticles (similar to 6-7 nm in diameter) and has a moderately high surface area (62 m(2) g(-1)) and uniform pores (ca. 6.3 nm). As a result of the unique mesostructure, the porous assemblies of BiFeO3 nanoparticles show an excellent catalytic activity and chemical stability for the reduction of p-nitrophenol to p-aminophenol with NaBH4.
C1 [Papadas, I. T.; Armatas, G. S.] Univ Crete, Dept Mat Sci & Technol, Iraklion 71003, Crete, Greece.
[Subrahmanyam, K. S.; Kanatzidis, M. G.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
[Kanatzidis, M. G.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
RP Armatas, GS (reprint author), Univ Crete, Dept Mat Sci & Technol, Iraklion 71003, Crete, Greece.
EM garmatas@materials.uoc.gr
RI Armatas, Gerasimos/F-4753-2011;
OI Armatas, Gerasimos/0000-0001-9475-1929; Papadas,
Ioannis/0000-0003-4718-1411
FU Greek Ministry of Education (NSRF); European Union under the ERC Grant
Schemes (MESOPOROUS-NPs) [ERC-09]; European Union under THALES [MIS
80802]; NEUP grant from the Department of Energy, Office of Nuclear
Energy
FX We acknowledge support from the Greek Ministry of Education (NSRF) and
the European Union under the ERC Grant Schemes (ERC-09, MESOPOROUS-NPs)
and THALES project (MIS 80802). Research at Northwestern University was
supported by a NEUP grant from the Department of Energy, Office of
Nuclear Energy.
NR 42
TC 7
Z9 7
U1 14
U2 77
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
EI 2040-3372
J9 NANOSCALE
JI Nanoscale
PY 2015
VL 7
IS 13
BP 5737
EP 5743
DI 10.1039/c5nr00185d
PG 7
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CE2CD
UT WOS:000351619600023
PM 25743612
ER
PT J
AU Mueller, DN
Machala, ML
Bluhm, H
Chueh, WC
AF Mueller, David N.
Machala, Michael L.
Bluhm, Hendrik
Chueh, William C.
TI Redox activity of surface oxygen anions in oxygen-deficient perovskite
oxides during electrochemical reactions
SO NATURE COMMUNICATIONS
LA English
DT Article
ID RAY-ABSORPTION-SPECTROSCOPY; ELECTRONIC-STRUCTURE; TRANSITION-METAL;
FUEL-CELLS; CHARGE COMPENSATION; MODEL; ION; NONSTOICHIOMETRY;
LA1-XSRXFEO3; SEGREGATION
AB Surface redox-active centres in transition-metal oxides play a key role in determining the efficacy of electrocatalysts. The extreme sensitivity of surface redox states to temperatures, to gas pressures and to electrochemical reaction conditions renders them difficult to investigate by conventional surface-science techniques. Here we report the direct observation of surface redox processes by surface-sensitive, operando X-ray absorption spectroscopy using thin-film iron and cobalt perovskite oxides as model electrodes for elevated-temperature oxygen incorporation and evolution reactions. In contrast to the conventional view that the transition metal cations are the dominant redox-active centres, we find that the oxygen anions near the surface are a significant redox partner to molecular oxygen due to the strong hybridization between oxygen 2p and transition metal 3d electronic states. We propose that a narrow electronic state of significant oxygen 2p character near the Fermi level exchanges electrons with the oxygen adsorbates. This result highlights the importance of surface anion-redox chemistry in oxygen-deficient transition-metal oxides.
C1 [Mueller, David N.; Machala, Michael L.; Chueh, William C.] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA.
[Bluhm, Hendrik] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Chueh, William C.] Stanford Inst Mat & Energy Sci, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
RP Chueh, WC (reprint author), Stanford Univ, Dept Mat Sci & Engn, 496 Lomita Mall, Stanford, CA 94305 USA.
EM wchueh@stanford.edu
RI Mueller, David/Q-6371-2016
OI Mueller, David/0000-0002-1062-6985
FU US Department of Energy, Office of Fossil Energy [DE-FE0009620];
Department of Energy, Laboratory Directed Research and Development
funding [DE-AC02-76SF00515]; Division of Chemical Sciences, Geosciences,
and Biosciences of the US Department of Energy at the Lawrence Berkeley
National Laboratory [DE-AC02-05CH11231]; National Science Foundation
[DGE-114747]
FX The materials component of this work was supported by the US Department
of Energy, Office of Fossil Energy, Grant No. DE-FE0009620; and the
X-ray spectroscopy component was supported by the Department of Energy,
Laboratory Directed Research and Development funding, under contract
DE-AC02-76SF00515. The ALS and the Molecular Environmental Sciences
beamline 11.0.2 are supported by the Director, Office of Science, Office
of Basic Energy Sciences, and the Division of Chemical Sciences,
Geosciences, and Biosciences of the US Department of Energy at the
Lawrence Berkeley National Laboratory under Contract No.
DE-AC02-05CH11231. M.L.M. was supported by the National Science
Foundation Graduate Research Fellowship under Grant No. DGE-114747. We
thank A.H. McDaniel, F. El Gabaly (Sandia National Laboratories), M. Ng,
A. Shavorskiy, O. Karslioglu, I. Zegkinoglou (Lawrence Berkeley National
Laboratory), I. Leung, A. Feng, Y. Shi and X. Ye (Stanford University)
for experimental assistance. We also thank T. Devereaux, B. Moritz, C.
Li, C. Jia (Stanford University/SLAC National Accelerator Laboratory)
and F. M. F. de Groot (Utrecht University) for insightful discussions.
NR 52
TC 40
Z9 40
U1 27
U2 172
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
PY 2015
VL 6
AR 6097
DI 10.1038/ncomms7097
PG 8
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA CE5FU
UT WOS:000351857300001
PM 25598003
ER
PT J
AU Amaral, SV
Bevelhimer, MS
Cada, GF
Giza, DJ
Jacobson, PT
McMahon, BJ
Pracheil, BM
AF Amaral, Stephen V.
Bevelhimer, Mark S.
Cada, Glenn F.
Giza, Daniel J.
Jacobson, Paul T.
McMahon, Brian J.
Pracheil, Brenda M.
TI Evaluation of Behavior and Survival of Fish Exposed to an Axial-Flow
Hydrokinetic Turbine
SO NORTH AMERICAN JOURNAL OF FISHERIES MANAGEMENT
LA English
DT Article
ID ATLANTIC SALMON; AMERICAN SHAD; SMOLTS; WATER; MARK
AB Previous studies have evaluated fish injury and mortality at hydrokinetic (HK) turbines, but because these studies focused on the impacts of these turbines in situ they were unable to evaluate fish responses to controlled environmental characteristics (e.g., current velocity and light or dark conditions). In this study, we used juvenile hybrid Striped Bass (HSB; Striped Bass Morone saxatilis x White Bass M. chrysops; N = 620), Rainbow Trout Oncorhynchus mykiss (N = 3,719), and White Sturgeon Acipenser transmontanus (N = 294) in a series of laboratory experiments to (1) evaluate the ability of fish to avoid entrainment through an axial-flow HK turbine, (2) evaluate fish injury and survival associated with turbine entrainment, and (3) compare the effects of different HK turbines on fish. We found that the probability of turbine entrainment was species dependent and highest for HSB. Across species, current velocity influenced entrainment probability. Among entrained fish, observed survival rates were generally >0.95. The probability of injury for surviving entrained fish only differed from that for nonentrained fish for Rainbow Trout and in general was not >0.20. The probability of injury following entrainment was greater only for HSB, although there were no differences in injury rates between fish that were turbine entrained and those that were not, suggesting that injuries were not turbine related. Taking turbine entrainment, survival, and injury estimates together allowed us to estimate the probability of a randomly selected fish in a population proximate to an HK turbine surviving passage or remaining uninjured after passage. For species and current velocities for which there was a significant effect due to entrainment, we estimated, for instance, that HSB had a survival probability of 0.95 and that Rainbow Trout and White Sturgeon had a >0.99 probability of survival. Similarly, by combining these estimates with those from previous studies, we derived total passage survival probabilities >0.90 but generally approaching 1.00 across different HK turbine types, fish species, and fish lengths.
C1 [Amaral, Stephen V.; Giza, Daniel J.; McMahon, Brian J.] Alden Res Lab Inc, Holden, MA 01520 USA.
[Bevelhimer, Mark S.; Cada, Glenn F.; Pracheil, Brenda M.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
[Jacobson, Paul T.] Elect Power Res Inst, Columbia, MD 21044 USA.
RP Pracheil, BM (reprint author), Oak Ridge Natl Lab, Div Environm Sci, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM pracheilbm@ornl.gov
FU U.S. Department of Energy and Electric Power Research Institute; U.S.
Department of Energy's (DOE) Energy Efficiency and Renewable Energy
Office, Wind and Water Power Technologies Program through Oak Ridge
National Laboratory [DE-AC05-00OR22725]
FX We thank E. Lovelace (formerly with Free Flow Power) and T. Pham
(Massachusetts Maritime Academy) for technical turbine assistance,
Alabama Power for use of their DIDSON unit, and N. Lucia, J. Muise, and
S. St. Jean of Alden Laboratories for laboratory technical assistance.
We also thank J. Brown-Saracino, S. Bickel, and three anonymous
reviewers for manuscript comments. This study was funded by the U.S.
Department of Energy and Electric Power Research Institute. G.F.C.,
M.S.B., and B.M.P. were supported by the U.S. Department of Energy's
(DOE) Energy Efficiency and Renewable Energy Office, Wind and Water
Power Technologies Program through Oak Ridge National Laboratory, which
is managed by UT-Battelle, LLC, for the DOE under contract
DE-AC05-00OR22725. Opinions expressed are those of the authors and do
not reflect those of their employers.
NR 34
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Z9 3
U1 5
U2 16
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0275-5947
EI 1548-8675
J9 N AM J FISH MANAGE
JI North Am. J. Fish Manage.
PY 2015
VL 35
IS 1
BP 97
EP 113
DI 10.1080/02755947.2014.982333
PG 17
WC Fisheries
SC Fisheries
GA CD9VN
UT WOS:000351447600009
ER
PT J
AU Koschny, R
Krupp, W
Xu, LX
Mueller, WC
Bauer, M
Sinn, P
Keller, M
Koschny, T
Walczak, H
Bruckner, T
Ganten, TM
Holland, H
AF Koschny, Ronald
Krupp, Wolfgang
Xu, Li-Xin
Mueller, Wolf C.
Bauer, Manfred
Sinn, Peter
Keller, Marius
Koschny, Thomas
Walczak, Henning
Bruckner, Thomas
Ganten, Tom M.
Holland, Heidrun
TI WHO grade related expression of TRAIL-receptors and apoptosis regulators
in meningioma
SO PATHOLOGY RESEARCH AND PRACTICE
LA English
DT Article
DE Meningioma; Immunohistochemistry; TRAIL-receptor; Apoptosis regulators
ID HEPATOCELLULAR-CARCINOMA; ANTICANCER THERAPY; DEATH RECEPTORS; LIGAND
TRAIL; CANCER-CELLS; RESISTANCE; CASPASE-8; SURVIVAL; CFLIP; BCL-2
AB Background and aims: The expression of the tumor necrosis factor-related apoptosis-inducing ligand (TRAIL) receptors and key regulators of the extrinsic apoptosis pathway correlate with clinical features and the WHO grade of malignancy in some tumor entities. Expression of pro-apoptotic TRAIL receptors and executioners of apoptosis are a prerequisite for TRAIL-based therapies as a promising future targeted therapy.
Methods: Human meningioma tissues (n = 24 WHO grade I, n = 7 WHO grade II, n = 6 WHO grade III) were immunohistochemically analyzed for the expression of TRAIL-R1, TRAIL-R2, TRAIL-R3, TRAIL-R4, caspase-8, cFLIP, Bc1-2, Bcl-XL, Mcl-1, Bax, and Bak. Staining intensities were quantified by an automated software-based algorithm.
Results: While TRAIL-R1 and TRAIL-R3 were nearly absent in meningiomas, TRAIL-R2 and TRAIL-R4 were abundantly expressed. However, only TRAIL-R4 expression correlated with the WHO grade of malignancy. Bc1-2 showed a non-significant upregulation in WHO grade III meningiomas. Bcl-XL and Mc1-1 expression was significantly higher in WHO grade II compared to grade I. Bcl-XL and TRAIL-R4 expression correlated with the mitotic activity (Ki67) of the tumor. Furthermore, TRAIL-R2 expression correlated with TRAIL-R4. Bak expression correlated with both, Bcl-XL and Mc1-1 expression. The expression patterns did neither correlate with the progression-free nor with the overall survival of the meningioma patients.
Conclusions: Apoptosis-inducing TRAIL-R2 and all key executioners of the extrinsic apoptosis pathway are abundantly expressed in meningioma. For some regulators of apoptosis with opposite functions, the expression of the pro-apoptotic protein significantly correlated with the expression level of the respective anti-apoptotic binding partner, possibly resulting in a steady-state of apoptosis. TRAIL-R2 might serve as a novel therapeutic target in meningioma. (C) 2014 Elsevier GmbH. All rights reserved.
C1 [Koschny, Ronald; Ganten, Tom M.] Univ Heidelberg Hosp, Dept Gastroenterol, Heidelberg, Germany.
[Krupp, Wolfgang; Xu, Li-Xin] Univ Leipzig, Dept Neurosurg, D-04109 Leipzig, Germany.
[Xu, Li-Xin; Holland, Heidrun] Translat Ctr Regenerat Med TRM, Leipzig, Germany.
[Xu, Li-Xin; Holland, Heidrun] Univ Leipzig, Fac Med, D-04109 Leipzig, Germany.
[Mueller, Wolf C.; Bauer, Manfred] Univ Leipzig, Dept Neuropathol, D-04109 Leipzig, Germany.
[Sinn, Peter] Univ Heidelberg Hosp, Dept Pathol, Heidelberg, Germany.
[Keller, Marius] Univ Heidelberg Hosp, Dept Cardiol, Heidelberg, Germany.
[Koschny, Thomas] US DOE, Ames Lab, Ames, IA 50011 USA.
[Koschny, Thomas] Iowa State Univ, Dept Phys & Astron, Ames, IA USA.
[Walczak, Henning] UCL Canc Inst, Ctr Cell Death Canc & Inflammat CCCI, London, England.
[Bruckner, Thomas] Heidelberg Univ, Inst Med Biometry & Informat, Heidelberg, Germany.
RP Koschny, R (reprint author), Dept Internal Med, Neuenheimer Feld 410, D-69120 Heidelberg, Germany.
EM ronald.koschny@med.uni-heidelberg.de
NR 33
TC 2
Z9 2
U1 0
U2 1
PU ELSEVIER GMBH, URBAN & FISCHER VERLAG
PI JENA
PA OFFICE JENA, P O BOX 100537, 07705 JENA, GERMANY
SN 0344-0338
J9 PATHOL RES PRACT
JI Pathol. Res. Pract.
PY 2015
VL 211
IS 2
BP 109
EP 116
DI 10.1016/j.prp.2014.11.002
PG 8
WC Pathology
SC Pathology
GA CD5GU
UT WOS:000351116800002
PM 25481563
ER
PT J
AU Chang, WB
Russ, B
Ho, V
Urban, JJ
Segalman, RA
AF Chang, W. B.
Russ, B.
Ho, V.
Urban, J. J.
Segalman, R. A.
TI Gold nanocrystal arrays as a macroscopic platform for molecular junction
thermoelectrics
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID VAPOR-SENSING PROPERTIES; CHARGE-TRANSPORT; METAL NANOPARTICLES; CONTACT
RESISTANCE; THERMAL TRANSPORT; LENGTH DEPENDENCE; SURFACE-CHEMISTRY;
CONDUCTIVITY; CONDUCTANCE; FILMS
AB Efficiencies of bulk thermoelectric systems have been limited because the Seebeck coefficient and electrical conductivity are typically inversely correlated in traditional materials. Decoupling of these properties has been demonstrated in molecular junctions by capitalizing on the unique electronic transport at organic-inorganic interfaces. In this work, the thermoelectric properties of gold nanocrystal arrays with varying thiol-terminated ligands are compared to molecular junction experiments. The experimental results and supporting theory demonstrate that gold nanocrystal arrays are a valuable model system for mapping the applicability of molecular junction design rules to the design of macroscale organic-inorganic hybrid thermoelectric materials.
C1 [Chang, W. B.; Segalman, R. A.] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93117 USA.
[Russ, B.; Urban, J. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Ho, V.] Univ Calif Berkeley, Dept Biomol & Chem Engn, Berkeley, CA 94720 USA.
RP Segalman, RA (reprint author), Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93117 USA.
EM segalman@engineering.ucsb.edu
RI Foundry, Molecular/G-9968-2014
FU AFOSR MURI [FA9550-12-1-0002]; Molecular Foundry, Office of Science,
Office of Basic Energy Sciences, at the U.S. Department of Energy (DOE)
[DE-AC02-05CH11231]; Department of Defense, AFOSR under the National
Defense Science and Engineering Graduate Fellowship (DOD-NDSEG)
[FA9550-11-C-0028, 32 CFR 168a]
FX This work was supported by AFOSR MURI FA9550-12-1-0002. J.U.
acknowledges support from the Molecular Foundry, Office of Science,
Office of Basic Energy Sciences, at the U.S. Department of Energy (DOE),
Contract No. DE-AC02-05CH11231. B.R. gratefully acknowledges the
Department of Defense, AFOSR, for fellowship support under the National
Defense Science and Engineering Graduate Fellowship (DOD-NDSEG), 32 CFR
168a under contract FA9550-11-C-0028.
NR 28
TC 3
Z9 3
U1 1
U2 15
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 2015
VL 17
IS 9
BP 6207
EP 6211
DI 10.1039/c4cp04465g
PG 5
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA CD9RH
UT WOS:000351435300004
PM 25652423
ER
PT J
AU Lei, Y
Liu, B
Lu, JL
Lin, X
Gao, L
Guisinger, NP
Greeley, JP
Elam, JW
AF Lei, Yu
Liu, Bin
Lu, Junling
Lin, Xiao
Gao, Li
Guisinger, Nathan P.
Greeley, Jeffrey P.
Elam, Jeffrey W.
TI Synthesis of palladium nanoparticles on TiO2(110) using a
beta-diketonate precursor
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID ATOMIC LAYER DEPOSITION; REFLECTION-ABSORPTION SPECTROSCOPY;
TEMPERATURE-PROGRAMMED DESORPTION; SCANNING-TUNNELING-MICROSCOPY;
AUGMENTED-WAVE METHOD; SURFACE-CHEMISTRY; MO(110) SURFACE; PD ATOMS;
ADSORPTION; NUCLEATION
AB The adsorption of palladium hexafluoracetylacetone (Pd(hfac)(2)) and nucleation of Pd nanoparticles on TiO2(110) surface were observed using scanning tunneling microscopy (STM). Surface species of Pd(hfac)* and Ti(hfac)* uniformly adsorbed on TiO2(110) upon exposure of Pd(hfac)(2). No preferential nucleation was observed for the surface species. Atomic resolution STM images revealed that both Pd(hfac)* and Ti(hfac)* appeared on the metastable Ti(5c) sites. After annealing at 700 K, sub-nm Pd nanoparticles were observed across the TiO2(110) without preferential nucleation. The adsorption preferences of Pd(hfac), hfac, and atomic Pd on TiO2(110) surface were studied using density functional theory (DFT), and possible decomposition pathways of Pd(hfac) 2 leading to the formation of Pd nucleation sites were presented.
C1 [Lei, Yu; Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, Lemont, IL 60439 USA.
[Lei, Yu] Univ Alabama, Dept Chem & Mat Engn, Huntsville, AL 35899 USA.
[Liu, Bin] Kansas State Univ, Dept Chem Engn, Manhattan, KS 66506 USA.
[Lu, Junling] Univ Sci & Technol China, Dept Chem Phys, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Peoples R China.
[Lu, Junling] Univ Sci & Technol China, CAS Key Lab Mat Energy Convers, Hefei 230026, Peoples R China.
[Lin, Xiao] Chinese Acad Sci, Univ Chinese Acad Sci, Beijing 100049, Peoples R China.
[Lin, Xiao] Chinese Acad Sci, Inst Phys, Beijing 100049, Peoples R China.
[Gao, Li] Calif State Univ Northridge, Dept Phys & Astron, Northridge, CA 91330 USA.
[Guisinger, Nathan P.] Argonne Natl Lab, Ctr Nanoscale Mat, Lemont, IL 60439 USA.
[Greeley, Jeffrey P.] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA.
RP Lei, Y (reprint author), Argonne Natl Lab, Div Energy Syst, Lemont, IL 60439 USA.
EM yu.lei@uah.edu; jelam@anl.gov
RI Lin, Xiao/B-5055-2009; Lu, Junling/F-3791-2010; Liu, Bin/C-1475-2012;
OI Lu, Junling/0000-0002-7371-8414; Lei, Yu/0000-0002-4161-5568
FU Institute for Atom-efficient Chemical Transformations (IACT), an Energy
Frontier Research Center - U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences; U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; EMSL, a
national scientific user facility located at Pacific Northwest National
Laboratory; NERSC, the user facility located at Lawrence Berkeley
National Laboratory; Argonne Laboratory Computing Resource Center (LCRC)
FX This material is based upon work supported as part of the Institute for
Atom-efficient Chemical Transformations (IACT), an Energy Frontier
Research Center funded by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences. Use of the Center for
Nanoscale Materials was supported by the U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences, under Contract No.
DE-AC02-06CH11357 and user proposal CNM 24735. The authors acknowledge
grants of computer time from EMSL, a national scientific user facility
located at Pacific Northwest National Laboratory, NERSC, the user
facility located at Lawrence Berkeley National Laboratory and the
Argonne Laboratory Computing Resource Center (LCRC). We thank Zhu Liang
at University of Illinois at Chicago and Bing Yang at Argonne National
Laboratory for the discussions.
NR 53
TC 2
Z9 2
U1 1
U2 31
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 2015
VL 17
IS 9
BP 6470
EP 6477
DI 10.1039/c4cp05761a
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA CD9RH
UT WOS:000351435300035
PM 25657070
ER
PT J
AU Saha, D
Moken, T
Chen, JH
Hensley, DK
Delaney, K
Hunt, MA
Nelson, K
Spurri, A
Benham, L
Brice, R
Azoro, M
AF Saha, Dipendu
Moken, Tara
Chen, Jihua
Hensley, Dale K.
Delaney, Kristen
Hunt, Marcus A.
Nelson, Karl
Spurri, Amada
Benham, Lauren
Brice, Robin
Azoro, Martina
TI Micro-/mesoporous carbons for controlled release of antipyrine and
indomethacin
SO RSC ADVANCES
LA English
DT Article
ID MESOPOROUS SILICA NANOPARTICLES; CONTROLLED DRUG-DELIVERY; WATER-SOLUBLE
DRUG; IN-VITRO; SYSTEM; CHITOSAN; PH; MICROPARTICLES; PARTICLES; CARRIER
AB We have demonstrated the potential of meso-and microporous carbons in controlled release applications and targeted oral drug delivery. We have employed two mesoporous and two microporous carbons for the sustained release of one water-soluble drug (antipyrine) and one water-insoluble drug (indomethacin), using these as models to examine the controlled release characteristics. The micro-/mesoporous carbons were characterized as having a BET surface area of 372-2251 m(2) g(-1) and pore volume 0.63-1.03 cm(3) g(-1). The toxicity studies with E. coli bacterial cells did not reveal significant toxicity, which is in accordance with our previous studies on human cells with similar materials. Mucin adsorption tests with type III pork mucin demonstrated 20-30% mucin adsorption by the carbon samples and higher mucin adsorption could be attributed to higher surface area and more oxygen functionalities. Antipyrine and indomethacin loading was 6-78% in these micro-/mesoporous carbons. The signatures in thermogravimetric studies revealed the presence of drug molecules within the porous moieties of the carbon. The partial shifting of the decomposition peak of the drug adsorbed within the carbon pores was caused by the confinement of drug molecules within the narrow pore space of the carbon. The release profiles of both drugs were examined in simulated gastric fluid (pH = 1.2) and in three other release media with respective pH values of 4.5, 6.8 and 7.4, along with varying residence times to simulate the physiological conditions of the stomach, duodenum, small intestine and colon, respectively. All the release profiles manifested diffusion controlled sustained release that corroborates the effective role of micro-/mesoporous carbons as potential drug carriers.
C1 [Saha, Dipendu; Moken, Tara; Nelson, Karl; Spurri, Amada; Benham, Lauren] Widener Univ, Dept Chem Engn, Chester, PA 19013 USA.
[Chen, Jihua; Hensley, Dale K.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Delaney, Kristen; Hunt, Marcus A.; Brice, Robin; Azoro, Martina] Fayetteville State Univ, Dept Biol Sci, Fayetteville, NC 28301 USA.
RP Saha, D (reprint author), Widener Univ, Dept Chem Engn, Chester, PA 19013 USA.
EM dsaha@mail.widener.edu
RI Chen, Jihua/F-1417-2011; Hensley, Dale/A-6282-2016
OI Chen, Jihua/0000-0001-6879-5936; Hensley, Dale/0000-0001-8763-7765
FU School of Engineering of Widener University
FX TEM (J.C.) and SEM (D.K.H.) experiments were conducted at the Center for
Nanophase Materials Sciences, Oak Ridge National Laboratory, which is a
DOE Office of Science User Facility. D.S. acknowledges the faculty
development award and provost grant from the School of Engineering of
Widener University.
NR 36
TC 5
Z9 5
U1 3
U2 23
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2015
VL 5
IS 30
BP 23699
EP 23707
DI 10.1039/c5ra00251f
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA CD6YD
UT WOS:000351235800069
ER
PT J
AU Wu, HC
Kessler, MR
AF Wu, Hongchao
Kessler, Michael R.
TI Asphaltene: structural characterization, molecular functionalization,
and application as a low-cost filler in epoxy composites
SO RSC ADVANCES
LA English
DT Article
ID NUCLEAR-MAGNETIC-RESONANCE; BORON-NITRIDE; CRUDE OILS; NANOCOMPOSITES;
SPECTROSCOPY; MORPHOLOGY; POLYMERS; BEHAVIOR; BITUMEN; SURFACE
AB Asphaltene obtained by extraction from asphalt was investigated by different analytical techniques in order to characterize its composition, molecular structure and morphology. Then, the asphaltene molecules were successfully functionalized by 3-glycidyloxypropyltrimethoxysilane and 3-aminopropyltriethoxysilane as confirmed by thermogravimetric analysis, X-ray photoelectron spectroscopy, and Fourier transform infrared spectroscopy. Finally, asphaltene/epoxy composites at four different loading levels were prepared and their thermo-mechanical properties were examined. The thermal analysis results indicated that asphaltene as a novel reinforcing filler in epoxy resin caused a significant increase in storage modulus of both glassy and rubbery regions, slightly increased the glass transition temperature without negatively affecting thermal stability, and reduced the overall cost of the material.
C1 [Wu, Hongchao; Kessler, Michael R.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
[Kessler, Michael R.] US DOE, Ames Lab, Ames, IA 50011 USA.
[Kessler, Michael R.] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.
RP Kessler, MR (reprint author), Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
EM MichaelR.Kessler@wsu.edu
RI Kessler, Michael/C-3153-2008; Wu, Hongchao/D-4808-2016
OI Kessler, Michael/0000-0001-8436-3447; Wu, Hongchao/0000-0002-0195-8398
FU Honeywell Federal Manufacturing & Technologies, LLC
FX The authors acknowledge funding for this project from Honeywell Federal
Manufacturing & Technologies, LLC. The authors also acknowledge Dr James
Anderegg (Ames Laboratory) for his assistance with XPS measurements and
Dr Steve Veysey (Department of Chemistry, Iowa State University) for his
assistance with the elemental analysis.
NR 43
TC 4
Z9 4
U1 7
U2 23
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2015
VL 5
IS 31
BP 24264
EP 24273
DI 10.1039/c5ra00509d
PG 10
WC Chemistry, Multidisciplinary
SC Chemistry
GA CD6YH
UT WOS:000351236300035
ER
PT J
AU Gillen, KT
Bernstein, R
Celina, M
AF Gillen, K. T.
Bernstein, R.
Celina, M.
TI CHALLENGES OF ACCELERATED AGING TECHNIQUES FOR ELASTOMER LIFETIME
PREDICTIONS
SO RUBBER CHEMISTRY AND TECHNOLOGY
LA English
DT Article
ID DIFFUSION-LIMITED OXIDATION; NON-ARRHENIUS BEHAVIOR; LOW-DOSE RATE;
THERMAL-OXIDATION; THEORETICAL-MODEL; TIME DEVELOPMENT; DEGRADATION;
POLYETHYLENE; TEMPERATURES; PROFILES
AB Elastomers are often degraded when exposed to air or high humidity for extended times (years to decades). Lifetime estimates normally involve extrapolating accelerated aging results made at higher than ambient environments. Several potential problems associated with such studies are reviewed, and experimental and theoretical methods to address them are provided. The importance of verifying time temperature superposition of degradation data is emphasized as evidence that the overall nature of the degradation process remains unchanged versus acceleration temperature. The confounding effects that occur when diffusion-limited oxidation (DLO) contributes under accelerated conditions are described, and it is shown that the DLO magnitude can be modeled by measurements or estimates of the oxygen permeability coefficient (P-Ox) and oxygen consumption rate (4)). P-Ox and phi measurements can be influenced by DLO, and it is demonstrated how confident values can be derived. In addition, several experimental profiling techniques that screen for DLO effects are discussed. Values of phi taken from high temperature to temperatures approaching ambient can be used to more confidently extrapolate accelerated aging results for air-aged materials, and many studies now show that Arrhenius extrapolations bend to lower activation energies as aging temperatures are lowered. Best approaches for accelerated aging extrapolations of humidity-exposed materials are also offered.
C1 [Gillen, K. T.; Bernstein, R.; Celina, M.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Gillen, KT (reprint author), Sandia Natl Labs, Box 5800, Albuquerque, NM 87185 USA.
EM dandkgillen@comcast.net
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 36
TC 0
Z9 0
U1 8
U2 29
PU AMER CHEMICAL SOC INC
PI AKRON
PA RUBBER DIV UNIV AKRON PO BOX 499, AKRON, OH 44309-0499 USA
SN 0035-9475
EI 1943-4804
J9 RUBBER CHEM TECHNOL
JI Rubber Chem. Technol.
PD JAN-MAR
PY 2015
VL 88
IS 1
BP 1
EP 27
DI 10.5254/rct.14.85930
PG 27
WC Polymer Science
SC Polymer Science
GA CE2MD
UT WOS:000351648800001
ER
PT J
AU Liu, AJ
Grest, GS
Marchetti, MC
Grason, GM
Robbins, MO
Fredrickson, GH
Rubinstein, M
de la Cruz, MO
AF Liu, Andrea J.
Grest, Gary S.
Marchetti, M. Cristina
Grason, Gregory M.
Robbins, Mark O.
Fredrickson, Glenn H.
Rubinstein, Michael
de la Cruz, Monica Olvera
TI Opportunities in theoretical and computational polymeric materials and
soft matter
SO SOFT MATTER
LA English
DT Article
AB Soft materials are abundant in nature and ubiquitous in living systems. Elucidating their multi-faceted properties and underlying mechanisms is not only theoretically challenging and important in its own right, but also serves as the foundation for new materials and applications that will have wide-ranging impact on technology and the national economy. Recent initiatives in computation and data-driven materials discovery, such as the Materials Genome Initiative and the National Science Foundation Designing Materials to Revolutionize and Engineer our Future (NSF-DMREF) program, recognize and highlight the many future opportunities in the field. Building upon similar past efforts, a workshop was held at the University of California, Santa Barbara in October 2013 to specifically identify the central challenges and opportunities in theoretical and computational studies of polymeric as well as non-polymeric soft materials. This article presents a summary of the main findings of the workshop.
C1 [Liu, Andrea J.] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19014 USA.
[Grest, Gary S.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA.
[Marchetti, M. Cristina] Syracuse Univ, Dept Phys, Syracuse, NY 13244 USA.
[Marchetti, M. Cristina] Syracuse Univ, Syracuse Biomat Inst, Syracuse, NY 13244 USA.
[Grason, Gregory M.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA.
[Robbins, Mark O.] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA.
[Fredrickson, Glenn H.] Univ Calif Santa Barbara, Dept Chem Engn, Santa Barbara, CA 93106 USA.
[Fredrickson, Glenn H.] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA.
[Fredrickson, Glenn H.] Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA.
[Rubinstein, Michael] Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA.
[de la Cruz, Monica Olvera] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA.
RP Rubinstein, M (reprint author), Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA.
FU NSF
FX This article summarizes the report that can be downloaded at
http://www.nsfreport.polymericso.materials.northwestern.edu/final_report
.pdf, which is the result of hard work by all workshop participants, and
we would like to thank them for their cooperation and wisdom during the
two and a half days of the workshop. We are especially grateful to Drs.
Mark Bowick, Alexander Grosberg, Sanat Kumar, Sharon Glotzer, Fred
MacKintosh, Murugappan Muthukumar, Kenneth Shull, Dvora Perahia and
Thomas Witten who made an extra effort to write summaries of the
discussions of the working groups and to edit the corresponding parts of
the report, and to Ting Ge for designing the cover of the report. We
thank William Kung at the NU-MRSEC for input in the organization and
editing of both the article and the report and to Sara Bard and Naomi
Recania of UCSB for their superb local orchestration of the workshop.
Finally, we would like to thank NSF for funding the workshop and CMMT
Program directors Drs. Daryl Hess and Andrey Dobrynin for their support
and assistance throughout the whole process.
NR 5
TC 7
Z9 7
U1 9
U2 74
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 2015
VL 11
IS 12
BP 2326
EP 2332
DI 10.1039/c4sm02344g
PG 7
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA CD9DC
UT WOS:000351396500001
PM 25711605
ER
PT J
AU Ingham, B
Erlangga, GD
Smialowska, A
Kirby, NM
Wang, C
Matia-Merino, L
Haverkamp, RG
Carr, AJ
AF Ingham, B.
Erlangga, G. D.
Smialowska, A.
Kirby, N. M.
Wang, C.
Matia-Merino, L.
Haverkamp, R. G.
Carr, A. J.
TI Solving the mystery of the internal structure of casein micelles
SO SOFT MATTER
LA English
DT Article
ID ANGLE NEUTRON-SCATTERING; X-RAY-SCATTERING; SUB-MICELLES; FILTRATION;
MODEL; MILK
AB The interpretation ofmilk X-ray and neutron scattering data in relation to the internal structure of the casein micelle is an ongoing debate. We performed resonant X-ray scattering measurements on liquid milk and conclusively identified key scattering features, namely those corresponding to the size of and the distance between colloidal calcium phosphate particles. An X-ray scattering feature commonly assigned to the particle size is instead due to protein inhomogeneities.
C1 [Ingham, B.] Callaghan Innovat, Lower Hutt 5040, New Zealand.
[Ingham, B.] Victoria Univ Wellington, MacDiarmid Inst Adv Mat & Nanotechnol, Wellington 6140, New Zealand.
[Erlangga, G. D.; Smialowska, A.; Matia-Merino, L.; Carr, A. J.] Massey Univ, Sch Food & Nutr, Palmerston North 4442, New Zealand.
[Kirby, N. M.] Australian Synchrotron, Clayton, Vic 3168, Australia.
[Wang, C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Haverkamp, R. G.] Massey Univ, Sch Engn & Adv Technol, Palmerston North 4442, New Zealand.
RP Ingham, B (reprint author), Callaghan Innovat, POB 31-310, Lower Hutt 5040, New Zealand.
EM bridget.ingham@callaghaninnovation.govt.nz; a.j.carr@massey.ac.nz
RI Haverkamp, Richard/H-1149-2012; Wang, Cheng/A-9815-2014; Carr,
Alistair/S-6016-2016
OI Haverkamp, Richard/0000-0002-3890-7105; Carr,
Alistair/0000-0003-4545-3014
FU New Zealand Ministry of Business, Innovation and Employment (MBIE)
[C08X1003]; Office of Science, Office of Basic Energy Sciences, of the
U.S. Department of Energy [DE-AC02-05CH11231]
FX This work was funded by the New Zealand Ministry of Business, Innovation
and Employment (MBIE) under contract C08X1003. Portions of this research
were undertaken on the SAXS/WAXS beamline at the Australian Synchrotron,
Victoria, Australia, and beamline 11.0.1 at the Advanced Light Source,
Berkeley. The Advanced Light Source is supported by the Director, Office
of Science, Office of Basic Energy Sciences, of the U.S. Department of
Energy under Contract no. DE-AC02-05CH11231.
NR 32
TC 7
Z9 7
U1 8
U2 53
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 2015
VL 11
IS 14
BP 2723
EP 2725
DI 10.1039/c5sm00153f
PG 3
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA CE3FK
UT WOS:000351711800002
PM 25711160
ER
PT J
AU Sun, Y
Tsuchiya, Y
Pyon, S
Tamegai, T
Zhang, C
Ozaki, T
Li, Q
AF Sun, Yue
Tsuchiya, Yuji
Pyon, Sunseng
Tamegai, Tsuyoshi
Zhang, Cheng
Ozaki, Toshinori
Li, Qiang
TI Magneto-optical characterizations of FeTe0.5Se0.5 thin films with
critical current density over 1 MA cm(-2)
SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY
LA English
DT Article
DE iron-based superconductors; thin film; Magneto-optical imaging
ID SINGLE-CRYSTAL; SUPERCONDUCTORS
AB We performed magneto-optical (MO) measurements on FeTe0.5Se0.5 thin films grown on LaAlO3 (LAO) and Yttria-stabilized zirconia (YSZ) single-crystalline substrates. These thin films show superconducting transition temperature T-c similar to 19 K, 4 K higher than the bulk sample. Typical roof-top patterns can be observed in the MO images of thin films grown on LAO and YSZ, from which a large and homogeneous critical current density J(c) over 1 x 10(6) A cm(-2) at 5 K was obtained. Magnetic flux penetration measurement reveals that the current is almost isotropically distributed in the two thin films. Compared with bulk crystals, FeTe0.5Se0.5 thin film demonstrates not only higher T-c, but also much larger J(c), which is attractive for applications.
C1 [Sun, Yue; Tsuchiya, Yuji; Pyon, Sunseng; Tamegai, Tsuyoshi] Univ Tokyo, Dept Appl Phys, Bunkyo Ku, Tokyo 1138656, Japan.
[Zhang, Cheng; Ozaki, Toshinori; Li, Qiang] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
RP Sun, Y (reprint author), Univ Tokyo, Dept Appl Phys, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1138656, Japan.
EM sunyue.seu@gmail.com
RI 悦, 孙/B-1373-2013; Zhang, Cheng/R-6593-2016
OI 悦, 孙/0000-0002-5189-5460; Zhang, Cheng/0000-0001-6531-4703
FU Japan Society for the Promotion of Science; Japan-China Bilateral Joint
Research Project of the Japan Society for the Promotion of Science; U.S.
Department of Energy, Office of Basic Energy Science, Materials Sciences
and Engineering Division [DEAC0298CH10886]
FX Yue Sun gratefully appreciates the support from the Japan Society for
the Promotion of Science. The work at the University of Tokyo was
supported by the Japan-China Bilateral Joint Research Project of the
Japan Society for the Promotion of Science. The work at Brookhaven
National Laboratory was supported by the U.S. Department of Energy,
Office of Basic Energy Science, Materials Sciences and Engineering
Division, under contract no. DEAC0298CH10886.
NR 31
TC 7
Z9 7
U1 3
U2 17
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0953-2048
EI 1361-6668
J9 SUPERCOND SCI TECH
JI Supercond. Sci. Technol.
PD JAN
PY 2015
VL 28
IS 1
AR 015010
DI 10.1088/0953-2048/28/1/015010
PG 6
WC Physics, Applied; Physics, Condensed Matter
SC Physics
GA CD3QJ
UT WOS:000350994100018
ER
PT J
AU Labios, LA
Weiss, CJ
Egbert, JD
Lense, S
Bullock, RM
Dougherty, WG
Kassel, WS
Mock, MT
AF Labios, Liezel A.
Weiss, Charles J.
Egbert, Jonathan D.
Lense, Sheri
Bullock, R. Morris
Dougherty, William G.
Kassel, W. Scott
Mock, Michael T.
TI Synthesis and Protonation Studies of Molybdenum(0) Bis(dinitrogen)
Complexes Supported by Diphosphine Ligands Containing Pendant Amines
SO ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
LA English
DT Article
DE Nitrogen fixation; Molybdenum; Diphosphine ligands; Dinitrogen complex;
Proton relay
ID DINITROGEN COMPLEXES; TUNGSTEN-DINITROGEN; NITROGEN-FIXATION; AMMONIA;
CHEMISTRY; IRON; COORDINATION; REDUCTION; MECHANISM; TETRAHYDROFURAN
AB A series of molybdenum bis(dinitrogen) complexes of the formula trans-[Mo(N-2)(2)((PNPEt)-N-Et-P-R)(2)] ((PNPEt)-N-Et-P-R = Et2PCH2N(R)CH2PEt2; R = phenyl (1), 2,6-difluorobenzyl (2), 3,5-difluorobenzyl (3), CH2CH2NMe2 (4), CH2-o-Py (5)] were synthesized and characterized by NMR and IR spectroscopy, and X-ray crystallography. Protonation studies with stoichiometric amounts of triflic acid (HOTf) were performed, and the protonated products were characterized by NMR and in situ IR spectroscopic methods. Products formed in the stepwise protonation reactions included, for example, a mixture of the seven-coordinate molybdenum bis(dinitrogen) hydride, trans-[Mo(H)(N-2)(2)((PNPEt)-N-Et-P-Ph)(2)](+) [H-1](+), and the Mo-hydrazido triflate complex, trans-[Mo(NNH2)(OTf)((PNPEt)-N-Et-P-Ph)(2)](+) [(1)(NNH2)](+). Complex 2, with more basic pendant amines, can be protonated up to three times, affording the highly-charged molecule, trans[Mo(H)(N-2)(2)((PN2,6-F2-Bn)-N-Et(H)P-Et)(2))](3+) [2H(PN(H)P)(2)](3+).
C1 [Labios, Liezel A.; Weiss, Charles J.; Egbert, Jonathan D.; Lense, Sheri; Bullock, R. Morris; Mock, Michael T.] Pacific NW Natl Lab, Ctr Mol Electrocatalysis, Div Phys Sci, Richland, WA 99352 USA.
[Dougherty, William G.; Kassel, W. Scott] Villanova Univ, Dept Chem, Villanova, PA 19085 USA.
RP Mock, MT (reprint author), Pacific NW Natl Lab, Ctr Mol Electrocatalysis, Div Phys Sci, POB 999, Richland, WA 99352 USA.
EM michael.mock@pnnl.gov
RI Bullock, R. Morris/L-6802-2016
OI Bullock, R. Morris/0000-0001-6306-4851
FU Center for Molecular Electrocatalysis, an Energy Frontier Research
Center - U.S. Department of Energy Office of Science, Office of Basic
Energy Sciences; DOE Office of Science, Early Career Research Program
through the Office of Basic Energy Sciences
FX This work was supported as part of the Center for Molecular
Electrocatalysis, an Energy Frontier Research Center funded by the U.S.
Department of Energy Office of Science, Office of Basic Energy Sciences.
S. L. was supported by the DOE Office of Science, Early Career Research
Program through the Office of Basic Energy Sciences. Pacific Northwest
National Laboratory is operated by Battelle for the DOE.
NR 53
TC 6
Z9 6
U1 2
U2 18
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY
SN 0044-2313
EI 1521-3749
J9 Z ANORG ALLG CHEM
JI Z. Anorg. Allg. Chem.
PD JAN
PY 2015
VL 641
IS 1
SI SI
BP 105
EP 117
DI 10.1002/zaac.201400119
PG 13
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA CD9TZ
UT WOS:000351442700017
ER
PT J
AU Cunsolo, A
AF Cunsolo, Alessandro
TI The THz Spectrum of Density Fluctuations of Water: The Viscoelastic
Regime
SO ADVANCES IN CONDENSED MATTER PHYSICS
LA English
DT Review
ID X-RAY-SCATTERING; WAVELENGTH COLLECTIVE EXCITATIONS; INELASTIC
NEUTRON-SCATTERING; LENNARD-JONES FLUIDS; SUPERCOOLED WATER; LIQUID
WATER; BRILLOUIN-SCATTERING; MOLECULAR-DYNAMICS; SOUND-VELOCITY;
STRUCTURAL RELAXATION
AB Relevant advances in the knowledge of the water dynamics at mesoscopic scales are reviewed, while mainly focusing on the contribution provided by high resolution inelastic X-ray scattering (IXS). In particular it is discussed how the use of IXS has improved our understanding of viscoelastic properties of water at THz frequencies. This specifically involves some solid-like features such as the onset of shear wave propagation, a sound velocity surprisingly similar to the one of ice, and an anomalously low sound absorption coefficient. All these properties can be explained by assuming the coupling of THz density fluctuations with a structural relaxation process connected to the breaking and forming of hydrogen bonds (HBs). This review also includes more recent IXS results demonstrating that, upon approaching supercritical conditions, relaxation phenomena in water gradually lose their structural character becoming essentially collisional in character. Furthermore, GHz spectroscopy results on supercooled water, suggesting the occurrence of a structural arrest, are discussed. An overview of the new opportunities offered by next generation IXS spectrometers finally concludes this review.
C1 Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
RP Cunsolo, A (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, POB 5000, Upton, NY 11973 USA.
EM acunsolo@bnl.gov
NR 115
TC 2
Z9 2
U1 4
U2 31
PU HINDAWI PUBLISHING CORP
PI NEW YORK
PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA
SN 1687-8108
EI 1687-8124
J9 ADV COND MATTER PHYS
JI Adv. Condens. Matter Phys.
PY 2015
AR 137435
DI 10.1155/2015/137435
PG 24
WC Physics, Condensed Matter
SC Physics
GA CD4PD
UT WOS:000351064800001
ER
PT S
AU Bauer, ED
Thompson, JD
AF Bauer, E. D.
Thompson, J. D.
BE Langer, JS
TI Plutonium-Based Heavy-Fermion Systems
SO ANNUAL REVIEW OF CONDENSED MATTER PHYSICS, VOL 6
SE Annual Review of Condensed Matter Physics
LA English
DT Review; Book Chapter
DE Kondo effect; mixed valence; hybridization; unconventional
superconductivity; magnetism; spin fluctuations; charge fluctuations;
quasiparticles
ID SINGLE-CRYSTAL GROWTH; UNCONVENTIONAL SUPERCONDUCTIVITY; UNIVERSAL
RELATIONSHIP; MAGNETIC-RESONANCE; ELECTRON SYSTEMS; ACTINIDE METALS; 5F
ORBITALS; SPECTROSCOPY; STATES; INTERMETALLICS
AB An effective mass of charge carriers that is significantly larger than the mass of a free electron develops at low temperatures in certain lanthanide- and actinide-based metals, including those formed with plutonium, owing to strong electron-electron interactions. This heavy-fermion mass is reflected in a substantially enhanced electronic coefficient of specific heat gamma, which for elemental Pu is much larger than that of normal metals. By our definition, there are twelve Pu-based heavy-fermion compounds, most discovered recently, whose basic properties are known and discussed. Relative to other examples, these Pu-based heavy-fermion systems are particularly complex owing in part to the possible simultaneous presence of multiple, nearly degenerate 5f(n) configurations. This complexity poses significant opportunities as well as challenges, including understanding the origin of unconventional superconductivity in some of these materials.
C1 [Bauer, E. D.; Thompson, J. D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Thompson, JD (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM edbauer@lanl.gov; jdt@lanl.gov
OI Bauer, Eric/0000-0003-0017-1937
NR 74
TC 3
Z9 3
U1 6
U2 20
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 1947-5454
BN 978-0-8243-5006-2
J9 ANNU REV CONDEN MA P
JI Annu. Rev. Condens. Matter Phys.
PY 2015
VL 6
BP 137
EP 153
DI 10.1146/annurev-conmatphys-031214-014508
PG 17
WC Physics, Condensed Matter
SC Physics
GA BC2IQ
UT WOS:000350979900007
ER
PT J
AU Hess, P
Kinnison, D
Tang, Q
AF Hess, P.
Kinnison, D.
Tang, Q.
TI Ensemble simulations of the role of the stratosphere in the attribution
of northern extratropical tropospheric ozone variability
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID ATMOSPHERIC RESEARCH STATION; NINO SOUTHERN-OSCILLATION; LONG-TERM
CHANGES; MACE-HEAD; SURFACE OZONE; INTERANNUAL VARIABILITY; SEASONAL
VARIABILITY; MOZAIC PROGRAM; AIR-POLLUTION; CLIMATE
AB Despite the need to understand the impact of changes in emissions and climate on tropospheric ozone, the attribution of tropospheric interannual ozone variability to specific processes has proven difficult. Here, we analyze the stratospheric contribution to tropospheric ozone variability and trends from 1953 to 2005 in the Northern Hemisphere (NH) mid-latitudes using four ensemble simulations of the free running (FR) Whole Atmosphere Community Climate Model (WACCM). The simulations are externally forced with observed time-varying (1) sea-surface temperatures (SSTs), (2) greenhouse gases (GHGs), (3) ozone depleting substances (ODS), (4) quasi-biennial oscillation (QBO), (5) solar variability (SV) and (6) stratospheric sulfate surface area density (SAD). A detailed representation of stratospheric chemistry is simulated, including the ozone loss due to volcanic eruptions and polar stratospheric clouds. In the troposphere, ozone production is represented by CH4-NOx smog chemistry, where surface chemical emissions remain interannually constant. Despite the simplicity of its tropospheric chemistry, at many NH measurement locations, the interannual ozone variability in the FR WACCM simulations is significantly correlated with the measured interannual variability. This suggests the importance of the external forcing applied in these simulations in driving interannual ozone variability. The variability and trend in the simulated 1953-2005 tropospheric ozone from 30 to 90 degrees N at background surface measurement sites, 500 hPa measurement sites and in the area average are largely explained on interannual timescales by changes in the 30-90 degrees N area averaged flux of ozone across the 100 hPa surface and changes in tropospheric methane concentrations. The average sensitivity of tropospheric ozone to methane (percent change in ozone to a percent change in methane) from 30 to 90 degrees N is 0.17 at 500 hPa and 0.21 at the surface; the average sensitivity of tropospheric ozone to the 100 hPa ozone flux (percent change in ozone to a percent change in the ozone flux) from 30 to 90 degrees N is 0.19 at 500 hPa and 0.11 at the surface. The 30-90 degrees N simulated downward residual velocity at 100 hPa increased by 15% between 1953 and 2005. However, the impact of this on the 30-90 degrees N 100 hPa ozone flux is modulated by the long-term changes in stratospheric ozone. The ozone flux decreases from 1965 to 1990 due to stratospheric ozone depletion, but increases again by approximately 7% from 1990 to 2005. The first empirical orthogonal function of interannual ozone variability explains from 40% (at the surface) to over 80% (at 150 hPa) of the simulated ozone interannual variability from 30 to 90 degrees N. This identified mode of ozone variability shows strong stratosphere-troposphere coupling, demonstrating the importance of the stratosphere in an attribution of tropospheric ozone variability. The simulations, with no change in emissions, capture almost 50% of the measured ozone change during the 1990s at a variety of locations. This suggests that a large portion of the measured change is not due to changes in emissions, but can be traced to changes in large-scale modes of ozone variability. This emphasizes the difficulty in the attribution of ozone changes, and the importance of natural variability in understanding the trends and variability of ozone. We find little relation between the El Nino-Southern Oscillation (ENSO) index and large-scale tropospheric ozone variability over the long-term record.
C1 [Hess, P.] Cornell Univ, Dept Biol & Environm Engn, Ithaca, NY 14850 USA.
[Kinnison, D.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
[Tang, Q.] Lawrence Livermore Natl Lab, Livermore, CA USA.
RP Hess, P (reprint author), Cornell Univ, Dept Biol & Environm Engn, Ithaca, NY 14850 USA.
EM pgh25@cornell.edu
RI Tang, Qi/C-1032-2011; Hess, Peter/M-3145-2015
OI Hess, Peter/0000-0003-2439-3796
FU NSF [1042787]; US Department of Energy (DOE), Office of Science, Office
of Biological and Environmental Research by Lawrence Livermore National
Laboratory [DE-AC52-07NA27344]; Atmospheric Radiation Measurement
Program of the Office of Science at the US Department of Energy;
National Science Foundation; US Department of Energy
FX The authors would like to thank the reviewers for their helpful
comments. P. G. Hess would like to acknowledge NSF grant no. 1042787 for
supporting this work. Work at LLNL was performed under the auspices of
the US Department of Energy (DOE), Office of Science, Office of
Biological and Environmental Research by Lawrence Livermore National
Laboratory under contract DE-AC52-07NA27344 and supported by the
Atmospheric Radiation Measurement Program of the Office of Science at
the US Department of Energy. The CESM project is supported by the
National Science Foundation and the US Department of Energy. The
National Center for Atmospheric Research is operated by the University
Corporation for Atmospheric Research under sponsorship of the National
Science Foundation. We acknowledge the World Ozone and Ultraviolet
Radiation Data Centre (WOUDC) for providing the ozonesonde data, the US
National Park Service for providing Lassen NP ozone data, A. Volz-Thomas
for the Arkona data, and D. Parrish for providing access to his surface
composited ozone data sets.
NR 77
TC 7
Z9 7
U1 3
U2 13
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2015
VL 15
IS 5
BP 2341
EP 2365
DI 10.5194/acp-15-2341-2015
PG 25
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CC7PE
UT WOS:000350559700007
ER
PT J
AU Hiranuma, N
Augustin-Bauditz, S
Bingemer, H
Budke, C
Curtius, J
Danielczok, A
Diehl, K
Dreischmeier, K
Ebert, M
Frank, F
Hoffmann, N
Kandler, K
Kiselev, A
Koop, T
Leisner, T
Mohler, O
Nillius, B
Peckhaus, A
Rose, D
Weinbruch, S
Wex, H
Boose, Y
DeMott, PJ
Hader, JD
Hill, TCJ
Kanji, ZA
Kulkarni, G
Levin, EJT
McCluskey, CS
Murakami, M
Murray, BJ
Niedermeier, D
Petters, MD
O'Sullivan, D
Saito, A
Schill, GP
Tajiri, T
Tolbert, MA
Welti, A
Whale, TF
Wright, TP
Yamashita, K
AF Hiranuma, N.
Augustin-Bauditz, S.
Bingemer, H.
Budke, C.
Curtius, J.
Danielczok, A.
Diehl, K.
Dreischmeier, K.
Ebert, M.
Frank, F.
Hoffmann, N.
Kandler, K.
Kiselev, A.
Koop, T.
Leisner, T.
Moehler, O.
Nillius, B.
Peckhaus, A.
Rose, D.
Weinbruch, S.
Wex, H.
Boose, Y.
DeMott, P. J.
Hader, J. D.
Hill, T. C. J.
Kanji, Z. A.
Kulkarni, G.
Levin, E. J. T.
McCluskey, C. S.
Murakami, M.
Murray, B. J.
Niedermeier, D.
Petters, M. D.
O'Sullivan, D.
Saito, A.
Schill, G. P.
Tajiri, T.
Tolbert, M. A.
Welti, A.
Whale, T. F.
Wright, T. P.
Yamashita, K.
TI A comprehensive laboratory study on the immersion freezing behavior of
illite NX particles: a comparison of 17 ice nucleation measurement
techniques
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID MINERAL DUST AEROSOL; FLOW DIFFUSION CHAMBER; KAOLINITE PARTICLES;
DEPOSITION NUCLEATION; CRYSTAL NUCLEATION; HEMATITE PARTICLES; WATER
DROPLETS; WIND-TUNNEL; NUCLEI; MODE
AB Immersion freezing is the most relevant heterogeneous ice nucleation mechanism through which ice crystals are formed in mixed-phase clouds. In recent years, an increasing number of laboratory experiments utilizing a variety of instruments have examined immersion freezing activity of atmospherically relevant ice-nucleating particles. However, an intercomparison of these laboratory results is a difficult task because investigators have used different ice nucleation (IN) measurement methods to produce these results. A remaining challenge is to explore the sensitivity and accuracy of these techniques and to understand how the IN results are potentially influenced or biased by experimental parameters associated with these techniques.
Within the framework of INUIT (Ice Nuclei Research Unit), we distributed an illite-rich sample (illite NX) as a representative surrogate for atmospheric mineral dust particles to investigators to perform immersion freezing experiments using different IN measurement methods and to obtain IN data as a function of particle concentration, temperature (T), cooling rate and nucleation time. A total of 17 measurement methods were involved in the data intercomparison. Experiments with seven instruments started with the test sample pre-suspended in water before cooling, while 10 other instruments employed water vapor condensation onto dry-dispersed particles followed by immersion freezing. The resulting comprehensive immersion freezing data set was evaluated using the ice nucleation active surface-site density, n(s), to develop a representative n(s)(T) spectrum that spans a wide temperature range (-37 degrees C < T < -11 degrees C) and covers 9 orders of magnitude in n(s).
In general, the 17 immersion freezing measurement techniques deviate, within a range of about 8 degrees C in terms of temperature, by 3 orders of magnitude with respect to n(s). In addition, we show evidence that the immersion freezing efficiency expressed in n(s) of illite NX particles is relatively independent of droplet size, particle mass in suspension, particle size and cooling rate during freezing. A strong temperature dependence and weak time and size dependence of the immersion freezing efficiency of illite-rich clay mineral particles enabled the n(s) parameterization solely as a function of temperature. We also characterized the n(s)(T) spectra and identified a section with a steep slope between -20 and -27 degrees C, where a large fraction of active sites of our test dust may trigger immersion freezing. This slope was followed by a region with a gentler slope at temperatures below -27 degrees C. While the agreement between different instruments was reasonable below similar to -27 degrees C, there seemed to be a different trend in the temperature-dependent ice nucleation activity from the suspension and dry-dispersed particle measurements for this mineral dust, in particular at higher temperatures. For instance, the ice nucleation activity expressed in n(s) was smaller for the average of the wet suspended samples and higher for the average of the dry-dispersed aerosol samples between about -27 and -18 degrees C. Only instruments making measurements with wet suspended samples were able to measure ice nucleation above -18 degrees C. A possible explanation for the deviation between -27 and -18 degrees C is discussed. Multiple exponential distribution fits in both linear and log space for both specific surface area-based n(s)(T) and geometric surface area-based n(s)(T) are provided. These new fits, constrained by using identical reference samples, will help to compare IN measurement methods that are not included in the present study and IN data from future IN instruments.
C1 [Hiranuma, N.; Hoffmann, N.; Kiselev, A.; Leisner, T.; Moehler, O.; Peckhaus, A.] Karlsruhe Inst Technol, Inst Meteorol & Climate Res Atmospher Aerosol Res, D-76021 Karlsruhe, Germany.
[Augustin-Bauditz, S.; Wex, H.; Niedermeier, D.] Leibniz Inst Tropospher Res, Leipzig, Germany.
[Bingemer, H.; Curtius, J.; Danielczok, A.; Frank, F.; Nillius, B.; Rose, D.] Goethe Univ Frankfurt, Inst Atmospher & Environm Sci, D-60054 Frankfurt, Germany.
[Budke, C.; Dreischmeier, K.; Koop, T.] Univ Bielefeld, Fac Chem, Bielefeld, Germany.
[Diehl, K.] Johannes Gutenberg Univ Mainz, Inst Atmospher Phys, D-55122 Mainz, Germany.
[Ebert, M.; Kandler, K.; Weinbruch, S.] Tech Univ Darmstadt, Inst Appl Geosci, Darmstadt, Germany.
[Boose, Y.; Kanji, Z. A.; Welti, A.] ETH, Inst Atmosphere & Climate Sci, Zurich, Switzerland.
[DeMott, P. J.; Hill, T. C. J.; Levin, E. J. T.; McCluskey, C. S.] Colorado State Univ, Dept Atmospher Sci, Ft Collins, CO 80523 USA.
[Hader, J. D.; Petters, M. D.; Wright, T. P.] N Carolina State Univ, Dept Marine Earth & Atmospher Sci, Raleigh, NC 27695 USA.
[Kulkarni, G.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Murakami, M.; Saito, A.; Tajiri, T.; Yamashita, K.] Meteorol Res Inst, Tsukuba, Ibaraki 305, Japan.
[Murray, B. J.; O'Sullivan, D.; Whale, T. F.] Univ Leeds, Sch Earth & Environm, Inst Climate & Atmospher Sci, Leeds, W Yorkshire, England.
[Schill, G. P.; Tolbert, M. A.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA.
[Schill, G. P.; Tolbert, M. A.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
RP Hiranuma, N (reprint author), Karlsruhe Inst Technol, Inst Meteorol & Climate Res Atmospher Aerosol Res, D-76021 Karlsruhe, Germany.
EM seong.moon@kit.edu
RI Curtius, Joachim/A-2681-2011; Kiselev, Alexei/A-3036-2013; Koop,
Thomas/B-7861-2008; Murray, Benjamin/C-1219-2010; Levin,
Ezra/F-5809-2010; Weinbruch, Stephan/E-6141-2014; Hiranuma,
Naruki/D-3780-2014; DeMott, Paul/C-4389-2011; Schill,
Gregory/J-4031-2015; Petters, Markus/D-2144-2009; O'Sullivan,
Daniel/G-3884-2012; Mohler, Ottmar/J-9426-2012; Kandler,
Konrad/C-3467-2014; Leisner, Thomas/A-2391-2013;
OI Curtius, Joachim/0000-0003-3153-4630; Kiselev,
Alexei/0000-0003-0136-2428; Koop, Thomas/0000-0002-7571-3684; Murray,
Benjamin/0000-0002-8198-8131; Hiranuma, Naruki/0000-0001-7790-4807;
DeMott, Paul/0000-0002-3719-1889; Schill, Gregory/0000-0002-4084-0317;
Petters, Markus/0000-0002-4082-1693; O'Sullivan,
Daniel/0000-0002-6884-8046; Kanji, Zamin/0000-0001-8610-3921
FU Deutsche Forschungsgemeinschaft (DFG) within Research Unit FOR 1525
(INUIT) [BU 1432/4-1, DI 1539/1-1, KO2944/2-1, MO668/4-1, WE 4722/1-1];
Deutsche Forschungsgemeinschaft; Open Access Publishing Fund of
Karlsruhe Institute of Technology; Department of Energy (DOE)
Atmospheric System Research Program; DOE [DE-AC05-76RLO 1830]; Swiss
National Funds; NSF [AGS-1358495, AGS 1048536, AGS 1010851]; JSPS
KAKENHI [23244095]; Natural Environment Research Council [NE/K004417/1,
NE/I020059/1, NE/I013466/1, NE/I019057/1]; European Research Council
[240449 - ICE]; Alexander von Humboldt-foundation, Germany
FX Part of this work is funded by Deutsche Forschungsgemeinschaft (DFG)
under contracts BU 1432/4-1, DI 1539/1-1, KO2944/2-1, MO668/4-1 and WE
4722/1-1 within Research Unit FOR 1525 (INUIT). The authors acknowledge
partial financial support by Deutsche Forschungsgemeinschaft and Open
Access Publishing Fund of Karlsruhe Institute of Technology. The authors
gratefully acknowledge skillful and continuous support from their
technical teams. G. Kulkarni acknowledges support from the Department of
Energy (DOE) Atmospheric System Research Program and thanks J. Fast for
useful discussion. Battelle Memorial Institute operates the Pacific
Northwest National Laboratory for DOE under contract DE-AC05-76RLO 1830.
Z. A. Kanji acknowledges funding from Swiss National Funds. P. J. DeMott
and T. Hill were funded by NSF grant award number AGS-1358495. M. A.
Tolbert and G. P. Schill were funded by NSF Grant AGS 1048536. The
MRI-DCECC work was partly funded by JSPS KAKENHI Grant Numbers 23244095.
T. P. Wright, J. D. Hader, and M. D. Petters were funded by NSF Grant
AGS 1010851. B. J. Murray, D. O'Sullivan and T. F. Whale acknowledge the
Natural Environment Research Council (NE/K004417/1; NE/I020059/1;
NE/I013466/1; NE/I019057/1) and The European Research Council (240449 -
ICE) for funding. D. Niedermeier acknowledges financial support from the
Alexander von Humboldt-foundation, Germany.
NR 105
TC 37
Z9 37
U1 9
U2 65
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2015
VL 15
IS 5
BP 2489
EP 2518
DI 10.5194/acp-15-2489-2015
PG 30
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CC7PE
UT WOS:000350559700016
ER
PT J
AU Ahn, MH
Han, D
Won, HY
Morris, V
AF Ahn, M. -H.
Han, D.
Won, H. Y.
Morris, V.
TI A cloud detection algorithm using the downwelling infrared radiance
measured by an infrared pyrometer of the ground-based microwave
radiometer
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID SOUTHERN GREAT-PLAINS; LIQUID WATER PATH; RADIATION; VAPOR; TEMPERATURE;
SKIES; CLEAR; SKY; RETRIEVAL; EQUATIONS
AB For better utilization of the ground-based microwave radiometer, it is important to detect the cloud presence in the measured data. Here, we introduce a simple and fast cloud detection algorithm by using the optical characteristics of the clouds in the infrared atmospheric window region. The new algorithm utilizes the brightness temperature (Tb) measured by an infrared radiometer installed on top of a microwave radiometer. The two-step algorithm consists of a spectral test followed by a temporal test. The measured Tb is first compared with a predicted clear-sky Tb obtained by an empirical formula as a function of surface air temperature and water vapor pressure. For the temporal test, the temporal variability of the measured Tb during one minute compares with a dynamic threshold value, representing the variability of clear-sky conditions. It is designated as cloudfree data only when both the spectral and temporal tests confirm cloud-free data. Overall, most of the thick and uniform clouds are successfully detected by the spectral test, while the broken and fast-varying clouds are detected by the temporal test. The algorithm is validated by comparison with the collocated ceilometer data for six months, from January to June 2013. The overall proportion of correctness is about 88.3% and the probability of detection is 90.8 %, which are comparable with or better than those of previous similar approaches. Two thirds of discrepancies occur when the new algorithm detects clouds while the ceilometer does not, resulting in different values of the probability of detection with different cloud-base altitude, 93.8, 90.3, and 82.8% for low, mid, and high clouds, respectively. Finally, due to the characteristics of the spectral range, the new algorithm is found to be insensitive to the presence of inversion layers.
C1 [Ahn, M. -H.; Han, D.; Won, H. Y.] Ewha Womans Univ, Dept Atmospher Sci & Engn, Seoul, South Korea.
[Morris, V.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Ahn, MH (reprint author), Ewha Womans Univ, Dept Atmospher Sci & Engn, Ewha Yeodae Gil 52, Seoul, South Korea.
EM terryahn65@ewha.ac.kr
FU National Institute of Meteorological Research (NIMR) [NIMR-2012-B-1]
FX This work is supported by the "Development and application of technology
for weather forecasting (NIMR-2012-B-1)" of the National Institute of
Meteorological Research (NIMR). The authors are grateful to the KMA for
providing the radiometer, ceilometer, and ground observation data.
NR 36
TC 2
Z9 2
U1 2
U2 7
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1867-1381
EI 1867-8548
J9 ATMOS MEAS TECH
JI Atmos. Meas. Tech.
PY 2015
VL 8
IS 2
BP 553
EP 566
DI 10.5194/amt-8-553-2015
PG 14
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CC7OR
UT WOS:000350558300003
ER
PT J
AU Lundquist, JK
Churchfield, MJ
Lee, S
Clifton, A
AF Lundquist, J. K.
Churchfield, M. J.
Lee, S.
Clifton, A.
TI Quantifying error of lidar and sodar Doppler beam swinging measurements
of wind turbine wakes using computational fluid dynamics
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID COMPLEX TERRAIN; TURBULENCE; FLOW
AB Wind-profiling lidars are now regularly used in boundary-layer meteorology and in applications such as wind energy and air quality. Lidar wind profilers exploit the Doppler shift of laser light backscattered from particulates carried by the wind to measure a line-of-sight (LOS) velocity. The Doppler beam swinging (DBS) technique, used by many commercial systems, considers measurements of this LOS velocity in multiple radial directions in order to estimate horizontal and vertical winds. The method relies on the assumption of homogeneous flow across the region sampled by the beams. Using such a system in inhomogeneous flow, such as wind turbine wakes or complex terrain, will result in errors.
To quantify the errors expected from such violation of the assumption of horizontal homogeneity, we simulate inhomogeneous flow in the atmospheric boundary layer, notably stably stratified flow past a wind turbine, with a mean wind speed of 6.5 m s(-1) at the turbine hub-height of 80 m. This slightly stable case results in 15 degrees of wind direction change across the turbine rotor disk. The resulting flow field is sampled in the same fashion that a lidar samples the atmosphere with the DBS approach, including the lidar range weighting function, enabling quantification of the error in the DBS observations. The observations from the instruments located upwind have small errors, which are ameliorated with time averaging. However, the downwind observations, particularly within the first two rotor diameters downwind from the wind turbine, suffer from errors due to the heterogeneity of the wind turbine wake. Errors in the stream-wise component of the flow approach 30% of the hub-height inflow wind speed close to the rotor disk. Errors in the cross-stream and vertical velocity components are also significant: cross-stream component errors are on the order of 15% of the hub-height inflow wind speed (1.0 m s(-1) /and errors in the vertical velocity measurement exceed the actual vertical velocity. By three rotor diameters downwind, DBS-based assessments of wake wind speed deficits based on the stream-wise velocity can be relied on even within the near wake within 1.0 m s(-1) (or 15% of the hub-height inflow wind speed), and the cross-stream velocity error is reduced to 8% while vertical velocity estimates are compromised. Measurements of inhomogeneous flow such as wind turbine wakes are susceptible to these errors, and interpretations of field observations should account for this uncertainty.
C1 [Lundquist, J. K.] Univ Colorado, Dept Atmospher & Ocean Sci, Boulder, CO 80309 USA.
[Lundquist, J. K.; Churchfield, M. J.; Lee, S.; Clifton, A.] Natl Renewable Energy Lab, Golden, CO USA.
RP Lundquist, JK (reprint author), Univ Colorado, Dept Atmospher & Ocean Sci, Boulder, CO 80309 USA.
EM julie.lundquist@colorado.edu
OI Clifton, Andrew/0000-0001-9698-5083
FU US Department of Energy (DOE) [DE-AC36-08GO28308]; National Renewable
Energy Laboratory; DOE Office of Energy Efficiency and Renewable Energy,
Wind and Water Power Technologies Office; DOE's Office of Energy
Efficiency and Renewable Energy
FX This work was supported by the US Department of Energy (DOE) under
Contract No. DE-AC36-08GO28308 with the National Renewable Energy
Laboratory. The DOE Office of Energy Efficiency and Renewable Energy,
Wind and Water Power Technologies Office provided funding for the work.
The authors express appreciation to Branko Kosovic, three anonymous
reviewers, and Valerie Kumer for helpful comments on the manuscript. The
simulations were performed using computational resources sponsored by
DOE's Office of Energy Efficiency and Renewable Energy and located at
the National Renewable Energy Laboratory.
NR 55
TC 13
Z9 13
U1 0
U2 14
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1867-1381
EI 1867-8548
J9 ATMOS MEAS TECH
JI Atmos. Meas. Tech.
PY 2015
VL 8
IS 2
BP 907
EP 920
DI 10.5194/amt-8-907-2015
PG 14
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CC7OR
UT WOS:000350558300026
ER
PT J
AU Murphy, LJ
Robertson, KN
Kemp, RA
Tuononen, HM
Clyburne, JAC
AF Murphy, Luke J.
Robertson, Katherine N.
Kemp, Richard A.
Tuononen, Heikki M.
Clyburne, Jason A. C.
TI Structurally simple complexes of CO2
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID FRUSTRATED LEWIS PAIRS; CARBON-DIOXIDE COMPLEX; N-HETEROCYCLIC CARBENES;
ANION PHOTOELECTRON-SPECTROSCOPY; METAL-ORGANIC FRAMEWORK;
CRYSTAL-STRUCTURES; IONIC LIQUIDS; X-RAY; COORDINATION CHEMISTRY;
GAS-PHASE
AB The ability to bind CO2 through the formation of low-energy, easily-broken, bonds could prove invaluable in a variety of chemical contexts. For example, weak bonds to CO2 would greatly decrease the cost of the energy-intensive sorbent-regeneration step common to most carbon capture technologies. Furthermore, exploration of this field could lead to the discovery of novel CO2 chemistry. Reduction of complexed carbon dioxide might generate chemical feedstocks for the preparation of value-added products, particularly transportation fuels or fuel precursors. Implementation on a large scale could help to drastically reduce CO2 concentrations in the atmosphere. However, literature examples of weakly bonded complexes of CO2 are relatively few and true coordination complexes to a 'naked' CO2 fragment are nearly unheard of. In this review article, a variety of complexes of CO2 featuring diverse binding modes and reactivity will be examined. Topics covered include: (A) inclusion complexes of CO2 in porous materials. (B) Zwitterionic carbamates produced from the reaction of CO2 with polyamines. (C) Carbamate salts produced from reaction of CO2 with two equivalents of an amine. (D) Insertion products of CO2 into acid-base adducts (e.g., metal complexes). (E) Lewis acid-base activated CO2, such as frustrated Lewis pair complexes. (F) Simple base-CO2 adducts, wherein the base-CO2 bond is the only interaction formed. Complexes in the last category are of particular interest, and include imidazol-2-carboxylates (N-heterocyclic carbene adducts of CO2) as well as a few other examples that lie outside NHC chemistry.
C1 [Murphy, Luke J.; Robertson, Katherine N.; Clyburne, Jason A. C.] St Marys Univ, Dept Chem, Atlantic Ctr Green Chem, Halifax, NS B3H 3C3, Canada.
[Kemp, Richard A.] Univ New Mexico, Dept Chem, Albuquerque, NM 87131 USA.
[Kemp, Richard A.] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA.
[Tuononen, Heikki M.] Univ Jyvaskyla, Dept Chem, Ctr Neurosci, FI-40014 Jyvaskyla, Finland.
RP Clyburne, JAC (reprint author), St Marys Univ, Dept Chem, Atlantic Ctr Green Chem, Halifax, NS B3H 3C3, Canada.
EM jason.clyburne@smu.ca
FU Natural Sciences and Engineering Research Council of Canada; Academy of
Finland; Canada Research Chairs Program, Canadian Foundation for
Innovation; Nova Scotia Research and Innovation Trust Fund; Foundation
for Research of Natural Resources in Finland; University of Jyvaskyla;
EnCana Corporation (Deep Panuke Education & Training and Research &
Development Fund); National Science Foundation [CHE12-13529]
FX We thank the Natural Sciences and Engineering Research Council of Canada
(through the Discovery Grants Program to JACC) and the Academy of
Finland (through its Research Fellowship to HMT). JACC acknowledges
support from the Canada Research Chairs Program, the Canadian Foundation
for Innovation and the Nova Scotia Research and Innovation Trust Fund.
HMT acknowledges support from the Academy of Finland, the Foundation for
Research of Natural Resources in Finland and the University of
Jyvaskyla. This work was also supported, in part, by EnCana Corporation
(Deep Panuke Education & Training and Research & Development Fund). RAK
acknowledges support of the National Science Foundation (Grant
CHE12-13529).
NR 171
TC 31
Z9 31
U1 9
U2 149
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 2015
VL 51
IS 19
BP 3942
EP 3956
DI 10.1039/c4cc08510h
PG 15
WC Chemistry, Multidisciplinary
SC Chemistry
GA CC2ZB
UT WOS:000350212600001
PM 25601453
ER
PT J
AU Concepcion, JJ
Zhong, DK
Szalda, DJ
Muckerman, JT
Fujita, E
AF Concepcion, Javier J.
Zhong, Diane K.
Szalda, David J.
Muckerman, James T.
Fujita, Etsuko
TI Mechanism of water oxidation by [Ru(bda)(L)(2)]: the return of the "blue
dimer"
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID BRIDGED RUTHENIUM DIMER; ELECTRON-TRANSFER; PHOTOSYSTEM-II; SINGLE-SITE;
CATALYST; COMPLEXES
AB We describe here a combined solution-surface-DFT calculations study for complexes of the type [Ru(bda)(L)(2)] including X-ray structure of intermediates and their reactivity, as well as pH-dependent electro-chemistry and spectroelectrochemistry. These studies shed light on the mechanism of water oxidation by [Ru(bda)(L)(2)], revealing key features unavailable from solution studies with sacrificial oxidants.
C1 [Concepcion, Javier J.; Zhong, Diane K.; Muckerman, James T.; Fujita, Etsuko] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
[Szalda, David J.] CUNY Bernard M Baruch Coll, Dept Nat Sci, New York, NY 10010 USA.
RP Concepcion, JJ (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM jconcepc@bnl.gov
FU U.S. Department of Energy, Office of Science, Division of Chemical
Sciences, Geosciences, & Biosciences, Office of Basic Energy Sciences
[DE-AC02-98CH10886]
FX This work was carried out at Brookhaven National Laboratory and
supported by the U.S. Department of Energy, Office of Science, Division
of Chemical Sciences, Geosciences, & Biosciences, Office of Basic Energy
Sciences under contract DE-AC02-98CH10886.
NR 22
TC 15
Z9 15
U1 7
U2 37
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
EI 1364-548X
J9 CHEM COMMUN
JI Chem. Commun.
PY 2015
VL 51
IS 19
BP 4105
EP 4108
DI 10.1039/c4cc07968j
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA CC2ZB
UT WOS:000350212600037
PM 25670391
ER
PT J
AU Barrios, LA
Salinas-Uber, J
Roubeau, O
Teat, SJ
Aromi, G
AF Barrios, L. A.
Salinas-Uber, J.
Roubeau, O.
Teat, S. J.
Aromi, G.
TI Molecular self-recognition: a chiral [Mn(II)(6)] wheel via
donor-acceptor pi center dot center dot center dot pi contacts and
H-bonds
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID SUPRAMOLECULAR CYLINDERS; COORDINATION CAGES; COMPLEXES; LIGAND; STATE;
TRANSFORMATION; NAPHTHALENE; STACKING; NUCLEAR; METAL
AB A multinucleating ligand capable of establishing different types of intermolecular interactions, when combined with acetate groups leads to the assembly of a chiral [Mn(II)(3)] cluster poised for a process of self-recognition through a combination of perfectly complementary weak forces.
C1 [Barrios, L. A.; Salinas-Uber, J.; Aromi, G.] Univ Barcelona, Dept Quim Inorgan, E-08028 Barcelona, Spain.
[Roubeau, O.] CSIC, Inst Ciencia Mat Aragon, E-50009 Zaragoza, Spain.
[Roubeau, O.] Univ Zaragoza, E-50009 Zaragoza, Spain.
[Teat, S. J.] Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Aromi, G (reprint author), Univ Barcelona, Dept Quim Inorgan, Diagonal 645, E-08028 Barcelona, Spain.
RI Aromi, Guillem/I-2483-2015; Roubeau, Olivier/A-6839-2010; BARRIOS
MORENO, LEONI ALEJANDRA/E-5413-2017
OI Aromi, Guillem/0000-0002-0997-9484; Roubeau,
Olivier/0000-0003-2095-5843; BARRIOS MORENO, LEONI
ALEJANDRA/0000-0001-7075-9950
FU ERC [258060 FuncMolQIP]; Spanish MICINN [MAT2011-24284]; Office of
Science, Office of Basic Energy Sciences of the U.S. Department of
Energy [DE-AC02-05CH11231]
FX GA thanks the Generalitat de Catalunya for the prize ICREA Academia 2008
and 2013, for excellence in research and the ERC for a Starting Grant
(258060 FuncMolQIP). The authors thank the Spanish MICINN for funding
through MAT2011-24284 (OR), the ERC for a Predoctoral Fellowship (JSU)
and a Postdoctoral contract (LAB) under Grant 258060 FuncMolQIP. The
Advanced Light Source is supported by the Director, Office of Science,
Office of Basic Energy Sciences of the U.S. Department of Energy under
contract no. DE-AC02-05CH11231.
NR 24
TC 0
Z9 0
U1 1
U2 14
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
EI 1364-548X
J9 CHEM COMMUN
JI Chem. Commun.
PY 2015
VL 51
IS 22
BP 4631
EP 4634
DI 10.1039/c5cc00142k
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA CC6OX
UT WOS:000350486300020
PM 25690703
ER
PT J
AU Liu, HD
Xu, J
Ma, CZ
Meng, YS
AF Liu, Haodong
Xu, Jing
Ma, Chuze
Meng, Ying Shirley
TI A new O3-type layered oxide cathode with high energy/power density for
rechargeable Na batteries
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID SODIUM-ION BATTERIES; X LESS-THAN; HIGH-CAPACITY CATHODE; POSITIVE
ELECTRODE; LITHIUM BATTERIES; LI-BATTERIES; STABILITY; P2-TYPE; MN;
NA4FE3(PO4)(2)(P2O7)
AB A new O3-Na0.78Li0.18Ni0.25Mn0.583Ow is prepared as the cathode material for Na-ion batteries, delivering exceptionally high energy density and superior rate performance. The single-slope voltage profile and ex situ synchrotron X-ray diffraction data demonstrate that no phase transformation happens through a wide range of sodium concentrations (up to 0.8 Na removed). Ni2+/Ni4+ is suggested to be the main redox center. Further optimization could be realized by tuning the combination and the ratio of transition metals.
C1 [Liu, Haodong; Xu, Jing; Ma, Chuze; Meng, Ying Shirley] Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92093 USA.
[Xu, Jing] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
RP Meng, YS (reprint author), Univ Calif San Diego, Dept NanoEngn, 9500 Gilman Dr, La Jolla, CA 92093 USA.
EM shirleymeng@ucsd.edu
FU Northeastern Center for Chemical Energy Storage, an Energy Frontier
Research Center - U.S. Department of Energy, Office of Basic Energy
Sciences [DE-SC0012583]; China Scholarship Council [2011631005]
FX Haodong Liu and Jing Xu equally contributed to this work. The authors
are grateful for the financial support from the Northeastern Center for
Chemical Energy Storage, an Energy Frontier Research Center funded by
the U.S. Department of Energy, Office of Basic Energy Sciences, with
Award Number DE-SC0012583. H. Liu acknowledges the financial support
from China Scholarship Council under Award Number 2011631005. The
authors appreciate the kind assistance from Dr Baihua Qu for anode
SnS2/rGO synthesis at National University of Singapore (NUS).
The XAS and SXRD were collected on 20-BM-B and 11-BM respectively at
Advanced Photon Source in Argonne National Laboratory.
NR 44
TC 18
Z9 18
U1 8
U2 156
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 2015
VL 51
IS 22
BP 4693
EP 4696
DI 10.1039/c4cc09760b
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA CC6OX
UT WOS:000350486300036
PM 25692397
ER
PT J
AU Karan, NS
Keller, AM
Sampat, S
Roslyak, O
Arefin, A
Hanson, CJ
Casson, JL
Desireddy, A
Ghosh, Y
Piryatinski, A
Iyer, R
Htoon, H
Malko, AV
Hollingsworth, JA
AF Karan, Niladri S.
Keller, Aaron M.
Sampat, Siddharth
Roslyak, Oleksiy
Arefin, Ayesha
Hanson, Christina J.
Casson, Joanna L.
Desireddy, Anil
Ghosh, Yagnaseni
Piryatinski, Andrei
Iyer, Rashi
Htoon, Han
Malko, Anton V.
Hollingsworth, Jennifer A.
TI Plasmonic giant quantum dots: hybrid nanostructures for truly
simultaneous optical imaging, photothermal effect and thermometry
SO CHEMICAL SCIENCE
LA English
DT Article
ID SUPPRESSED BLINKING; GOLD NANOPARTICLES; SHELL THICKNESS; NANOSHELLS;
TEMPERATURE; GROWTH; PHOTOLUMINESCENCE; RESONANCES; MECHANISM; CANCER
AB Hybrid semiconductor-metal nanoscale constructs are of both fundamental and practical interest. Semiconductor nanocrystals are active emitters of photons when stimulated optically, while the interaction of light with nanosized metal objects results in scattering and ohmic damping due to absorption. In a combined structure, the properties of both components can be realized together. At the same time, metal-semiconductor coupling may intervene to modify absorption and/or emission processes taking place in the semiconductor, resulting in a range of effects from photoluminescence quenching to enhancement. We show here that photostable 'giant' quantum dots when placed at the center of an ultrathin gold shell retain their key optical property of bright and blinking-free photoluminescence, while the metal shell imparts efficient photothermal transduction. The latter is despite the highly compact total particle size (40-60 nm "inorganic" diameter and <100 nm hydrodynamic diameter) and the very thin nature of the optically transparent Au shell. Importantly, the sensitivity of the quantum dot emission to local temperature provides a novel internal thermometer for recording temperature during infrared irradiation-induced photothermal heating.
C1 [Karan, Niladri S.; Keller, Aaron M.; Hanson, Christina J.; Desireddy, Anil; Ghosh, Yagnaseni; Htoon, Han; Hollingsworth, Jennifer A.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
[Sampat, Siddharth; Malko, Anton V.] Univ Texas Dallas, Dept Phys, Richardson, TX 75080 USA.
[Roslyak, Oleksiy] Fordham Univ, Dept Phys, Bronx, NY 10458 USA.
[Arefin, Ayesha; Iyer, Rashi] Los Alamos Natl Lab, Def Syst & Anal Div, Syst Anal & Surveillance, Los Alamos, NM 87545 USA.
[Casson, Joanna L.] Los Alamos Natl Lab, Div Chem, Phys Chem & Appl Spect, Los Alamos, NM 87545 USA.
[Piryatinski, Andrei] Los Alamos Natl Lab, Div Theoret, Phys Condensed Matter & Complex Syst, Los Alamos, NM 87545 USA.
RP Hollingsworth, JA (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA.
EM jenn@lanl.gov
RI Piryatinski, Andrei/B-5543-2009;
OI Htoon, Han/0000-0003-3696-2896
FU Division of Materials Science and Engineering (MSE), Office of Basic
Energy Sciences (OBES), Office of Science (OS), U.S. Department of
Energy (DOE) [2009LANL1096]; OBES, OS, DOE [DE-SC0010697]; Los Alamos
National Laboratory (LANL) Directed Research and Development (LDRD)
funds; LANL Center for Integrated Nanotechnologies (CINT) postdoctoral
funding; OBES, OS, DOE MSE Biomolecular Materials Program; National
Nuclear Security Administration of the U.S. Department of Energy
[DE-AC52-06NA25396]
FX For this effort, J.A.H., H.H., J.L.C and C.J.H. were supported by a
Single Investigator Small Group Research Grant (2009LANL1096), Division
of Materials Science and Engineering (MSE), Office of Basic Energy
Sciences (OBES), Office of Science (OS), U.S. Department of Energy
(DOE). A.V.M. and S.S were supported by grant DE-SC0010697, OBES, OS,
DOE. N.S.K., A. A., Y.G. and R.I. were supported by Los Alamos National
Laboratory (LANL) Directed Research and Development (LDRD) funds. A.M.K.
and O.R. were supported by LANL Center for Integrated Nanotechnologies
(CINT) postdoctoral funding. A.D. was supported by the OBES, OS, DOE MSE
Biomolecular Materials Program. This work was performed in large part at
CINT, a DOE, OBES Nanoscale Science Research Center and User Facility.
Los Alamos National Laboratory, an affirmative action equal opportunity
employer, is operated by Los Alamos National Security, LLC, for the
National Nuclear Security Administration of the U.S. Department of
Energy under contract DE-AC52-06NA25396. We acknowledge the technical
assistance from Piyush Bajaj in execution of the cell exposure
experiments and analysis. We thank James Werner for instrumentation
resources, helpful discussion regarding experimental design, and
assistance in setting up the near-infrared irradiation with simultaneous
photoluminescence imaging.
NR 49
TC 10
Z9 10
U1 3
U2 42
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 2015
VL 6
IS 4
BP 2224
EP 2236
DI 10.1039/c5sc00020c
PG 13
WC Chemistry, Multidisciplinary
SC Chemistry
GA CD9IW
UT WOS:000351412800012
ER
PT J
AU Katz, MJ
Moon, SY
Mondloch, JE
Beyzavi, MH
Stephenson, CJ
Hupp, JT
Farha, OK
AF Katz, Michael J.
Moon, Su-Young
Mondloch, Joseph E.
Beyzavi, M. Hassan
Stephenson, Casey J.
Hupp, Joseph T.
Farha, Omar K.
TI Exploiting parameter space in MOFs: a 20-fold enhancement of
phosphate-ester hydrolysis with UiO-66-NH2
SO CHEMICAL SCIENCE
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; BIMETALLIC TETRABENZIMIDAZOLE COMPLEXES;
BACTERIAL PHOSPHOTRIESTERASE; CATALYTIC DECOMPOSITION;
REACTION-MECHANISM; ARYL PHOSPHATE; METHANOLYSIS; DEGRADATION;
PHOSPHORUS; STABILITY
AB The hydrolysis of nerve agents is of primary concern due to the severe toxicity of these agents. Using a MOF-based catalyst (UiO-66), we have previously demonstrated that the hydrolysis can occur with relatively fast half-lives of 50 minutes. However, these rates are still prohibitively slow to be efficiently utilized for some practical applications (e.g., decontamination wipes used to clean exposed clothing/skin/vehicles). We thus turned our attention to derivatives of UiO-66 in order to probe the importance of functional groups on the hydrolysis rate. Three UiO-66 derivatives were explored; UiO-66-NO2 and UiO-66-(OH)(2) showed little to no change in hydrolysis rate. However, UiO-66-NH2 showed a 20 fold increase in hydrolysis rate over the parent UiO-66 MOF. Half-lives of 1 minute were observed with this MOF. In order to probe the role of the amino moiety, we turned our attention to UiO-67, UiO-67-NMe2 and UiO-67-NH2. In these MOFs, the amino moiety is in close proximity to the zirconium node. We observed that UiO-67-NH2 is a faster catalyst than UiO-67 and UiO-67-NMe2. We conclude that the role of the amino moiety is to act as a proton-transfer agent during the catalytic cycle and not to hydrogen bond or to form a phosphorane intermediate.
C1 [Katz, Michael J.; Moon, Su-Young; Mondloch, Joseph E.; Beyzavi, M. Hassan; Stephenson, Casey J.; Hupp, Joseph T.; Farha, Omar K.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
[Hupp, Joseph T.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Farha, Omar K.] King Abdulaziz Univ, Fac Sci, Dept Chem, Jeddah 21413, Saudi Arabia.
RP Hupp, JT (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.
EM j-hupp@northwestern.edu; o-farha@northwestern.edu
RI Faculty of, Sciences, KAU/E-7305-2017;
OI Katz, Michael/0000-0002-7744-3956
FU DTRA [HDTRA-1-10-0023]
FX O.K.F. and J.T.H. gratefully acknowledges DTRA for financial support
(grant HDTRA-1-10-0023). The authors would like to thank Nicolaas
Vermeulen for his assistance in the purification of methy-paraoxon.
NR 71
TC 34
Z9 35
U1 41
U2 169
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 2015
VL 6
IS 4
BP 2286
EP 2291
DI 10.1039/c4sc03613a
PG 6
WC Chemistry, Multidisciplinary
SC Chemistry
GA CD9IW
UT WOS:000351412800017
ER
PT J
AU Kwant, RL
Jaffe, J
Palmere, PJ
Francis, MB
AF Kwant, Richard L.
Jaffe, Jake
Palmere, Peter J.
Francis, Matthew B.
TI Controlled levels of protein modification through a
chromatography-mediated bioconjugation
SO CHEMICAL SCIENCE
LA English
DT Article
ID ANTIBODY DRUG CONJUGATE; AFFINITY-CHROMATOGRAPHY; LIVING CELLS;
AMINOPHENOLS; SYSTEM; IDENTIFICATION; PURIFICATION; ANILINES; AGAROSE;
DNA
AB Synthetically modified proteins are increasingly finding applications as well-defined scaffolds for materials. In practice it remains difficult to construct bioconjugates with precise levels of modification because of the limited number of repeated functional groups on proteins. This article describes a method to control the level of protein modification in cases where there exist multiple potential modification sites. A protein is first tagged with a handle using any of a variety of modification chemistries. This handle is used to isolate proteins with a particular number of modifications via affinity chromatography, and then the handle is elaborated with a desired moiety using an oxidative coupling reaction. This method results in a sample of protein with a well-defined number of modifications, and we find it particularly applicable to systems like protein homomultimers in which there is no way to discern between chemically identical subunits. We demonstrate the use of this method in the construction of a protein-templated light-harvesting mimic, a type of system which has historically been difficult to make in a well-defined manner.
C1 [Kwant, Richard L.; Jaffe, Jake; Palmere, Peter J.; Francis, Matthew B.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Francis, Matthew B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Francis, MB (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM mbfrancis@berkeley.edu
FU Office of Science, Chemical Sciences, Geosciences, and Biosciences
Division, of the U.S. Department of Energy [DEAC02-05CH11231];
Department of Defense (DoD) through the National Defense Science &
Engineering Graduate Fellowship (NDSEG) Program
FX The development of the beta-cyclodextrin-based chromatography technique
was supported by the Energy Biosciences Institute at UC Berkeley. Our
studies of protein-templated light harvesting systems were generously
supported by the Director, Office of Science, Chemical Sciences,
Geosciences, and Biosciences Division, of the U.S. Department of Energy
under Contract no. DEAC02-05CH11231. R.L.K. was supported by the
Department of Defense (DoD) through the National Defense Science &
Engineering Graduate Fellowship (NDSEG) Program.
NR 29
TC 1
Z9 1
U1 1
U2 18
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 2015
VL 6
IS 4
BP 2596
EP 2601
DI 10.1039/c4sc03790a
PG 6
WC Chemistry, Multidisciplinary
SC Chemistry
GA CD9IW
UT WOS:000351412800057
ER
PT J
AU Luthi, MP
Ryser, C
Andrews, LC
Catania, GA
Funk, M
Hawley, RL
Hoffman, MJ
Neumann, TA
AF Luethi, M. P.
Ryser, C.
Andrews, L. C.
Catania, G. A.
Funk, M.
Hawley, R. L.
Hoffman, M. J.
Neumann, T. A.
TI Heat sources within the Greenland Ice Sheet: dissipation, temperate
paleo-firn and cryo-hydrologic warming
SO CRYOSPHERE
LA English
DT Article
ID ABLATION ZONE; WEST GREENLAND; FAST-FLOW; JAKOBSHAVNS-ISBRAE; DARK
REGION; MECHANISMS; DEFORMATION; BOREHOLES; MOTION; LEVEL
AB Ice temperature profiles from the Greenland Ice Sheet contain information on the deformation history, past climates and recent warming. We present full-depth temperature profiles from two drill sites on a flow line passing through Swiss Camp, West Greenland. Numerical modeling reveals that ice temperatures are considerably higher than would be expected from heat diffusion and dissipation alone. The possible causes for this extra heat are evaluated using a Lagrangian heat flow model. The model results reveal that the observations can be explained with a combination of different processes: enhanced dissipation (strain heating) in ice-age ice, temperate paleo-firn, and cryo-hydrologic warming in deep crevasses.
C1 [Luethi, M. P.; Ryser, C.; Funk, M.] ETH, Versuchsanstalt Wasserbau Hydrol & Glaziol VAW, CH-8093 Zurich, Switzerland.
[Andrews, L. C.; Catania, G. A.] Univ Texas Austin, Inst Geophys, Austin, TX 78758 USA.
[Andrews, L. C.; Catania, G. A.] Univ Texas Austin, Dept Geol Sci, Austin, TX 78758 USA.
[Hawley, R. L.] Dartmouth Coll, Dept Earth Sci, Hanover, NH 03755 USA.
[Hoffman, M. J.] Los Alamos Natl Lab, Fluid Dynam & Solid Mech Grp, Los Alamos, NM 87545 USA.
[Neumann, T. A.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20770 USA.
RP Luthi, MP (reprint author), ETH, Versuchsanstalt Wasserbau Hydrol & Glaziol VAW, CH-8093 Zurich, Switzerland.
EM martin.luethi@geo.uzh.ch
RI Catania, Ginny/B-9787-2008; Neumann, Thomas/D-5264-2012; Andrews,
Lauren/D-8274-2017;
OI Andrews, Lauren/0000-0003-3727-4737; Luthi, Martin
Peter/0000-0003-4419-8496
FU Swiss National Science Foundation [200021_127197]; US-NSF [OPP 0908156,
OPP 0909454, ANT-0424589]; NASA within the US Department of Energy
Office of Science
FX This project was supported by Swiss National Science Foundation Grant
200021_127197, US-NSF Grants OPP 0908156, OPP 0909454 and ANT-0424589
(to CReSIS), NASA Cryospheric Sciences, and Climate Modeling Programs
within the US Department of Energy Office of Science. Logistical support
was provided by CH2MHill Polar Services.
NR 37
TC 10
Z9 10
U1 4
U2 5
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1994-0416
EI 1994-0424
J9 CRYOSPHERE
JI Cryosphere
PY 2015
VL 9
IS 1
BP 245
EP 253
DI 10.5194/tc-9-245-2015
PG 9
WC Geography, Physical; Geosciences, Multidisciplinary
SC Physical Geography; Geology
GA CC7NR
UT WOS:000350555400018
ER
PT J
AU Mittal, A
Vinzant, TB
Brunecky, R
Black, SK
Pilath, HM
Himmel, ME
Johnson, DK
AF Mittal, Ashutosh
Vinzant, Todd B.
Brunecky, Roman
Black, Stuart K.
Pilath, Heidi M.
Himmel, Michael E.
Johnson, David K.
TI Investigation of the role of lignin in biphasic xylan hydrolysis during
dilute acid and organosolv pretreatment of corn stover
SO GREEN CHEMISTRY
LA English
DT Article
ID MAIZE CELL-WALLS; ENZYMATIC-HYDROLYSIS; HEMICELLULOSE HYDROLYSIS;
LIGNOCELLULOSIC BIOMASS; REACTION-KINETICS; SUGAR MAPLE; WOOD;
AUTOHYDROLYSIS; CELLULOSE; ETHANOL
AB One of the key objectives of biomass pretreatment is to maximize the xylose yield. However, the kinetics of xylan hydrolysis appear to be governed by two parallel first-order reactions with one reaction much faster than the other, thereby limiting both the rate and extent of xylan hydrolysis. Here, we investigate the influence of lignin on xylan hydrolysis kinetics during dilute acid pretreatment of corn stover rind (CSR) by modifying either the substrate or the pretreatment conditions. Dilute acid pretreatment was conducted to test the hypothesis that association of a fraction of the xylan with lignin causes this fraction to hydrolyze at a slower rate resulting in biphasic kinetics. In addition, CSR was pretreated under organosolv (OS) conditions, where xylan and lignin were solubilized simultaneously, to decouple the hydrolysis of xylan from the lignin redistribution process that occurs during dilute acid pretreatment. Dilute acid pretreatment of CSR delignified under mild conditions still exhibited biphasic kinetics, although the fraction of slow hydrolyzing xylan decreased and the rate of fast hydrolyzing xylan increased by 60% resulting in achieving more than 95% total xylose yield. Pretreatment of CSR under OS conditions also appeared to exhibit biphasic xylan hydrolysis kinetics. Unexpectedly, the solubilization of xylan and lignin appeared to occur at similar rates. The increases in the rate and fraction of fast hydrolyzing xylan observed by removing the majority of the lignin support the hypothesis that the slow hydrolyzing xylan is a result of its association with lignin. To further investigate the role of lignin in xylan hydrolysis, the raw and pretreated CSR samples were labeled with a monoclonal antibody (containing a fluorescent dye) that binds xylan specifically so that the location of xylan in the cell wall could be imaged by confocal laser scanning microscopy (CLM). CLM of the pretreated delignified samples showed a similar, intense signal pattern as exhibited by the raw and pretreated control, indicating that the majority of the remaining xylan was located at both cytosolic and middle lamellar cell wall edges. OS pretreated CSR did, however, show a diminution in signal intensity at cell wall edges compared to CSR pretreated under standard dilute acid conditions.
C1 [Mittal, Ashutosh; Vinzant, Todd B.; Brunecky, Roman; Himmel, Michael E.; Johnson, David K.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA.
[Black, Stuart K.; Pilath, Heidi M.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA.
RP Mittal, A (reprint author), Natl Renewable Energy Lab, Biosci Ctr, 15013 Denver W Pkwy, Golden, CO 80401 USA.
EM ashutosh.mittal@nrel.gov
FU U.S. Department of Energy (DOE) [DE-AC36-08GO28308]; DOE Office of
Energy Efficiency and Renewable Energy, Bioenergy Technologies Office
(BETO)
FX This work was supported by the U.S. Department of Energy (DOE) under
Contract No. DE-AC36-08GO28308. Funding for the work was provided by the
DOE Office of Energy Efficiency and Renewable Energy, Bioenergy
Technologies Office (BETO).
NR 43
TC 3
Z9 3
U1 8
U2 33
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 2015
VL 17
IS 3
BP 1546
EP 1558
DI 10.1039/c4gc02258k
PG 13
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA CD4YC
UT WOS:000351091300025
ER
PT J
AU George, A
Brandt, A
Tran, K
Zahari, SMSNS
Klein-Marcuschamer, D
Sun, N
Sathitsuksanoh, N
Shi, J
Stavila, V
Parthasarathi, R
Singh, S
Holmes, BM
Welton, T
Simmons, BA
Hallett, JP
AF George, Anthe
Brandt, Agnieszka
Tran, Kim
Zahari, Shahrul M. S. Nizan S.
Klein-Marcuschamer, Daniel
Sun, Ning
Sathitsuksanoh, Noppadon
Shi, Jian
Stavila, Vitalie
Parthasarathi, Ramakrishnan
Singh, Seema
Holmes, Bradley M.
Welton, Tom
Simmons, Blake A.
Hallett, Jason P.
TI Design of low-cost ionic liquids for lignocellulosic biomass
pretreatment
SO GREEN CHEMISTRY
LA English
DT Article
ID PSEUDO-LIGNIN; CORN STOVER; DILUTE-ACID; DECONSTRUCTION; SWITCHGRASS;
AFEX(TM)
AB The cost of ionic liquids (ILs) is one of the main impediments to IL utilization in the cellulosic biorefinery, especially in the pretreatment step. In this study, a number of ionic liquids were synthesized with the goal of optimizing solvent cost and stability whilst demonstrating promising processing potential. To achieve this, inexpensive feedstocks such as sulfuric acid and simple amines were combined into a range of protic ionic liquids containing the hydrogen sulfate [HSO4](-) anion. The performance of these ionic liquids was compared to a benchmark system containing the IL 1-ethyl-3-methylimidazolium acetate [C(2)C(1)im][OAc]. The highest saccharification yields were observed for the triethylammonium hydrogen sulfate IL, which was 75% as effective as the benchmark system. Techno-economic modeling revealed that this promising and yet to be optimized yield was achieved at a fraction of the processing cost. This study demonstrates that some ILs can compete with the cheapest pretreatment chemicals, such as ammonia, in terms of effectiveness and process cost, removing IL cost as a barrier to the economic viability of IL-based biorefineries.
C1 [George, Anthe; Tran, Kim; Klein-Marcuschamer, Daniel; Sun, Ning; Sathitsuksanoh, Noppadon; Shi, Jian; Stavila, Vitalie; Parthasarathi, Ramakrishnan; Singh, Seema; Holmes, Bradley M.; Simmons, Blake A.] Joint BioEnergy Inst, Emeryville, CA 94608 USA.
[Brandt, Agnieszka; Zahari, Shahrul M. S. Nizan S.; Hallett, Jason P.] Univ London Imperial Coll Sci Technol & Med, Dept Chem Engn, London SW7 2AZ, England.
[Zahari, Shahrul M. S. Nizan S.; Welton, Tom] Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AY, England.
RP George, A (reprint author), Joint BioEnergy Inst, Emeryville, CA 94608 USA.
EM j.hallett@imperial.ac.uk
RI Hallett, Jason/A-3281-2012; Brandt, Agnieszka/H-5966-2011;
OI Hallett, Jason/0000-0003-3431-2371; Brandt,
Agnieszka/0000-0002-5805-0233; Simmons, Blake/0000-0002-1332-1810
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 29
TC 49
Z9 50
U1 22
U2 109
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 2015
VL 17
IS 3
BP 1728
EP 1734
DI 10.1039/c4gc01208a
PG 7
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA CD4YC
UT WOS:000351091300046
ER
PT J
AU Stephenson, KE
Neubauer, GH
Reimer, U
Pawlowski, N
Knaute, T
Zervveck, J
Korber, BT
Barouch, DH
AF Stephenson, Kathryn E.
Neubauer, George H.
Reimer, Ulf
Pawlowski, Nikolaus
Knaute, Tobias
Zervveck, Johannes
Korber, Bette T.
Barouch, Dan H.
TI Quantification of the epitope diversity of HIV-1-specific binding
antibodies by peptide microarrays for global HIV-1 vaccine development
SO JOURNAL OF IMMUNOLOGICAL METHODS
LA English
DT Article
DE HIV; Peptide microarray; Diversity; Antibody; Vaccine
ID HUMAN-IMMUNODEFICIENCY-VIRUS; B-CELL RESPONSES; RHESUS-MONKEYS; IGG
ANTIBODIES; INFECTION; BREADTH; CHALLENGES; SIGNATURES; EFFICACY;
IMMUNITY
AB An effective vaccine against human immunodeficiency virus type 1 (HIV-1) will have to provide protection against a vast array of different HIV-1 strains. Current methods to measure HIV-1-specific binding antibodies following immunization typically focus on determining the magnitude of antibody responses, but the epitope diversity of antibody responses has remained largely unexplored. Here we describe the development of a global HIV-1 peptide microarray that contains 6564 peptides from across the HIV-1 proteome and covers the majority of HIV-1 sequences in the Los Alamos National Laboratory global HIV-1 sequence database. Using this microarray, we quantified the magnitude, breadth, and depth of IgG binding to linear HIV-1 sequences in HIV-1-infected humans and HIV-1-vaccinated humans, rhesus monkeys and guinea pigs. The microarray measured potentially important differences in antibody epitope diversity, particularly regarding the depth of epitope variants recognized at each binding site. Our data suggest that the global HIV-1 peptide microarray may be a useful tool for both preclinical and clinical HIV-1 research. (C) 2014 The Authors. Published by Elsevier B.V.
C1 [Stephenson, Kathryn E.; Neubauer, George H.; Barouch, Dan H.] Beth Israel Deaconess Med Ctr, Ctr Virol & Vaccine Res, Boston, MA 02215 USA.
[Reimer, Ulf; Pawlowski, Nikolaus; Knaute, Tobias; Zervveck, Johannes] JPT Peptide Technol, Berlin, Germany.
[Korber, Bette T.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA.
[Barouch, Dan H.] Ragon Inst MGH MIT & Harvard, Boston, MA USA.
RP Barouch, DH (reprint author), Beth Israel Deaconess Med Ctr, Ctr Virol & Vaccine Res, 330 Brookline Ave,E CLS-1047, Boston, MA 02215 USA.
EM dbarouch@bidmc.harvard.edu
FU National Institutes of Health [AI060354, AI078526, AI084794, AI095985,
AI096040]; Bill and Melinda Gates Foundation [OPP 1033091, OPP1040741];
Ragon Institute of MGH, MIT, and Harvard
FX This research was supported by the National Institutes of Health
(AI060354 to K.E.S.; AI078526, AI084794, AI095985, and AI096040 to
D.H.B.), the Bill and Melinda Gates Foundation (OPP 1033091, OPP1040741
to D.H.B.), and the Ragon Institute of MGH, MIT, and Harvard (to K.E.S.
and D.H.B.). Plasma and serum samples from human subjects were obtained
from studies conducted by the AIDS Clinical Trials Group and the NIH
Integrated Preclinical/Clinical AIDS Vaccine Development Program. We
thank E. Rosenberg, L Baden, M. Seaman, C. Bricault, J. Iampietro, H.
Li, and Z. Kang for providing generous advice, assistance, and reagents.
NR 41
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U1 0
U2 3
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-1759
EI 1872-7905
J9 J IMMUNOL METHODS
JI J. Immunol. Methods
PD JAN
PY 2015
VL 416
BP 105
EP 123
DI 10.1016/j.jim.2014.11.006
PG 19
WC Biochemical Research Methods; Immunology
SC Biochemistry & Molecular Biology; Immunology
GA CC9UC
UT WOS:000350715700010
PM 25445329
ER
PT J
AU Wu, Y
Ma, C
Yang, JH
Li, ZC
Allard, LF
Liang, CD
Chi, MF
AF Wu, Yan
Ma, Cheng
Yang, Jihui
Li, Zicheng
Allard, Lawrence F.
Liang, Chengdu
Chi, Miaofang
TI Probing the initiation of voltage decay in Li-rich layered cathode
materials at the atomic scale
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID LITHIUM-ION BATTERIES; SPINEL COMPOSITE CATHODES; X-RAY-DIFFRACTION;
ELECTRON-MICROSCOPY; CAPACITY; OXIDES; ELECTROCHEMISTRY; CHALLENGES;
DESIGN; NI
AB Li-rich layered oxides hold great promise for improving the energy density of present-day Li-ion batteries. Their application is, however, limited by the voltage decay upon cycling, and the origin of such a phenomenon is poorly understood. A major issue is determining the voltage range over which detrimental reactions originate. In the present study, a unique yet effective approach was employed to probe this issue. Instead of studying the materials during the first cycle, electrochemical behavior and evolution of the atomic structures were compared in extensively cycled specimens under varied charge/discharge voltages. With the upper cutoff voltage lowered from 4.8 to 4.4 V, the voltage decay ceased to occur even after 60 cycles. In the meantime, the material maintained its layered structure without any spinel phase emerging at the surface, which is unambiguously shown by the atomic-resolution Z-contrast imaging and electron energy loss spectroscopy. These results have conclusively demonstrated that structural/chemical changes responsible for the voltage decay began between 4.4 and 4.8 V, where the layered-to-spinel transition was the most dramatic structural change observed. This discovery lays important groundwork for the mechanistic understanding of the voltage decay in Li-rich layered cathode materials.
C1 [Wu, Yan] Gen Motors Global R&D Ctr, Warren, MI 48090 USA.
[Ma, Cheng; Allard, Lawrence F.; Liang, Chengdu; Chi, Miaofang] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Yang, Jihui] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA.
[Li, Zicheng] Optimal Inc, Plymouth, MI 48170 USA.
RP Wu, Y (reprint author), Gen Motors Global R&D Ctr, 30500 Mound Rd, Warren, MI 48090 USA.
EM yan.wu@gm.com; jihuiy@uw.edu; chim@ornl.gov
RI Yang, Jihui/A-3109-2009; Ma, Cheng/C-9120-2014; Chi,
Miaofang/Q-2489-2015
OI Chi, Miaofang/0000-0003-0764-1567
FU U.S. Department of Energy, Office of Science, Materials Sciences and
Engineering Division
FX The microscopic work was performed as in-house research at the Center
for Nanophase Materials Sciences (CNMS), which is an Office of Science
User Facility. Work on the electrochemical analysis at ORNL was
supported by the U.S. Department of Energy, Office of Science, Materials
Sciences and Engineering Division, and performed at the CNMS. J. Yang
would like to thank the support from the Inamori Foundation.
NR 27
TC 14
Z9 14
U1 7
U2 101
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 2015
VL 3
IS 10
BP 5385
EP 5391
DI 10.1039/c4ta06856d
PG 7
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CC9IJ
UT WOS:000350682100021
ER
PT J
AU Liao, C
Sa, N
Key, B
Burrell, AK
Cheng, L
Curtiss, LA
Vaughey, JT
Woo, JJ
Hu, LB
Pan, BF
Zhang, ZC
AF Liao, Chen
Sa, Niya
Key, Baris
Burrell, Anthony K.
Cheng, Lei
Curtiss, Larry A.
Vaughey, John T.
Woo, Jung-Je
Hu, Libo
Pan, Baofei
Zhang, Zhengcheng
TI The unexpected discovery of the Mg(HMDS)(2)/MgCl2 complex as a magnesium
electrolyte for rechargeable magnesium batteries
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID ENERGY-STORAGE; DEPOSITION; CHALLENGE; CATHODE; SALTS
AB We developed a unique class of non-Grignard, aluminum-free magnesium electrolytes based on a simple mixture of magnesium compounds: magnesium hexamethyldisilazide (Mg(HMDS)(2)) and magnesium chloride (MgCl2). Through a reverse Schlenk equilibrium, a concentrated THF solution of Mg(HMDS)(2)-4MgCl(2) was prepared to achieve reversible Mg deposition/dissolution, a wide electrochemical window, and a coulombic efficiency of 99%. High reversible capacities and good rate capabilities were obtained in Mg-Mo6S8 cells using these new electrolytes in tests with different rates. The unexpected high solubility of MgCl2 in the solvent of THF with the help from Mg(HMDS)(2) provides a new way to develop magnesium electrolytes.
C1 [Liao, Chen; Sa, Niya; Key, Baris; Burrell, Anthony K.; Vaughey, John T.; Pan, Baofei] Argonne Natl Lab, Joint Ctr Energy Storage Res, Lemont, IL 60439 USA.
[Liao, Chen; Sa, Niya; Key, Baris; Burrell, Anthony K.; Vaughey, John T.; Woo, Jung-Je; Hu, Libo; Pan, Baofei; Zhang, Zhengcheng] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Cheng, Lei; Curtiss, Larry A.] Argonne Natl Lab, Mat Sci Div, Argonne, IL 60439 USA.
RP Liao, C (reprint author), Argonne Natl Lab, Joint Ctr Energy Storage Res, Lemont, IL 60439 USA.
EM liaoc@anl.gov
RI Pan, Baofei/H-2867-2015; SA, NIYA/E-8521-2017;
OI Liao, Chen/0000-0001-5168-6493
FU Joint Center for Energy Storage Research, an Energy Innovation Hub -
U.S. Department of Energy, Office of Science, Basic Energy Sciences;
U.S. Department of Energy Office of Science laboratory
[DE-AC02-06CH11357]
FX This work was supported as part of the Joint Center for Energy Storage
Research, an Energy Innovation Hub funded by the U.S. Department of
Energy, Office of Science, Basic Energy Sciences. 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 electron microscopy was accomplished at the
Electron Microscopy Center at Argonne National Laboratory.
NR 19
TC 18
Z9 18
U1 15
U2 78
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 2015
VL 3
IS 11
BP 6082
EP 6087
DI 10.1039/c5ta00118h
PG 6
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CD2EH
UT WOS:000350886600039
ER
PT J
AU Zou, JD
Paudyal, D
Liu, J
Mudryk, Y
Pecharsky, VK
Gschneidner, KA
AF Zou, Junding
Paudyal, Durga
Liu, Jing
Mudryk, Yaroslav
Pecharsky, Vitalij K.
Gschneidner, Karl A., Jr.
TI Magnetostructural phase transformations in Tb1-xMn2
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID TBMN2 INTERMETALLIC COMPOUND; MN-MOMENT INSTABILITY; RARE-EARTH;
MAGNETIC-PROPERTIES; RMN2 COMPOUNDS; LAVES PHASES; X-RAY; TRANSITION;
FIELD; YMN2
AB Magnetism and phase transformations in non-stoichiometric Tb1-xMn2 (x = 0.056, 0.039) have been studied as functions of temperature and magnetic field using magnetization, heat capacity, and X-ray powder diffraction measurements. Upon lowering the temperature, the compounds sequentially order ferrimagnetically and antiferromagnetically, and finally, exhibit spin reorientation transitions. Structural distortions from room temperature cubic to low temperature rhombohedral structures occur at T-N, and are accompanied by large volume changes reaching similar to-1.27% and -1.42%, respectively. First principles electronic structure calculations confirm the phase transformation from the ferrimagnetic cubic structure to the antiferromagnetic rhombohedral structure in TbMn2.
C1 [Zou, Junding] Zhejiang Univ, Sch Mat Sci & Engn, State Key Lab Silicon Mat, Key Lab Novel Mat Informat Technol Zhejiang Prov, Hangzhou 310027, Zhejiang, Peoples R China.
[Zou, Junding; Paudyal, Durga; Liu, Jing; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Gschneidner, Karl A., Jr.] Iowa State Univ, US Dept Energy, Ames Lab, Ames, IA 50011 USA.
[Liu, Jing; Pecharsky, Vitalij K.; Gschneidner, Karl A., Jr.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
RP Zou, JD (reprint author), Zhejiang Univ, Sch Mat Sci & Engn, State Key Lab Silicon Mat, Key Lab Novel Mat Informat Technol Zhejiang Prov, Hangzhou 310027, Zhejiang, Peoples R China.
EM zoujd@zju.edu.cn
FU National Natural Science Foundation of China [51471150]; U.S. Department
of Energy, Office of Basic Energy Science, Division of Materials
Sciences and Engineering; U.S. Department of Energy by Iowa State
University [DE-AC02-07CH11358]
FX This work was supported by the National Natural Science Foundation of
China (Grant no. 51471150). Work at the Ames Laboratory was supported by
the U.S. Department of Energy, Office of Basic Energy Science, Division
of Materials Sciences and Engineering. The research was performed at the
Ames Laboratory operated for the U.S. Department of Energy by Iowa State
University under Contract no. DE-AC02-07CH11358.
NR 45
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U1 1
U2 27
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7526
EI 2050-7534
J9 J MATER CHEM C
JI J. Mater. Chem. C
PY 2015
VL 3
IS 10
BP 2422
EP 2430
DI 10.1039/c4tc02506g
PG 9
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA CC9LY
UT WOS:000350693200032
ER
PT J
AU Dhak, D
Hong, S
Das, S
Dhak, P
AF Dhak, Debasis
Hong, Seungbum
Das, Soma
Dhak, Prasanta
TI Synthesis, Characterization, Properties, and Applications of Nanosized
Ferroelectric, Ferromagnetic, or Multiferroic Materials
SO JOURNAL OF NANOMATERIALS
LA English
DT Editorial Material
C1 [Dhak, Debasis] Sidho Kanho Birsha Univ, Dept Chem, Purulia 723101, W Bengal, India.
[Hong, Seungbum] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA.
[Das, Soma] Guru Ghasidas Vishwavidyalaya, Inst Technol, Elect & Commun Engn, Bilaspur 495009, India.
[Dhak, Prasanta] Seoul Natl Univ, Dept Mat Sci & Engn, Seoul 151744, South Korea.
RP Dhak, D (reprint author), Sidho Kanho Birsha Univ, Dept Chem, Purulia 723101, W Bengal, India.
EM debasisdhak@yahoo.co.in
RI Hong, Seungbum/B-7708-2009
OI Hong, Seungbum/0000-0002-2667-1983
FU US Department of Energy, Office of Science, Materials Sciences and
Engineering Division
FX We would like to thank our reviewers for their time and comments and
thank the authors for their contributions to this special issue. This
special issue could not have been successful without their contribution
and support. The work at Argonne (Seungbum Hong was responsible for
paper writing) was supported by the US Department of Energy, Office of
Science, Materials Sciences and Engineering Division.
NR 0
TC 0
Z9 0
U1 0
U2 5
PU HINDAWI PUBLISHING CORPORATION
PI NEW YORK
PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA
SN 1687-4110
EI 1687-4129
J9 J NANOMATER
JI J. Nanomater.
PY 2015
AR 723145
DI 10.1155/2015/723145
PG 2
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
SC Science & Technology - Other Topics; Materials Science
GA CD5FN
UT WOS:000351113400001
ER
PT J
AU Diefenderfer, HL
AF Diefenderfer, Heida L.
TI Coastal Conservation
SO MARINE BIOLOGY RESEARCH
LA English
DT Book Review
C1 [Diefenderfer, Heida L.] Pacific NW Natl Lab, Coastal Sci Div, Marine Sci Lab, Sequim, WA 98382 USA.
RP Diefenderfer, HL (reprint author), Pacific NW Natl Lab, Coastal Sci Div, Marine Sci Lab, Sequim, WA 98382 USA.
EM heida.diefenderfer@pnnl.gov
NR 6
TC 0
Z9 0
U1 1
U2 1
PU TAYLOR & FRANCIS AS
PI OSLO
PA KARL JOHANS GATE 5, NO-0154 OSLO, NORWAY
SN 1745-1000
EI 1745-1019
J9 MAR BIOL RES
JI Mar. Biol. Res.
PY 2015
VL 11
IS 4
BP 446
EP 448
DI 10.1080/17451000.2014.999095
PG 3
WC Ecology; Marine & Freshwater Biology
SC Environmental Sciences & Ecology; Marine & Freshwater Biology
GA CD3MO
UT WOS:000350983000014
ER
PT J
AU Rus, SF
Herklotz, A
AF Rus, S. F.
Herklotz, A.
GP TANGER
TI TUNING THE MAGNETOELECTRIC PROPERTIES WITH STRAIN IN EPITAXIAL
CO0.9SN0.1FE2O4 THIN FILMS
SO NANOCON 2014, 6TH INTERNATIONAL CONFERENCE
LA English
DT Proceedings Paper
CT 6th NANOCON International Conference
CY NOV 05-07, 2014
CL Brno, CZECH REPUBLIC
SP TANGER Ltd, Czech Soc New Mat & Technologies, Reg Ctr Adv Technologies & Mat, Mat Res Soc Serbia, Norsk Materialteknisk Selskap
DE Ferrite; substitution; magnetoelectric; magnetism; epitaxy
ID MAGNETIC-PROPERTIES; FERRITES
AB We have grown epitaxial Sn substituted cobalt ferrite thin films of various thicknesses on piezoelectric Pb(Mg1/3Nb2/(3))(0.72)Ti0.28O3 substrates and investigated the strain-induced changes of magnetic properties. All films described in this work have been deposited by pulsed laser deposition (PLD) from stoichiometric target of Co0.9Sn0.1Fe2O4. The lattice structure, crystallinity and orientation of the thin films were determined by X-ray diffraction analysis. The magnetization of thin films was measured for both, in-plane and out-of-plane configurations, using a superconductor quantum interference device (SQUID) magnetometer at 300 K. The measurements reveal that the magnetic anisotropy is altered by the strain imposed from the substrate upon application of an electric field. The magnetoelastic coupling is demonstrated by a change of the remanent magnetisation. However, we find that this strain effect is thickness dependent. The biggest strain effect is recorded for the thickest film (400nm) where an electric-field-controlled contraction of the substrate of 0.1% induces a relative change in magnetic moment of 9.3%. The relative change of the remanent magnetisation is reduced with decreasing film thickness and is smaller than 3% for the thinnest film (25nm).
C1 [Rus, S. F.] Natl Inst Res & Dev Electrochem & Condensed Matte, Timisoara, Romania.
[Herklotz, A.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Rus, SF (reprint author), Natl Inst Res & Dev Electrochem & Condensed Matte, Timisoara, Romania.
EM rusflorinastefania@gmail.com
RI rus, florina stefania/E-8465-2016
OI rus, florina stefania/0000-0001-8505-0733
NR 18
TC 0
Z9 0
U1 0
U2 3
PU TANGER LTD
PI SLEZSKA
PA KELTICKOVA 62, SLEZSKA, OSTRAVA 710 00, CZECH REPUBLIC
BN 978-80-87294-53-6
PY 2015
BP 766
EP 771
PG 6
WC Nanoscience & Nanotechnology; Physics, Applied
SC Science & Technology - Other Topics; Physics
GA BC1ZZ
UT WOS:000350636300131
ER
PT J
AU Guo, Y
Gu, D
Jin, Z
Du, PP
Si, R
Tao, J
Xu, WQ
Huang, YY
Senanayake, S
Song, QS
Jia, CJ
Schuth, F
AF Guo, Yu
Gu, Dong
Jin, Zhao
Du, Pei-Pei
Si, Rui
Tao, Jing
Xu, Wen-Qian
Huang, Yu-Ying
Senanayake, Sanjaya
Song, Qi-Sheng
Jia, Chun-Jiang
Schueth, Ferdi
TI Uniform 2 nm gold nanoparticles supported on iron oxides as active
catalysts for CO oxidation reaction: structure-activity relationship
SO NANOSCALE
LA English
DT Article
ID GAS SHIFT REACTION; CARBON-MONOXIDE; OXYGEN; TIO2; INCREASES; VACANCIES;
NANORODS; AU-CEO2
AB Uniform Au nanoparticles (similar to 2 nm) with narrow size-distribution (standard deviation: 0.5-0.6 nm) supported on both hydroxylated (Fe_OH) and dehydrated iron oxide (Fe_O) have been prepared by either deposition-precipitation (DP) or colloidal-deposition (CD) methods. Different structural and textural characterizations were applied to the dried, calcined and used gold-iron oxide samples. Transmission electron microscopy (TEM) and high-resolution TEM (HRTEM) showed high homogeneity in the supported Au nanoparticles. The ex situ and in situ X-ray absorption fine structure (XAFS) characterization monitored the electronic and short-range local structure of active gold species. The synchrotron-based in situ X-ray diffraction (XRD), together with the corresponding temperature-programmed reduction by hydrogen (H2-TPR), indicated a structural evolution of the iron-oxide supports, correlating to their reducibility. An inverse order of catalytic activity between DP (Au/Fe_OH < Au/Fe_O) and CD (Au/Fe_OH > Au/Fe_O) was observed. Effective gold-support interaction results in a high activity for gold nanoparticles, locally generated by the sintering of dispersed Au atoms on the oxide support in the DP synthesis, while a hydroxylated surface favors the reactivity of externally introduced Au nanoparticles on Fe_OH support for the CD approach. This work reveals why differences in the synthetic protocol translate to differences in the catalytic performance of Au/FeOx catalysts with very similar structural characteristics in CO oxidation.
C1 [Guo, Yu; Jin, Zhao; Song, Qi-Sheng; Jia, Chun-Jiang] Shandong Univ, Key Lab Colloid & Interface Chem, Key Lab Special Aggregated Mat, Sch Chem & Chem Engn, Jinan 250100, Peoples R China.
[Gu, Dong; Schueth, Ferdi] Max Planck Inst Kohlenforsch, D-45470 Mulheim, Germany.
[Du, Pei-Pei; Si, Rui; Huang, Yu-Ying] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai Synchrotron Radiat Facil, Shanghai 201204, Peoples R China.
[Tao, Jing] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
[Xu, Wen-Qian; Senanayake, Sanjaya] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Si, R (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai Synchrotron Radiat Facil, Shanghai 201204, Peoples R China.
EM sirui@sinap.ac.cn; jiacj@sdu.edu.cn
RI Gu, Dong/D-1940-2009; Schueth, Ferdi/B-1184-2017; Senanayake,
Sanjaya/D-4769-2009
OI Gu, Dong/0000-0003-4600-4499; Senanayake, Sanjaya/0000-0003-3991-4232
FU National Science Foundation of China (NSFC) [21301107, 21373259,
11079005]; Shandong University [2014JC005]; Taishan Scholar project of
Shandong Province (China); Chinese Academy of Sciences [XDA09030102];
Alexander von Humboldt Foundation; Max-Planck Society; DOE BES, by the
Materials Sciences and Engineering Division [DE-AC02-98CH10886]
FX Financial supported from the National Science Foundation of China (NSFC)
(grant nos. 21301107, 21373259 and 11079005), Fundamental research
funding of Shandong University (grant nos. 2014JC005), the Taishan
Scholar project of Shandong Province (China), and the Hundred Talents
project of the Chinese Academy of Sciences, the Strategic Priority
Research Program of the Chinese Academy of Sciences (grant no.
XDA09030102), the Alexander von Humboldt Foundation and the Max-Planck
Society are greatly acknowledged. The work done at Brookhaven National
Laboratory was supported by the DOE BES, by the Materials Sciences and
Engineering Division under contract DE-AC02-98CH10886, and through the
use of the Center for Functional Nanomaterials.
NR 28
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U1 8
U2 121
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 2015
VL 7
IS 11
BP 4920
EP 4928
DI 10.1039/c4nr06967f
PG 9
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CD4OA
UT WOS:000351061700012
PM 25631762
ER
PT J
AU Yin, QY
Gao, F
Gu, ZY
Stach, EA
Zhou, GW
AF Yin, Qiyue
Gao, Fan
Gu, Zhiyong
Stach, Eric A.
Zhou, Guangwen
TI In situ visualization of metallurgical reactions in nanoscale Cu/Sn
diffusion couples
SO NANOSCALE
LA English
DT Article
ID SN INTERMETALLIC COMPOUND; DEPENDENT MELTING PROPERTIES; LEAD-FREE
SOLDERS; PB-FREE SOLDERS; CU-SN; INTERFACIAL REACTIONS; NANOTWINNED
COPPER; VOID FORMATION; AG-CU/CU; GROWTH
AB The Cu-Sn metallurgical soldering reaction in two-segmented Cu-Sn nanowires is studied by in situ transmission electron microscopy. By varying the relative lengths of Cu and Sn segments, we show that the metallurgical reaction results in a Cu-Sn solid solution for small Sn/Cu length ratio while Cu-Sn intermetallic compounds (IMCs) for larger Sn/Cu length ratios. Upon heating the nanowires to similar to 500 degrees C, two phase transformation pathways occur, eta-Cu6Sn5 -> epsilon-Cu3Sn -> delta-Cu41Sn11 for nanowires with a long Cu segment and eta-Cu6Sn5 -> epsilon-Cu3Sn -> gamma-Cu3Sn with a short Cu segment. The evolution of Kirkendall voids in the nanowires demonstrates that Cu diffuses faster than Sn in IMCs. Void growth results in the nanowire breakage that shuts off the inter-diffusion of Cu and Sn and thus leads to changes in the phase transformation pathway in the IMCs.
C1 [Yin, Qiyue; Zhou, Guangwen] SUNY Binghamton, Dept Mech Engn, Binghamton, NY 13902 USA.
[Yin, Qiyue; Zhou, Guangwen] SUNY Binghamton, Multidisciplinary Program Mat Sci & Engn, Binghamton, NY 13902 USA.
[Gao, Fan; Gu, Zhiyong] Univ Massachusetts, Dept Chem Engn, Lowell, MA 01854 USA.
[Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
RP Zhou, GW (reprint author), SUNY Binghamton, Dept Mech Engn, Binghamton, NY 13902 USA.
EM gzhou@binghamton.edu
RI Stach, Eric/D-8545-2011;
OI Stach, Eric/0000-0002-3366-2153; Yin, Qiyue/0000-0002-6924-5116
FU National Science Foundation under NSF Collaborative Research Award
[CMMI-1233806]; U.S. Department of Energy, Office of Basic Energy
Sciences [DE-AC02-98CH10886]
FX This work was supported by the National Science Foundation under NSF
Collaborative Research Award Grant CMMI-1233806. Research carried out in
part at the Center for Functional Nanomaterials, Brookhaven National
Laboratory, which is supported by the U.S. Department of Energy, Office
of Basic Energy Sciences, under contract no. DE-AC02-98CH10886.
NR 52
TC 8
Z9 8
U1 2
U2 29
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 2015
VL 7
IS 11
BP 4984
EP 4994
DI 10.1039/c4nr06757f
PG 11
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CD4OA
UT WOS:000351061700021
PM 25692392
ER
PT J
AU Watkins, JD
Roth, EA
Lartey, M
Albenze, E
Zhong, MJ
Luebke, DR
Nulwala, HB
AF Watkins, John D.
Roth, Elliot A.
Lartey, Michael
Albenze, Erik
Zhong, Mingjiang
Luebke, David R.
Nulwala, Hunaid B.
TI Ionic liquid regioisomers: structure effect on the thermal and physical
properties
SO NEW JOURNAL OF CHEMISTRY
LA English
DT Article
ID 1,2,3-TRIAZOLIUM-BASED POLY(IONIC LIQUID)S; CLICK CHEMISTRY
POLYADDITION; ALKYL CHAIN-LENGTH; PHYSICOCHEMICAL PROPERTIES;
TRANSPORT-PROPERTIES; CATION; WATER; SALTS
AB A systematic study was performed on two triazolium ionic liquid isomers which included examination of thermal, physical, and electrochemical properties. It was found that a minor change in structure significantly influences physical and thermal properties of ionic liquids.
C1 [Watkins, John D.; Roth, Elliot A.; Lartey, Michael; Albenze, Erik; Luebke, David R.; Nulwala, Hunaid B.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[Albenze, Erik] URS Corp, South Pk, PA USA.
[Zhong, Mingjiang] MIT, Dept Chem, Cambridge, MA 02139 USA.
[Zhong, Mingjiang] MIT, Dept Chem Engn, Cambridge, MA 02139 USA.
[Nulwala, Hunaid B.] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA.
RP Nulwala, HB (reprint author), US DOE, Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA.
RI Zhong, Mingjiang/F-3470-2011;
OI Zhong, Mingjiang/0000-0001-7533-4708; Nulwala,
Hunaid/0000-0001-7481-3723
FU U.S. Department of Energy's National Energy Technology Laboratory
[DE-FE0004000]
FX This technical effort was performed in support of the U.S. Department of
Energy's National Energy Technology Laboratory's on-going research on
CO2 capture under the contract DE-FE0004000.
NR 27
TC 3
Z9 3
U1 1
U2 12
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 2015
VL 39
IS 3
BP 1563
EP 1566
DI 10.1039/c4nj01220h
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA CD2HJ
UT WOS:000350896000002
ER
PT J
AU Mitchell, E
Jimenez, A
Gupta, RK
Gupta, BK
Ramasamy, K
Shahabuddin, M
Mishra, SR
AF Mitchell, Elias
Jimenez, Ashley
Gupta, Ram K.
Gupta, Bipin Kumar
Ramasamy, Karthik
Shahabuddin, Mohammad
Mishra, Sanjay R.
TI Ultrathin porous hierarchically textured NiCo2O4-graphene oxide flexible
nanosheets for high-performance supercapacitors
SO NEW JOURNAL OF CHEMISTRY
LA English
DT Article
ID HIGH SPECIFIC CAPACITANCE; NITROGEN-DOPED GRAPHENE; ELECTRODE MATERIALS;
ELECTROCHEMICAL CAPACITORS; NANOSTRUCTURED CO3O4; FACILE SYNTHESIS;
ENERGY-STORAGE; SOLAR-CELLS; NI FOAM; COMPOSITES
AB The ultimate goal of supercapacitor research industries is to develop devices which could be used as flexible, portable, ultrathin and highly-efficient power sources. However, the bulk NiCo2O4 materials prevent the achievement of high energy density as well as immense rate performance due to the limited electroactive surface area. In this work, we proposed a new breakthrough strategy to develop highly porous hierarchical flexible nanosheets of NiCo2O4-graphene oxide (NiCo2O4-GO) on nickel foam by a facile electrochemical deposition method. The morphogenesis of the NiCo2O4-GO hybrid nanostructure-based electrode exhibits hierarchical porous flexible nanosheet-like structures. The electrochemical properties of these electrodes were investigated by cyclic voltammetry and galvanostatic charge-discharge measurements in 3 M KOH electrolyte. The obtained results exhibit that this new hybrid nanostructure has a specific capacitance of 1078 F g(-1) at a discharge current of 1 mA with great cyclic stability. These excellent capacitive performances of NiCo2O4-GO can be attributed to its hierarchical porous nanosheet-like unique structure. This unique structure provides efficient ion transport that is highly desirable for superior rate capability and excellent cycling stability. Hence, our method provides a promising facile and binder-free nanostructure electrode for next generation high-performance supercapacitor applications.
C1 [Mitchell, Elias; Jimenez, Ashley; Gupta, Ram K.] Pittsburg State Univ, Dept Chem, Pittsburg, KS 66762 USA.
[Gupta, Bipin Kumar] CSIR, Natl Phys Lab, New Delhi 110012, India.
[Ramasamy, Karthik] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
[Shahabuddin, Mohammad; Mishra, Sanjay R.] Univ Memphis, Dept Phys, Memphis, TN 38152 USA.
RP Gupta, RK (reprint author), Pittsburg State Univ, Dept Chem, 1701 S Broadway, Pittsburg, KS 66762 USA.
EM ramguptamsu@gmail.com
FU Pittsburg State University; National Science Foundation [EPS-0903806]
FX Authors wish to thank Pittsburg State University for providing financial
support. This material is based upon work supported by the National
Science Foundation under Award No. EPS-0903806 and matching support from
the State of Kansas through the Kansas Board of Regents. Authors also
wish to thank Integrated Microscopy Center at the University of Memphis
for providing FE-SEM facility.
NR 63
TC 14
Z9 14
U1 11
U2 90
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 2015
VL 39
IS 3
BP 2181
EP 2187
DI 10.1039/c4nj02110j
PG 7
WC Chemistry, Multidisciplinary
SC Chemistry
GA CD2HJ
UT WOS:000350896000065
ER
PT J
AU Zhao, JL
Tomiyasu, H
Ni, XL
Zeng, X
Elsegood, MRJ
Redshaw, C
Rahman, S
Georghiou, PE
Teat, SJ
Yamato, T
AF Zhao, Jiang-Lin
Tomiyasu, Hirotsugu
Ni, Xin-Long
Zeng, Xi
Elsegood, Mark R. J.
Redshaw, Carl
Rahman, Shofiur
Georghiou, Paris E.
Teat, Simon J.
Yamato, Takehiko
TI The first study about the relationship between the extractability of
thiacalix[4]arene derivatives and the position of the coordination
binding sites
SO ORGANIC & BIOMOLECULAR CHEMISTRY
LA English
DT Article
ID BEARING IMIDAZOLE UNITS; INCLUSION PROPERTIES; DICHROMATE ANION;
MAGNETITE NANOPARTICLES; EXTRACTION PROPERTIES; CYCLIC POLYETHERS;
METAL-SALTS; COMPLEXES; TRANSITION; ALKALI
AB Three organic ionophores (2-4) based on the p-tert-butylthiacalix[4] arene backbone, blocked in the 1,3-alternate conformation, bearing two pyridyl coordinating moieties (ortho for 2, meta for 3 and para for 4), have been synthesized and characterized in the solid state. The solvent extraction experiments with the metal ions showed that the ability of these derivatives to complex with Ag+ appeared to be largely dependent on the position of the nitrogen atoms of the pyridyl ring. Two different complexation modes have been confirmed by H-1 NMR titration. Ionophore 2 armed with two pyridyl moieties, complexed with Ag+ cation through N center dot center dot center dot Ag+center dot center dot center dot S interactions; however, ionophore 3 and ionophore 4 complexed with Ag+ through metal-nitrogen (N center dot center dot center dot Ag+) interactions. The DFT computational studies were consistent with the experimental findings. These findings will provide us with an important rule to design an appropriate thiacalix[4] arene ionophore in the future. Another study on the possibility for application of ionophores 2-4 for the treatment of waste water containing Cr(VI) and Cr(III), showed that ionophore 3 was useful in the application of the solvent extraction method in selective treatment of waste water containing Cr(VI) and Cr(III) prior to discharge.
C1 [Zhao, Jiang-Lin; Tomiyasu, Hirotsugu; Yamato, Takehiko] Saga Univ, Fac Sci & Engn, Dept Appl Chem, Saga 8408502, Japan.
[Ni, Xin-Long; Zeng, Xi] Guizhou Univ, Dept Key Lab Macrocycl & Supramol Chem Guizhou Pr, Guiyang 550025, Guizhou, Peoples R China.
[Elsegood, Mark R. J.] Univ Loughborough, Dept Chem, Loughborough LE11 3TU, Leics, England.
[Redshaw, Carl] Univ Hull, Dept Chem, Kingston Upon Hull HU6 7RX, Yorks, England.
[Rahman, Shofiur; Georghiou, Paris E.] Mem Univ Newfoundland, Dept Chem, St John, NF A1B 3X7, Canada.
[Teat, Simon J.] Berkeley Lab, ALS, Berkeley, CA 94720 USA.
RP Yamato, T (reprint author), Saga Univ, Fac Sci & Engn, Dept Appl Chem, Honjo Machi 1, Saga 8408502, Japan.
EM yamatot@cc.saga-u.ac.jp
RI Redshaw, Carl/C-5644-2009
OI Redshaw, Carl/0000-0002-2090-1688
FU OTEC at Saga University; International Cooperation Projects of Guizhou
Province, The Royal Society of Chemistry [20137002]; EPSRC; Office of
Science, Office of Basic Energy Sciences, of the U.S. Department of
Energy [DE-AC02-05CH11231]
FX This work was performed under the Cooperative Research Program of
"Network Joint Research Center for Materials and Devices (Institute for
Materials Chemistry and Engineering, Kyushu University)". We would like
to thank the OTEC at Saga University and the International Cooperation
Projects of Guizhou Province (no. 20137002), The Royal Society of
Chemistry for financial support and the EPSRC for an overseas travel
grant to C.R. The Advanced Light Source is supported by the Director,
Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231.
NR 47
TC 3
Z9 3
U1 1
U2 9
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-0520
EI 1477-0539
J9 ORG BIOMOL CHEM
JI Org. Biomol. Chem.
PY 2015
VL 13
IS 11
BP 3476
EP 3483
DI 10.1039/c4ob02393e
PG 8
WC Chemistry, Organic
SC Chemistry
GA CD4OK
UT WOS:000351062700039
PM 25666118
ER
PT S
AU Aytac, Y
Olson, BV
Kim, JK
Shaner, EA
Hawkins, SD
Klem, JF
Flatte, ME
Boggess, TF
AF Aytac, Y.
Olson, B. V.
Kim, J. K.
Shaner, E. A.
Hawkins, S. D.
Klem, J. F.
Flatte, M. E.
Boggess, T. F.
BE Razeghi, M
Tournie, E
Brown, GJ
TI Temperature dependent carrier lifetime measurements of InAs/InAsSb T2SLs
SO QUANTUM SENSING AND NANOPHOTONIC DEVICES XII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Quantum Sensing and Nanophotonic Devices XII
CY FEB 08-12, 2015
CL San Francisco, CA
SP SPIE
DE InAs/InAsSb; Lifetime; T2SLs
ID SUPERLATTICES
AB Temperature dependent measurements of carrier recombination rates using a time-resolved pump-probe technique are reported for mid-wave infrared InAs/InAsSb type-2 superlattices (T2SLs). By engineering the layer widths and alloy compositions a 16 K band-gap of similar to 235 +/- 10meV was achieved for four doped and five undoped T2SLs. Carrier lifetimes were determined by fitting lifetime models of Shockley-Read-Hall (SRH), radiative, and Auger recombination processes simultaneously to the temperature and excess carrier density dependent data. The contribution of each recombination process at a given temperature is identified and the total lifetime is determined over a range of excess carrier densities. The minority carrier and Auger lifetimes were observed to increase with increasing antimony content and decreasing layer thickness for the undoped T2SLs. It is hypothesized that a reduction in SRH recombination centers or a shift in the SRH defect energy relative to the T2SL band edges is the cause of this increase in the SRH minority carrier lifetime. The lower Auger coefficients are attributed to a reduced number of final Auger states in the SL samples with greater antimony content. An Auger limited minority carrier lifetime is observed for the doped T2SLs, and it is found to be a factor of ten shorter than for undoped T2SLs. The Auger rates for all the InAs/InAsSb T2SLs were significantly larger than those previously reported for InAs/GaSb T2SLs.
C1 [Aytac, Y.; Flatte, M. E.; Boggess, T. F.] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA.
[Aytac, Y.; Flatte, M. E.; Boggess, T. F.] Univ Iowa, Opt Sci & Technol Ctr, Iowa City, IA 52242 USA.
[Olson, B. V.; Kim, J. K.; Shaner, E. A.; Hawkins, S. D.; Klem, J. F.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Aytac, Y (reprint author), Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA.
EM yigit-aytac@uiowa.edu; benolso@sandia.gov
NR 18
TC 1
Z9 1
U1 4
U2 20
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-460-8
J9 PROC SPIE
PY 2015
VL 9370
AR 93700J
DI 10.1117/12.2077753
PG 8
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BC1NA
UT WOS:000350275500011
ER
PT S
AU Haglund, RF
Weiss, SM
Appavoo, K
AF Haglund, Richard F., Jr.
Weiss, Sharon M.
Appavoo, Kannatassen
BE Razeghi, M
Tournie, E
Brown, GJ
TI Photonic and plasmonic modulators based on optical switching in VO2
SO QUANTUM SENSING AND NANOPHOTONIC DEVICES XII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Quantum Sensing and Nanophotonic Devices XII
CY FEB 08-12, 2015
CL San Francisco, CA
SP SPIE
DE Vanadium dioxide; silicon; insulator-to-metal transition; gold plasmon
resonance; hybrid ring resonator; heterodimer nanomodulator; electron
beam lithography; ultrafast phase transition
ID PULSED-LASER DEPOSITION; METAL-INSULATOR TRANSITIONS; DIOXIDE
THIN-FILMS; PHASE-TRANSITION; ACTIVE PLASMONICS; SILICON; SEMICONDUCTOR;
NANOPARTICLES; NANOANTENNA; TEMPERATURE
AB Researchers all over the world are competing in a technology-driven quest to develop the next generation of ultrasmall, low-power photonic and plasmonic devices. One route to this objective involves hybrid structures that incorporate a phase-changing material into the structure, creating a nanocomposite material in which the optical response of a plasmonic or photonic structure is modulated by a change in phase, crystallinity or dielectric function induced by thermal, optical or electrical stimulus. Vanadium dioxide (VO2) has been considered as a potential electro-optic switching material for electronic and photonic applications ever since its semiconductor-to-metal transition (SMT) was first described half a century ago. This review describes the application of vanadium dioxide as the switching element in (i) a hybrid silicon ring resonator and (ii) a polarization-sensitive, multifunctional plasmonic modulator in the form of a nanoscale heterodimer. As is now widely known, the SMT in VO2 is also accompanied by a structural phase transition (SPT) from the M1 (monoclinic) to a rutile (tetragonal, R) crystalline form that was believed to prevent a fast recovery after switching. However, recent research has shown that this picture is oversimplified, and that there is a monoclinic metallic state that enables true ultrafast switching. That understanding, in turn, is leading to new concepts in developing hybrid nanocomposites that incorporate VO2 in silicon photonics and plasmonic modulators, enabling the construction of ultrafast optical switches, modulators and memory elements.
C1 [Haglund, Richard F., Jr.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA.
[Weiss, Sharon M.] Vanderbilt Univ, Dept Elect & Comp Sci, Nashville, TN 37235 USA.
[Appavoo, Kannatassen] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11793 USA.
RP Haglund, RF (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA.
NR 60
TC 0
Z9 0
U1 3
U2 30
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-460-8
J9 PROC SPIE
PY 2015
VL 9370
AR 93701C
DI 10.1117/12.2083422
PG 12
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BC1NA
UT WOS:000350275500037
ER
PT S
AU Mitrofanov, O
Dominec, F
Kuzel, P
Reno, JL
Brener, I
Chung, UC
Elissalde, C
Maglione, M
Mounaix, P
AF Mitrofanov, Oleg
Dominec, Filip
Kuzel, Petr
Reno, John L.
Brener, Igal
Chung, U-Chan
Elissalde, Cathy
Maglione, Mario
Mounaix, Patrick
BE Razeghi, M
Tournie, E
Brown, GJ
TI Magnetic dipole and electric dipole resonances in TiO2 microspheres at
terahertz frequencies
SO QUANTUM SENSING AND NANOPHOTONIC DEVICES XII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Quantum Sensing and Nanophotonic Devices XII
CY FEB 08-12, 2015
CL San Francisco, CA
SP SPIE
DE Terahertz; metamaterials; dielectric resonator; near-field imaging; Mie
mode; TiO2 micro-sphere; Fano line-shape; THz spectroscopy
AB In a non-magnetic dielectric sphere of high-permittivity (epsilon > 20), effective magnetic response occurs as a result of the 1st Mie mode, known as the magnetic dipole resonance. This resonance produces a similar effect as split ring resonators, making it possible to use dielectric spheres as metamaterial components. In the terahertz (THz) part of the spectrum, where dielectrics with epsilon similar to 100 can be found, all-dielectric metamaterials can potentially reduce absorption and provide isotropic and polarization-independent properties. In this contribution, we discuss TiO2 micro-spheres, similar to 1/10 of the wavelength in diameter. Such spheres are expected to support the magnetic and electric dipole resonances. To detect these resonances in a single TiO2 microsphere we use THz near-field microscopy with the sub-wavelength size aperture probe. This method allows detection of Mie resonances in single sub-wavelength spheres. Fano-type line-shape is observed in the near-field amplitude and phase spectra. The narrow line-width of the magnetic resonance and the sub-wavelength size of the TiO2 microspheres make them excellent candidates for realizing low-loss THz metamaterials.
C1 [Mitrofanov, Oleg] UCL, Dept Elect & Elect Engn, London WC1E 7JE, England.
[Mitrofanov, Oleg; Reno, John L.; Brener, Igal] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA.
[Dominec, Filip; Kuzel, Petr] Acad Sci Czech Republic, Prague 18221, Czech Republic.
[Reno, John L.; Brener, Igal] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Chung, U-Chan; Elissalde, Cathy; Maglione, Mario] Univ Bordeaux, CNRS, ICMCB, UPR 9048, F-33600 Pessac, France.
[Mounaix, Patrick] Univ Bordeaux, CNRS, UMR 5798, LOMA, F-33405 Talence, France.
RP Mitrofanov, O (reprint author), UCL, Dept Elect & Elect Engn, London WC1E 7JE, England.
EM o.mitrofanov@ucl.ac.uk
RI Kuzel, Petr/G-6006-2014; Mitrofanov, Oleg/C-1938-2008
OI Mitrofanov, Oleg/0000-0003-3510-2675
NR 5
TC 0
Z9 0
U1 4
U2 24
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-460-8
J9 PROC SPIE
PY 2015
VL 9370
AR 937005
DI 10.1117/12.2079734
PG 6
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BC1NA
UT WOS:000350275500002
ER
PT S
AU Phillips, MC
Taubman, MS
Kriesel, J
AF Phillips, Mark C.
Taubman, Matthew S.
Kriesel, Jason
BE Razeghi, M
Tournie, E
Brown, GJ
TI Use of external cavity quantum cascade laser compliance voltage in
real-time trace gas sensing of multiple chemicals
SO QUANTUM SENSING AND NANOPHOTONIC DEVICES XII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Quantum Sensing and Nanophotonic Devices XII
CY FEB 08-12, 2015
CL San Francisco, CA
SP SPIE
DE Infrared spectroscopy; quantum cascade laser; tunable laser; gas sensing
ID ATMOSPHERIC AMMONIA MEASUREMENTS; OPEN-PATH; SPECTROSCOPY; SENSOR;
SPECTROMETER; CALIBRATION; EMISSION
AB We describe a prototype trace gas sensor designed for real-time detection of multiple chemicals. The sensor uses an external cavity quantum cascade laser (ECQCL) swept over its tuning range of 940-1075 cm-1 (9.30-10.7 mu m) at a 10 Hz repetition rate. The sensor was designed for operation in multiple modes, including gas sensing within a multi-pass Heriott cell and intracavity absorption sensing using the ECQCL compliance voltage. In addition, the ECQCL compliance voltage was used to reduce effects of long-term drifts in the ECQCL output power. The sensor was characterized for noise, drift, and detection of chemicals including ammonia, methanol, ethanol, isopropanol, Freon-134a, Freon-152a, and diisopropyl methylphosphonate (DIMP). We also present use of the sensor for mobile detection of ammonia downwind of cattle facilities, in which concentrations were recorded at 1-s intervals.
C1 [Phillips, Mark C.; Taubman, Matthew S.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Kriesel, Jason] OKSI, Torrance, CA 90502 USA.
RP Phillips, MC (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA.
NR 29
TC 2
Z9 2
U1 0
U2 9
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-460-8
J9 PROC SPIE
PY 2015
VL 9370
AR 93700Z
DI 10.1117/12.2080852
PG 14
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BC1NA
UT WOS:000350275500024
ER
PT J
AU Li, WB
Klein, W
Blanchardon, E
Puncher, M
Leggett, RW
Oeh, U
Breustedt, B
Nosske, D
Lopez, MA
AF Li, W. B.
Klein, W.
Blanchardon, E.
Puncher, M.
Leggett, R. W.
Oeh, U.
Breustedt, B.
Nosske, D.
Lopez, M. A.
TI Parameter uncertainty analysis of a biokinetic model of caesium
SO RADIATION PROTECTION DOSIMETRY
LA English
DT Article
ID ICRPS DOSE COEFFICIENTS; INTERNAL DOSIMETRY; TRACT MODEL; RELIABILITY;
ZIRCONIUM; PREDICTIONS; EXPOSURE; MEMBERS; HUMANS
AB Parameter uncertainties for the biokinetic model of caesium (Cs) developed by Leggett et al. were inventoried and evaluated. The methods of parameter uncertainty analysis were used to assess the uncertainties of model predictions with the assumptions of model parameter uncertainties and distributions. Furthermore, the importance of individual model parameters was assessed by means of sensitivity analysis. The calculated uncertainties of model predictions were compared with human data of Cs measured in blood and in the whole body. It was found that propagating the derived uncertainties in model parameter values reproduced the range of bioassay data observed in human subjects at different times after intake. The maximum ranges, expressed as uncertainty factors (UFs) (defined as a square root of ratio between 97.5th and 2.5th percentiles) of blood clearance, whole-body retention and urinary excretion of Cs predicted at earlier time after intake were, respectively: 1.5, 1.0 and 2.5 at the first day; 1.8, 1.1 and 2.4 at Day 10 and 1.8, 2.0 and 1.8 at Day 100; for the late times (1000 d) after intake, the UFs were increased to 43, 24 and 31, respectively. The model parameters of transfer rates between kidneys and blood, muscle and blood and the rate of transfer from kidneys to urinary bladder content are most influential to the blood clearance and to the whole-body retention of Cs. For the urinary excretion, the parameters of transfer rates from urinary bladder content to urine and from kidneys to urinary bladder content impact mostly. The implication and effect on the estimated equivalent and effective doses of the larger uncertainty of 43 in whole-body retention in the later time, say, after Day 500 will be explored in a successive work in the framework of EURADOS.
C1 [Li, W. B.; Oeh, U.] German Res Ctr Environm Hlth GmbH, Helmholtz Zentrum Munchen, HMGU Res Unit Med Radiat Phys & Diagnost, D-85764 Neuherberg, Germany.
[Klein, W.] Karlsruhe Inst Technol, KIT Inst Nucl Waste Disposal, D-76344 Eggenstein Leopoldshafen, Germany.
[Blanchardon, E.] PRP HOM SDI LEDI, IRSN Internal Dose Assessment Lab, F-92262 Fontenay Aux Roses, France.
[Puncher, M.] Publ Hlth England, Ctr Radiat Chem & Environm Hazards, PHE Dept Toxicol, Didcot OX11 0RQ, Oxon, England.
[Leggett, R. W.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
[Breustedt, B.] Karlsruhe Inst Technol, KIT Safety Management, D-76344 Eggenstein Leopoldshafen, Germany.
[Nosske, D.] BfS Dept Radiat Protect & Hlth, D-85764 Oberschleissheim, Germany.
[Lopez, M. A.] CIEMAT Dosimetria Interna, Dept Medio Ambiente, Madrid 28040, Spain.
RP Li, WB (reprint author), German Res Ctr Environm Hlth GmbH, Helmholtz Zentrum Munchen, HMGU Res Unit Med Radiat Phys & Diagnost, D-85764 Neuherberg, Germany.
EM wli@helmholtz-muenchen.de
FU EURADOS e.V.; German Federal Ministry of Education and Research (BMBF)
[NUK002B, 02NUK015B]
FX This work was supported by the EURADOS e.V. (www.eurados.org) and was
partially supported by the German Federal Ministry of Education and
Research (BMBF) with contract number NUK002B (KVSFI) and 02NUK015B (KVSF
II).
NR 47
TC 5
Z9 5
U1 1
U2 5
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0144-8420
EI 1742-3406
J9 RADIAT PROT DOSIM
JI Radiat. Prot. Dosim.
PD JAN
PY 2015
VL 163
IS 1
BP 37
EP 57
DI 10.1093/rpd/ncu055
PG 21
WC Environmental Sciences; Public, Environmental & Occupational Health;
Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical
Imaging
SC Environmental Sciences & Ecology; Public, Environmental & Occupational
Health; Nuclear Science & Technology; Radiology, Nuclear Medicine &
Medical Imaging
GA CC1QK
UT WOS:000350116300005
PM 24743755
ER
PT J
AU Chen, Y
Jakeman, J
Gittelson, C
Xiu, DB
AF Chen, Yi
Jakeman, John
Gittelson, Claude
Xiu, Dongbin
TI LOCAL POLYNOMIAL CHAOS EXPANSION FOR LINEAR DIFFERENTIAL EQUATIONS WITH
HIGH DIMENSIONAL RANDOM INPUTS
SO SIAM JOURNAL ON SCIENTIFIC COMPUTING
LA English
DT Article
DE generalized polynomial chaos; domain decomposition; stochastic
differential equation; uncertainty quantification
ID FINITE-ELEMENTS; EPISTEMIC UNCERTAINTY; NUMERICAL APPROACH; COLLOCATION
METHOD; ELLIPTIC PROBLEMS; DIFFUSION; QUANTIFICATION; DECOMPOSITION;
SCHEMES
AB In this paper we present a localized polynomial chaos expansion for partial differential equations (PDE) with random inputs. In particular, we focus on time independent linear stochastic problems with high dimensional random inputs, where the traditional polynomial chaos methods, and most of the existing methods, incur prohibitively high simulation cost. The local polynomial chaos method employs a domain decomposition technique to approximate the stochastic solution locally. In each subdomain, a subdomain problem is solved independently and, more importantly, in a much lower dimensional random space. In a postprocesing stage, accurate samples of the original stochastic problems are obtained from the samples of the local solutions by enforcing the correct stochastic structure of the random inputs and the coupling conditions at the interfaces of the subdomains. Overall, the method is able to solve stochastic PDEs in very large dimensions by solving a collection of low dimensional local problems and can be highly efficient. In this paper we present the general mathematical framework of the methodology and use numerical examples to demonstrate the properties of the method.
C1 [Chen, Yi] Purdue Univ, Dept Math, W Lafayette, IN 47907 USA.
[Jakeman, John] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Gittelson, Claude] ETH, CH-8092 Zurich, Switzerland.
[Xiu, Dongbin] Univ Utah, Dept Math & Sci Comp & Imaging Inst, Salt Lake City, UT 84112 USA.
RP Xiu, DB (reprint author), Univ Utah, Dept Math & Sci Comp & Imaging Inst, Salt Lake City, UT 84112 USA.
EM chen411@purdue.edu; jdjakem@sandia.gov;
claude.gittelson@sam.math.ethz.ch; dongbin.xiu@utah.edu
FU AFOSR; DOE; NSF; U.S. Department of Energy, Office of Science, Office of
Advanced Scientific Computing Research, Applied Mathematics program;
U.S. Department of Energy National Nuclear Security Administration
[DE-AC04-94AL85000]
FX This work was partly supported by AFOSR, DOE, and NSF.; This author's
work was supported by the U.S. Department of Energy, Office of Science,
Office of Advanced Scientific Computing Research, Applied Mathematics
program. Sandia National Laboratories is a multiprogram laboratory
managed and operated by Sandia Corporation, a wholly owned subsidiary of
Lockheed Martin Corporation, for the U.S. Department of Energy National
Nuclear Security Administration under contract DE-AC04-94AL85000.
NR 40
TC 5
Z9 5
U1 0
U2 1
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 2015
VL 37
IS 1
BP A79
EP A102
DI 10.1137/140970100
PG 24
WC Mathematics, Applied
SC Mathematics
GA CD6PA
UT WOS:000351210200004
ER
PT J
AU Osei-Kuffuor, D
Li, RP
Saad, Y
AF Osei-Kuffuor, Daniel
Li, Ruipeng
Saad, Yousef
TI MATRIX REORDERING USING MULTILEVEL GRAPH COARSENING FOR ILU
PRECONDITIONING
SO SIAM JOURNAL ON SCIENTIFIC COMPUTING
LA English
DT Article
DE incomplete factorization preconditioners; algebraic preconditioners; ILU
preconditioners; sparse matrix reordering; multilevel graph coarsening
ID INCOMPLETE LU FACTORIZATIONS; DEGREE ORDERING ALGORITHM; SMOOTHED
AGGREGATION; COMPATIBLE RELAXATION; NONSYMMETRIC PROBLEMS; CONJUGATE
GRADIENTS; HELMHOLTZ-EQUATION; ITERATIVE SOLUTION; ELLIPTIC PROBLEMS;
SPARSE MATRICES
AB Incomplete LU factorization (ILU) techniques are a well-known class of preconditioners, often used in conjunction with Krylov accelerators for the iterative solution of linear systems of equations. However, for certain problems, ILU factorizations can yield factors that are unstable and in some cases quite dense. Reordering techniques based on permuting the matrix prior to performing the factorization have been shown to improve the quality of the factorization, and the resulting preconditioner. In this paper, we examine the effect of reordering techniques based on multilevel graph coarsening ideas on one-level ILU factorizations, such as the level-based ILU(k) or the dual threshold ILUT algorithms. We consider an aggregation-based coarsening idea that implements two main coarsening frameworks-a top-down approach, and a bottom-up approach-each utilizing one of two different strategies to select the next-level coarse graph. Numerical results are presented to support our findings.
C1 [Osei-Kuffuor, Daniel] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA.
[Li, Ruipeng; Saad, Yousef] Univ Minnesota, Dept Comp Sci & Engn, Minneapolis, MN 55455 USA.
RP Osei-Kuffuor, D (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, L-561, Livermore, CA 94551 USA.
EM oseikuffuor1@llnl.gov; rli@cs.umn.edu; saad@cs.umn.edu
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; NSF [NSF/DMS-1216366]; Minnesota Supercomputer
Institute
FX The work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under contract
DE-AC52-07NA27344.; Work supported by NSF under grant NSF/DMS-1216366
and by the Minnesota Supercomputer Institute.
NR 75
TC 1
Z9 1
U1 0
U2 3
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 2015
VL 37
IS 1
BP A391
EP A419
DI 10.1137/130936610
PG 29
WC Mathematics, Applied
SC Mathematics
GA CD6PA
UT WOS:000351210200017
ER
PT J
AU Tumblin, R
Ahrens, P
Hartse, S
Robey, RW
AF Tumblin, Rebecka
Ahrens, Peter
Hartse, Sara
Robey, Robert W.
TI PARALLEL COMPACT HASH ALGORITHMS FOR COMPUTATIONAL MESHES
SO SIAM JOURNAL ON SCIENTIFIC COMPUTING
LA English
DT Article
DE hashing; compact hash; parallel computing; AMR; GPU; cell-based adoptive
mesh refinement
ID UNIVERSAL CLASSES; SCATTER STORAGE; FLUID-DYNAMICS; REFINEMENT;
EQUATIONS; CODE
AB We employ compact hashing and the discrete properties of computational meshes to optimize spatial operations in scientific computing applications. Our target is to develop highly parallel compact hashing methods suitable for the fine-grained parallelism of GPU and MIC architectures that will scale to the next generation of computing systems. As a model, we apply spatial hashing methods to the problem of determining neighbor elements in adaptive mesh refinement (AMR) schemes. By applying memory savings techniques, we extend the perfect spatial hash algorithm to a compact hash by compressing the resulting sparse data structures. Using compact hashing and specific memory optimizations, we increase the range of problems that can benefit from our ideal O(n) algorithms. The spatial hash methods are tested and compared across a variety of architectures on both a randomly generated sample mesh and an existing cell-based AMR shallow-water hydrodynamics scheme. We demonstrate consistent speed-up and increased performance across every device tested and explore the ubiquitous application of spatial hashing in scientific computing.
C1 [Tumblin, Rebecka; Ahrens, Peter; Hartse, Sara; Robey, Robert W.] Los Alamos Natl Lab, Eulerian Applicat Grp XCP 2, Los Alamos, NM 87545 USA.
[Tumblin, Rebecka] Univ Oregon, Inst Theoret Sci, Eugene, OR 97403 USA.
[Ahrens, Peter] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94709 USA.
[Hartse, Sara] Brown Univ, Dept Comp Sci, Providence, RI 02912 USA.
RP Tumblin, R (reprint author), Los Alamos Natl Lab, Eulerian Applicat Grp XCP 2, Los Alamos, NM 87545 USA.
EM rtumblin@uoregon.edu; ptrahrens@gmail.com; sara.hartse@gmail.com;
brobey@lanl.gov
FU Los Alamos National Laboratory Director's Office; National Nuclear
Security Administration of the U.S. Department of Energy
[DE-AC52-06NA25396]
FX This work was partially supported by the Los Alamos National Laboratory
Director's Office. Los Alamos National Laboratory is operated by Los
Alamos National Security, LLC, for the National Nuclear Security
Administration of the U.S. Department of Energy under contract
DE-AC52-06NA25396.
NR 26
TC 0
Z9 0
U1 2
U2 6
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 2015
VL 37
IS 1
BP C31
EP C53
DI 10.1137/13093371X
PG 23
WC Mathematics, Applied
SC Mathematics
GA CD6PA
UT WOS:000351210200030
ER
PT S
AU Agranovsky, A
Camp, D
Joy, KI
Childs, H
AF Agranovsky, Alexy
Camp, David
Joy, Kenneth I.
Childs, Hank
BE Kao, DL
Hao, MC
Livingston, MA
Wischgoll, T
TI Subsampling-Based Compression and Flow Visualization
SO VISUALIZATION AND DATA ANALYSIS 2015
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT 22nd Annual IS and T/SPIE Conference on Visualization and Data Analysis
(VDA)
CY FEB 09-11, 2015
CL San Francisco, CA
SP Soc Imaging Sci & Technol, SPIE, Kitware Inc
DE In Situ; Sub-Sampling; Compression; Adaptive Budget; Flow Visualization
ID QUERY-DRIVEN VISUALIZATION; TIME-VARYING DATA; 2D VECTOR-FIELDS
AB As computational capabilities increasingly outpace disk speeds on leading supercomputers, scientists will, in turn, be increasingly unable to save their simulation data at its native resolution. One solution to this problem is to compress these data sets as they are generated and visualize the compressed results afterwards. We explore this approach, specifically subsampling velocity data and the resulting errors for particle advection-based flow visualization. We compare three techniques: random selection of subsamples, selection at regular locations corresponding to multi-resolution reduction, and introduce a novel technique for informed selection of subsamples. Furthermore, we explore an adaptive system which exchanges the subsampling budget over parallel tasks, to ensure that subsampling occurs at the highest rate in the areas that need it most. We perform supercomputing runs to measure the effectiveness of the selection and adaptation techniques. Overall, we find that adaptation is very effective, and, among selection techniques, our informed selection provides the most accurate results, followed by the multi-resolution selection, and with the worst accuracy coming from random subsamples.
C1 [Agranovsky, Alexy; Joy, Kenneth I.] Univ Calif Davis, Davis, CA 95616 USA.
[Agranovsky, Alexy; Camp, David; Childs, Hank] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Childs, Hank] Univ Oregon, Eugene, OR 97403 USA.
RP Agranovsky, A (reprint author), Univ Calif Davis, 1 Shields Ave, Davis, CA 95616 USA.
EM aagranovsky@ucdavis.edu; dcamp@lbl.gov; kijoy@ucdavis.edu;
hchilds@uoregon.edu
NR 26
TC 0
Z9 0
U1 0
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-487-5
J9 PROC SPIE
PY 2015
VL 9397
AR 93970J
DI 10.1117/12.2083251
PG 14
WC Computer Science, Theory & Methods; Engineering, Electrical &
Electronic; Optics
SC Computer Science; Engineering; Optics
GA BC1NC
UT WOS:000350276200018
ER
PT S
AU Nugent, P
Cao, Y
Kasliwal, M
AF Nugent, Peter
Cao, Yi
Kasliwal, Mansi
BE Kao, DL
Hao, MC
Livingston, MA
Wischgoll, T
TI The Palomar Transient Factory
SO VISUALIZATION AND DATA ANALYSIS 2015
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT 22nd Annual IS and T/SPIE Conference on Visualization and Data Analysis
(VDA)
CY FEB 09-11, 2015
CL San Francisco, CA
SP Soc Imaging Sci & Technol, SPIE, Kitware Inc
DE Image Processing; Transient Detection; Machine Learning; Workflows
ID DISCOVERY; REDSHIFT
AB Astrophysics is transforming from a data-starved to a data-swamped discipline, fundamentally changing the nature of scientific inquiry and discovery. New technologies are enabling the detection, transmission, and storage of data of hitherto unimaginable quantity and quality across the electromagnetic, gravity and particle spectra. The observational data obtained during this decade alone will supersede everything accumulated over the preceding four thousand years of astronomy. Currently there are 4 large-scale photometric and spectroscopic surveys underway, each generating and/or utilizing hundreds of terabytes of data per year. Some will focus on the static universe while others will greatly expand our knowledge of transient phenomena. Maximizing the science from these programs requires integrating the processing pipeline with high-performance computing resources. These are coupled to large astrophysics databases while making use of machine learning algorithms with near real-time turnaround. Here we present an overview of one of these programs, the Palomar Transient Factory (PTF). We will cover the processing and discovery pipeline we developed at LBNL and NERSC for it and several of the great discoveries made during the 4 years of observations with PTF.
C1 [Nugent, Peter] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Cosmol Ctr, Berkeley, CA 94720 USA.
[Nugent, Peter] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA.
[Cao, Yi; Kasliwal, Mansi] CALTECH, Dept Astron, Pasadena, CA 91125 USA.
[Kasliwal, Mansi] Carnegie Inst Sci, Observ, Pasadena, CA 91101 USA.
RP Nugent, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Cosmol Ctr, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM penugent@LBL.gov
NR 9
TC 0
Z9 0
U1 0
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-487-5
J9 PROC SPIE
PY 2015
VL 9397
AR 939702
DI 10.1117/12.2085383
PG 7
WC Computer Science, Theory & Methods; Engineering, Electrical &
Electronic; Optics
SC Computer Science; Engineering; Optics
GA BC1NC
UT WOS:000350276200002
ER
PT J
AU Billinge, SJL
Miao, JW
AF Billinge, Simon J. L.
Miao, Jianwei
TI Celebrating the past, looking to the future
SO ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
LA English
DT Editorial Material
C1 [Billinge, Simon J. L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
[Billinge, Simon J. L.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
[Miao, Jianwei] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA.
[Miao, Jianwei] Univ Calif Los Angeles, Calif NanoSyst Inst, Los Angeles, CA 90095 USA.
RP Billinge, SJL (reprint author), Columbia Univ, Dept Appl Phys & Appl Math, 200 Mudd,500 W 120th St, New York, NY 10027 USA.
NR 1
TC 4
Z9 4
U1 2
U2 9
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0108-7673
EI 1600-5724
J9 ACTA CRYSTALLOGR A
JI Acta Crystallogr. Sect. A
PD JAN
PY 2015
VL 71
BP 1
EP 2
DI 10.1107/S2053273314027685
PN 1
PG 2
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA CC7KB
UT WOS:000350545100001
PM 25537382
ER
PT J
AU Ramadhar, TR
Zheng, SL
Chen, YS
Clardy, J
AF Ramadhar, Timothy R.
Zheng, Shao-Liang
Chen, Yu-Sheng
Clardy, Jon
TI Analysis of rapidly synthesized guest-filled porous complexes with
synchrotron radiation: practical guidelines for the crystalline sponge
method
SO ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
LA English
DT Article
ID X-RAY-STRUCTURE; SINGLE-CRYSTAL; SUPRAMOLECULAR SOLIDS;
1,3-DIMETHYLCYCLOBUTADIENE; CONFINEMENT; MATRIX; CRYSTALLOGRAPHY
AB A detailed set of synthetic and crystallographic guidelines for the crystalline sponge method based upon the analysis of expediently synthesized crystal sponges using third-generation synchrotron radiation are reported. The procedure for the synthesis of the zinc-based metal-organic framework used in initial crystal sponge reports has been modified to yield competent crystals in 3 days instead of 2 weeks. These crystal sponges were tested on some small molecules, with two being unexpectedly difficult cases for analysis with in-house diffractometers in regard to data quality and proper space-group determination. These issues were easily resolved by the use of synchrotron radiation using data-collection times of less than an hour. One of these guests induced a single-crystal-to-single-crystal transformation to create a larger unit cell with over 500 non-H atoms in the asymmetric unit. This led to a non-trivial refinement scenario that afforded the best Flack x absolute stereochemical determination parameter to date for these systems. The structures did not require the use of PLATON/SQUEEZE or other solvent-masking programs, and are the highest-quality crystalline sponge systems reported to date where the results are strongly supported by the data. A set of guidelines for the entire crystallographic process were developed through these studies. In particular, the refinement guidelines include strategies to refine the host framework, locate guests and determine occupancies, discussion of the proper use of geometric and anisotropic displacement parameter restraints and constraints, and whether to perform solvent squeezing/masking. The single-crystal-to-single-crystal transformation process for the crystal sponges is also discussed. The presented general guidelines will be invaluable for researchers interested in using the crystalline sponge method at in-house diffraction or synchrotron facilities, will facilitate the collection and analysis of reliable high-quality data, and will allow construction of chemically and physically sensible models for guest structural determination.
C1 [Ramadhar, Timothy R.; Clardy, Jon] Harvard Univ, Sch Med, Dept Biol Chem & Mol Pharmacol, Boston, MA 02115 USA.
[Zheng, Shao-Liang] Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA 02138 USA.
[Chen, Yu-Sheng] Univ Chicago, Adv Photon Source, ChemMatCARS, Ctr Adv Radiat Sources,Argonne Natl Lab, Argonne, IL 60439 USA.
RP Clardy, J (reprint author), Harvard Univ, Sch Med, Dept Biol Chem & Mol Pharmacol, 240 Longwood Ave, Boston, MA 02115 USA.
EM jon_clardy@hms.harvard.edu
OI Ramadhar, Timothy/0000-0002-7063-5445
FU National Institutes of Health [R01-GM086258, U19-AI109673,
F32-GM108415]; Divisions of Chemistry (CHE) and Materials Research
(DMR), National Science Foundation [NSF/CHE-1346572]; US DOE
[DE-AC02-06CH11357]
FX We are grateful for financial support through the National Institutes of
Health (R01-GM086258 and U19-AI109673 to JC and F32-GM108415 to TRR).
ChemMatCARS Sector 15 is principally supported by the Divisions of
Chemistry (CHE) and Materials Research (DMR), National Science
Foundation, under grant No. NSF/CHE-1346572. Use of the Advanced Photon
Source, an Office of Science User Facility operated for the US
Department of Energy (DOE) Office of Science by Argonne National
Laboratory, was supported by the US DOE under Contract No.
DE-AC02-06CH11357. We thank Dr Christine Beemelmanns for preliminary
studies on the synthesis of the MOF complexes. Finally, we thank both
reviewers for their helpful insights and discussion during the
peer-review process for this manuscript.
NR 43
TC 22
Z9 22
U1 3
U2 32
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0108-7673
EI 1600-5724
J9 ACTA CRYSTALLOGR A
JI Acta Crystallogr. Sect. A
PD JAN
PY 2015
VL 71
BP 46
EP 58
DI 10.1107/S2053273314019573
PN 1
PG 13
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA CC7KB
UT WOS:000350545100007
PM 25537388
ER
PT J
AU Grzonka, D
Kilian, K
Ritman, J
Sefzick, T
Oelert, W
Diermaier, M
Widmann, E
Zmeskal, J
Glowacz, B
Moskal, P
Zielinski, M
Wolke, M
Nadel-Turonski, P
Carmignotto, M
Horn, T
Mkrtchyan, H
Asaturyan, A
Mkrtchyan, A
Tadevosyan, V
Zhamkochyan, S
Malbrunot-Ettenauer, S
Eyrich, W
Hauenstein, F
Zink, A
AF Grzonka, D.
Kilian, K.
Ritman, J.
Sefzick, T.
Oelert, W.
Diermaier, M.
Widmann, E.
Zmeskal, J.
Glowacz, B.
Moskal, P.
Zielinski, M.
Wolke, M.
Nadel-Turonski, P.
Carmignotto, M.
Horn, T.
Mkrtchyan, H.
Asaturyan, A.
Mkrtchyan, A.
Tadevosyan, V.
Zhamkochyan, S.
Malbrunot-Ettenauer, S.
Eyrich, W.
Hauenstein, F.
Zink, A.
TI SEARCH FOR POLARIZATION EFFECTS IN THE ANTIPROTON PRODUCTION PROCESS
SO ACTA PHYSICA POLONICA B
LA English
DT Article
ID COULOMB-NUCLEAR INTERFERENCE; PP ELASTIC-SCATTERING; P(P)OVER-BAR
INTERACTION; PROTON; BEAMS; REGION; GEV/C; FACILITY
AB For the production of a polarized antiproton beam, various methods have been suggested including the possibility that antiprotons may be produced polarized which will be checked experimentally. The polarization of antiprotons produced under typical conditions for antiproton beam preparation will be measured at the CERN/PS. If the production process creates some polarization, a polarized antiproton beam could be prepared by a rather simple modification of the antiproton beam facility. The detection setup and the expected experimental conditions are described.
C1 [Grzonka, D.; Kilian, K.; Ritman, J.; Sefzick, T.] Forschungszentrum Julich, Inst Kernphys, D-52425 Julich, Germany.
[Oelert, W.] Johannes Gutenberg Univ Mainz, D-55099 Mainz, Germany.
[Diermaier, M.; Widmann, E.; Zmeskal, J.] Stefan Meyer Inst Subatomare Phys, A-1090 Vienna, Austria.
[Glowacz, B.; Moskal, P.; Zielinski, M.] Jagiellonian Univ, Inst Phys, PL-30348 Krakow, Poland.
[Wolke, M.] Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden.
[Nadel-Turonski, P.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA.
[Carmignotto, M.; Horn, T.] Catholic Univ Amer, Dept Phys, Washington, DC 20064 USA.
[Mkrtchyan, H.; Asaturyan, A.; Mkrtchyan, A.; Tadevosyan, V.; Zhamkochyan, S.] AI Alikhanyan Sci Lab, Yerevan 0036, Armenia.
[Malbrunot-Ettenauer, S.] CERN, Dept Phys, CH-1211 Genve 23, Switzerland.
[Eyrich, W.; Hauenstein, F.; Zink, A.] Univ Erlangen Nurnberg, D-91058 Erlangen, Germany.
RP Grzonka, D (reprint author), Forschungszentrum Julich, Inst Kernphys, D-52425 Julich, Germany.
RI Widmann, Eberhard/G-2545-2011; Zielinski, Marcin/B-6768-2014; Moskal,
Pawel/S-9151-2016
OI Widmann, Eberhard/0000-0003-0486-6023; Zielinski,
Marcin/0000-0002-9540-9911; Moskal, Pawel/0000-0002-4229-3548
FU Polish National Science Centre [2011/03/N/ST2/02653]; Polish Ministry of
Science and Higher Education [393/E-338/STYP/8/2013]; DAAD Exchange
Programme (PPP-Polen)
FX This work was supported partially by the Polish National Science Centre
through the Grant No. 2011/03/N/ST2/02653, and by the Polish Ministry of
Science and Higher Education through grant No. 393/E-338/STYP/8/2013,
and by DAAD Exchange Programme 2015 (PPP-Polen).
NR 33
TC 1
Z9 1
U1 0
U2 0
PU WYDAWNICTWO UNIWERSYTETU JAGIELLONSKIEGO
PI KRAKOW
PA UL GRODZKA 26, KRAKOW, 31044, POLAND
SN 0587-4254
EI 1509-5770
J9 ACTA PHYS POL B
JI Acta Phys. Pol. B
PD JAN
PY 2015
VL 46
IS 1
BP 191
EP 201
DI 10.5506/APhysPolB.46.191
PG 11
WC Physics, Multidisciplinary
SC Physics
GA CC5QR
UT WOS:000350416900025
ER
PT J
AU Damin, CA
Nguyen, VHT
Niyibizi, AS
Smith, EA
AF Damin, Craig A.
Nguyen, Vy H. T.
Niyibizi, Auguste S.
Smith, Emily A.
TI Application of scanning angle Raman spectroscopy for determining the
location of buried polymer interfaces with tens of nanometer precision
SO ANALYST
LA English
DT Article
ID TOTAL INTERNAL-REFLECTION; HOMOGENEOUS MOLECULAR PROFILES; OPTICAL
WAVE-GUIDES; THIN-FILM; DEPTH RESOLUTION; INTEGRATED-OPTICS; MICROSCOPY;
SCATTERING; INTERFEROMETRY; THICKNESS
AB Near-infrared scanning angle (SA) Raman spectroscopy was utilized to determine the interface location in bilayer films (a stack of two polymer layers) of polystyrene (PS) and polycarbonate (PC). Finite-difference-time- domain (FDTD) calculations of the sum square electric field (SSEF) for films with total bilayer thicknesses of 1200-3600 nm were used to construct models for simultaneously measuring the film thickness and the location of the buried interface between the PS and PC layers. Samples with total thicknesses of 1320, 1890, 2300, and 2750 nm and varying PS/PC interface locations were analyzed using SA Raman spectroscopy. Comparing SA Raman spectroscopy and optical profilometry measurements, the average percent difference in the total bilayer thickness was 2.0% for films less than similar to 2300 nm thick. The average percent difference in the thickness of the PS layer, which reflects the interface location, was 2.5% when the PS layer was less than similar to 1800 nm. SA Raman spectroscopy has been shown to be a viable, non-destructive method capable of determining the total bilayer thickness and buried interface location for bilayer samples consisting of thin polymer films with comparable indices of refraction.
C1 [Damin, Craig A.; Nguyen, Vy H. T.; Niyibizi, Auguste S.; Smith, Emily A.] US DOE, Ames Lab, Ames, IA 50011 USA.
[Damin, Craig A.; Nguyen, Vy H. T.; Smith, Emily A.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
RP Smith, EA (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA.
EM esmith1@iastate.edu
OI Smith, Emily/0000-0001-7438-7808
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences, and Biosciences through Ames Laboratory;
U.S. Department of Energy by Iowa State University [DE-AC02-07CH11358]
FX This research is supported by the U.S. Department of Energy, Office of
Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and
Biosciences through Ames Laboratory. The Ames Laboratory is operated for
the U.S. Department of Energy by Iowa State University under Contract
No. DE-AC02-07CH11358. The authors thank Wyman Martinek for his
assistance with the optical profilometry measurements.
NR 50
TC 1
Z9 1
U1 0
U2 9
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 2015
VL 140
IS 6
BP 1955
EP 1964
DI 10.1039/c4an02240h
PG 10
WC Chemistry, Analytical
SC Chemistry
GA CC7UH
UT WOS:000350573400029
PM 25669718
ER
PT J
AU Hasegawa, H
Sonnerup, BUO
Eriksson, S
Nakamura, TKM
Kawano, H
AF Hasegawa, H.
Sonnerup, B. U. Oe.
Eriksson, S.
Nakamura, T. K. M.
Kawano, H.
TI Dual-spacecraft reconstruction of a three-dimensional magnetic flux rope
at the Earth's magnetopause
SO ANNALES GEOPHYSICAE
LA English
DT Article
DE Magnetospheric physics; magnetopause cusp and boundary layers; space
plasma physics; magnetic reconnection; instruments and techniques
ID LATITUDE BOUNDARY-LAYER; CLUSTER OBSERVATIONS; TRANSFER EVENTS; FIELD
TOPOLOGY; NULL POINTS; SOLAR-WIND; X-LINE; RECONNECTION; PLASMA;
MAGNETOMETER
AB We present the first results of a data analysis method, developed by Sonnerup and Hasegawa (2011), for reconstructing three-dimensional (3-D), magnetohydrostatic structures from data taken as two closely spaced satellites traverse the structures. The method is applied to a magnetic flux transfer event (FTE), which was encountered on 27 June 2007 by at least three (TH-C, TH-D, and TH-E) of the five THEMIS probes near the subsolar magnetopause. The FTE was sandwiched between two oppositely directed reconnection jets under a southward interplanetary magnetic field condition, consistent with its generation by multiple X-line reconnection. The recovered 3-D field indicates that a magnetic flux rope with a diameter of similar to 3000 km was embedded in the magnetopause. The FTE flux rope had a significant 3-D structure, because the 3-D field reconstructed from the data from TH-C and TH-D (separated by similar to 390 km) better predicts magnetic field variations actually measured along the TH-E path than does the 2-D Grad-Shafranov reconstruction using the data from TH-C (which was closer to TH-E than TH-D and was at similar to 1250 km from TH-E). Such a 3D nature suggests that the field lines reconnected at the two X-lines on both sides of the flux rope are entangled in a complicated way through their interaction with each other. The generation process of the observed 3-D flux rope is discussed on the basis of the reconstruction results and the pitch-angle distribution of electrons observed in and around the FTE.
C1 [Hasegawa, H.] Japan Aerosp Explorat Agcy, Inst Space & Astronaut Sci, Sagamihara, Kanagawa 2298510, Japan.
[Sonnerup, B. U. Oe.] Dartmouth Coll, Thayer Sch Engn, Hanover, NH 03755 USA.
[Eriksson, S.] Univ Colorado, Atmospher & Space Phys Lab, Boulder, CO 80309 USA.
[Nakamura, T. K. M.] Los Alamos Natl Lab, Computat Phys Div X, Los Alamos, NM USA.
[Kawano, H.] Kyushu Univ, Int Ctr Space Weather Sci & Educ, Fukuoka 812, Japan.
RP Hasegawa, H (reprint author), Japan Aerosp Explorat Agcy, Inst Space & Astronaut Sci, 3-1-1 Yoshinodai, Sagamihara, Kanagawa 2298510, Japan.
EM hase@stp.isas.jaxa.jp
RI Hasegawa, Hiroshi/A-1192-2007;
OI Hasegawa, Hiroshi/0000-0002-1172-021X; Eriksson,
Stefan/0000-0002-5619-1577
FU JSPS [24740337]; NASA [NNX14AC38G]
FX The authors thank the THEMIS team for successful management and
operation of the mission and for allowing our use of the data from the
ESA and FGM instruments. Work by H. Hasegawa at JAXA was supported by
JSPS Grant-in-Aid for Scientific Research KAKENHI grant no. 24740337.
Work at Dartmouth College was partially supported by NASA grant
NNX14AC38G.
NR 65
TC 3
Z9 3
U1 2
U2 9
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 0992-7689
EI 1432-0576
J9 ANN GEOPHYS-GERMANY
JI Ann. Geophys.
PY 2015
VL 33
IS 2
BP 169
EP 184
DI 10.5194/angeo-33-169-2015
PG 16
WC Astronomy & Astrophysics; Geosciences, Multidisciplinary; Meteorology &
Atmospheric Sciences
SC Astronomy & Astrophysics; Geology; Meteorology & Atmospheric Sciences
GA CC7OY
UT WOS:000350559000002
ER
PT J
AU Warren, JM
Jensen, AM
Medlyn, BE
Norby, RJ
Tissue, DT
AF Warren, Jeffrey M.
Jensen, Anna M.
Medlyn, Belinda E.
Norby, Richard J.
Tissue, David T.
TI Carbon dioxide stimulation of photosynthesis in Liquidambar styraciflua
is not sustained during a 12-year field experiment
SO AOB PLANTS
LA English
DT Article
DE Acclimation; down-regulation; free-air CO2 enrichment; nitrogen
limitation; sweetgum
ID AIR CO2 ENRICHMENT; ELEVATED ATMOSPHERIC CO2; PROGRESSIVE NITROGEN
LIMITATION; PINUS-TAEDA; TEMPERATE FOREST; LOBLOLLY-PINE; STOMATAL
CONDUCTANCE; USE EFFICIENCY; LEAF PHOTOSYNTHESIS; DECIDUOUS FOREST
AB Elevated atmospheric CO2 (eCO(2)) often increases photosynthetic CO2 assimilation (A) in field studies of temperate tree species. However, there is evidence that A may decline through time due to biochemical and morphological acclimation, and environmental constraints. Indeed, at the free-air CO2 enrichment (FACE) study in Oak Ridge, Tennessee, A was increased in 12-year-old sweetgum trees following 2 years of similar to 40 % enhancement of CO2. A was re-assessed a decade later to determine if the initial enhancement of photosynthesis by eCO(2) was sustained through time. Measurements were conducted at prevailing CO2 and temperature on detached, re-hydrated branches using a portable gas exchange system. Photosynthetic CO2 response curves (A versus the CO2 concentration in the intercellular air space (Ci); or A-Ci curves) were contrasted with earlier measurements using leaf photosynthesis model equations. Relationships between light-saturated photosynthesis (Asat), maximum electron transport rate (Jmax), maximum Rubisco activity (Vcmax), chlorophyll content and foliar nitrogen (N) were assessed. In 1999, Asat for eCO(2) treatmentswas 15.4+ 0.8 mmol m 22 s 21, 22 % higher than aCO(2) treatments (P, 0.01). By 2009, Asat declined to,50 % of 1999 values, and there was no longer a significant effect of eCO(2) (Asat similar to 6.9 or 5.7+ 0.7 mmol m 22 s 21 for eCO(2) or aCO(2), respectively). In 1999, there was no treatment effect on area-based foliar N; however, by 2008, N content in eCO(2) foliage was 17 % less than that in aCO(2) foliage. Photosynthetic N-use efficiency (Asat : N) was greater in eCO(2) in 1999 resulting in greater Asat despite similar N content, but the enhanced efficiency in eCO(2) trees was lost as foliar N declined to sub-optimal levels. There was no treatment difference in the declining linear relationships between Jmax or Vcmax with declining N, or in the ratio of Jmax : Vcmax through time. Results suggest that the initial enhancement of photosynthesis to elevated CO2 will not be sustained through time if N becomes limited.
C1 [Warren, Jeffrey M.; Jensen, Anna M.; Norby, Richard J.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA.
[Warren, Jeffrey M.; Jensen, Anna M.; Norby, Richard J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
[Medlyn, Belinda E.] Macquarie Univ, Sch Biol Sci, Sydney, NSW 2019, Australia.
[Tissue, David T.] Univ Western Sydney, Hawkesbury Inst Environm, Richmond, NSW 2753, Australia.
RP Warren, JM (reprint author), Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA.
EM warrenjm@ornl.gov
RI Warren, Jeffrey/B-9375-2012; Norby, Richard/C-1773-2012
OI Warren, Jeffrey/0000-0002-0680-4697; Norby, Richard/0000-0002-0238-9828
FU UT-Battelle, LLC [DE-AC05-00OR22725]; US Department of Energy
FX The authors appreciate fieldwork and facility maintenance from Joanne
Childs (arbornaut), Cassandra Bruno, Jeff Riggs and Danny Sluss, and
data from Colleen Iversen and Carla Gunderson. 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 76
TC 7
Z9 8
U1 13
U2 54
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 2041-2851
J9 AOB PLANTS
JI Aob Plants
PY 2015
VL 7
AR plu074
DI 10.1093/aobpla/plu074
PG 13
WC Plant Sciences
SC Plant Sciences
GA CC7OT
UT WOS:000350558500001
ER
PT J
AU Anderson-Cook, CM
AF Anderson-Cook, Christine M.
TI Opportunities to empower statisticians in emerging areas
SO APPLIED STOCHASTIC MODELS IN BUSINESS AND INDUSTRY
LA English
DT Article
DE Statistical engineering; meta-analysis; multiple data sources; resource
allocation; decision making
ID COMPLEX-SYSTEMS; RELIABILITY; OPTIMIZATION; CALIBRATION
AB Statistics has long played an important role in impacting the practices of business and industry. As data collection strategies become more automated and first-principles scientific modeling with computer codes becomes more sophisticated, statistics has the opportunity to evolve and further contribute to the bottom line. Thinking about statistics as a set of tools to be applied piecemeal to a complex problem can be limiting. The emerging discussion about statistical engineering (as proposed by Roger Hoerl and Ronald Snee in Quality Progress, 2010) provides a framework for formalizing the role of statistics in a broader set of applications. Expanding how we think about data collection through resource allocation with multiple possible data types; combining data with first principles models of underlying science and engineering phenomena; and focusing on the multiple facets of the decision-making processall represent opportunities to expand the impact and influence of statistics. Statisticians have the opportunity to embrace these new opportunities to expand our sphere of influence and make broader contributions. Examples from collaborative efforts with subject matter experts at Los Alamos National Laboratory are presented to illustrate these emerging areas. Copyright (c) 2014 John Wiley & Sons, Ltd.
C1 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 c-and-cook@lanl.gov
NR 34
TC 1
Z9 1
U1 0
U2 4
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1524-1904
EI 1526-4025
J9 APPL STOCH MODEL BUS
JI Appl. Stoch. Models. Bus. Ind.
PD JAN-FEB
PY 2015
VL 31
IS 1
SI SI
BP 3
EP 11
DI 10.1002/asmb.2067
PG 9
WC Operations Research & Management Science; Mathematics, Interdisciplinary
Applications; Statistics & Probability
SC Operations Research & Management Science; Mathematics
GA CC6BX
UT WOS:000350450700002
ER
PT J
AU Anderson-Cook, CM
AF Anderson-Cook, Christine M.
TI Rejoinder to 'Opportunities to empower statisticians in emerging areas'
SO APPLIED STOCHASTIC MODELS IN BUSINESS AND INDUSTRY
LA English
DT Editorial Material
DE statistical engineering; meta-analysis; multiple data sources
C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Anderson-Cook, CM (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM c-and-cook@lanl.gov
NR 0
TC 0
Z9 0
U1 0
U2 1
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1524-1904
EI 1526-4025
J9 APPL STOCH MODEL BUS
JI Appl. Stoch. Models. Bus. Ind.
PD JAN-FEB
PY 2015
VL 31
IS 1
SI SI
BP 15
EP 15
DI 10.1002/asmb.2070
PG 1
WC Operations Research & Management Science; Mathematics, Interdisciplinary
Applications; Statistics & Probability
SC Operations Research & Management Science; Mathematics
GA CC6BX
UT WOS:000350450700004
ER
PT J
AU Chu, HH
Yen, CW
Hayden, SC
AF Chu, Hunghao
Yen, Chun-Wan
Hayden, Steven C.
TI Fabrication of Biosensing Surfaces Using Adhesive Polydopamine
SO BIOTECHNOLOGY PROGRESS
LA English
DT Article
DE biosensing; functional surface coating; SERS; polydopamine; gold
nanoparticles
ID MUSSEL-INSPIRED POLYDOPAMINE; MULTIFUNCTIONAL COATINGS; GOLD
NANOPARTICLES; VERSATILE PLATFORM; GRAPHENE SHEETS; DOPAMINE; SCAFFOLD;
POLYMERIZATION; HYBRID
AB Dopamine can be induced to polymerize on a variety of substrates, providing a robust and bioinspired surface coating that can be used to tune substrate surface properties and to sequester other species at the interface. We first exploit the facile nature of this surface modification procedure to generate an array of polydopamine that, in conjunction with fluorescent tags, provides the ability to detect multiple protein targets simultaneously and with great specificity. We then demonstrate the use of polydopamine as a matrix to confine gold nanoparticles at the surface of glass and graphene substrates. The nanoparticles (NPs) are used to template further gold nanoparticle growth in situ at the interface; subsequent calcination to remove the polydopamine matrix and sinter the NPs generates a highly active surface enhanced Raman scattering surface that allows for sensitive molecular detection. These varied uses in surface modification/biosensing demonstrate the utility of polydopamine as a functional surface modification for control of physical and electronic properties at the interface. (c) 2014 American Institute of Chemical Engineers Biotechnol. Prog., 31:299-306, 2015
C1 [Chu, Hunghao] Childrens Hosp, Dept Anesthesiol, Boston, MA 02115 USA.
[Chu, Hunghao] MIT, Koch Inst Integrat Canc Res, Cambridge, MA 02139 USA.
[Yen, Chun-Wan] MIT, Inst Med Engn & Sci, Cambridge, MA 02139 USA.
[Hayden, Steven C.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
RP Chu, HH (reprint author), Childrens Hosp, Dept Anesthesiol, 300 Longwood Ave, Boston, MA 02115 USA.
EM hunghao.chu@childrens.harvard.edu
NR 38
TC 2
Z9 2
U1 8
U2 77
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 8756-7938
EI 1520-6033
J9 BIOTECHNOL PROGR
JI Biotechnol. Prog.
PD JAN-FEB
PY 2015
VL 31
IS 1
BP 299
EP 306
DI 10.1002/btpr.1991
PG 8
WC Biotechnology & Applied Microbiology; Food Science & Technology
SC Biotechnology & Applied Microbiology; Food Science & Technology
GA CC3KR
UT WOS:000350247900034
PM 25219782
ER
PT J
AU Kuhl, AL
AF Kuhl, A. L.
TI On the structure of self-similar detonation waves in TNT charges
SO COMBUSTION EXPLOSION AND SHOCK WAVES
LA English
DT Article
DE detonation waves in TNT; phase-plane method; similarity solution; CJ
conditions; species concentrations
ID SIMILAR BLAST WAVES
AB A phase-plane method is proposed to model flow fields bounded by constant-velocity detonation waves propagating in TNT charges. Similarity transformations are used to formulate the problem in the phase plane of non-dimensional sound speed Z versus non-dimensional velocity F. The formulation results in two coupled ordinary differential equations that are solved simultaneously. The solution corresponds to an integral curve Z(F) in the phase plane, starting at the Chapman-Jouguet (CJ) point and terminating at the singularity A, which is the sonic point within the wave. The system is closed by computing thermodynamic variables along the expansion isentrope passing through the CJ point, forming, in effect, the complete equation of state of the thermodynamic system. The CJ condition and isentropic states are computed by the Cheetah thermodynamic code. Solutions are developed for planar, cylindrical, and spherical detonations. Species profiles are also computed; carbon graphite is found to be the predominant component (a parts per thousand 10 mol/kg). The similarity solution is used to initialize a 1D gas-dynamic simulation that predicts the initial expansion of the detonation products and the formation of a blast wave in air. Such simulations provide an insight into the thermodynamic states and species concentrations that create the initial optical emissions from TNT fireballs.
C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Kuhl, AL (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM kuhl2@llnl.gov
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; Department of Homeland Security ST
[HSHQPM-10-X-00070]
FX This work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory (Contract No.
DE-AC52-07NA27344) and the Department of Homeland Security S&T (Contract
No. HSHQPM-10-X-00070). Their support is gratefully appreciated.
NR 18
TC 0
Z9 0
U1 4
U2 7
PU MAIK NAUKA/INTERPERIODICA/SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA
SN 0010-5082
EI 1573-8345
J9 COMBUST EXPLO SHOCK+
JI Combust. Explos.
PD JAN
PY 2015
VL 51
IS 1
BP 72
EP 79
DI 10.1134/S0010508215010074
PG 8
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical; Materials Science, Multidisciplinary
SC Thermodynamics; Energy & Fuels; Engineering; Materials Science
GA CC4VW
UT WOS:000350353700007
ER
PT J
AU Giannopoulos, DP
Wilson-Konderka, C
Gagnon, KJ
Teat, SJ
Escuer, A
Metallinos, C
Stamatatos, TC
AF Giannopoulos, Dimosthenis P.
Wilson-Konderka, Cody
Gagnon, Kevin J.
Teat, Simon J.
Escuer, Albert
Metallinos, Costa
Stamatatos, Theocharis C.
TI Synthesis and first use of pyridine-2,6-diylbis(pyrazine-2-ylmethanone)
in metal cluster chemistry: a {(Mn3Na2)-Na-III} complex with an ideal
trigonal bipyramidal geometry
SO DALTON TRANSACTIONS
LA English
DT Article
ID SINGLE-MOLECULE MAGNETS; OXYGEN-EVOLVING COMPLEX; CENTERED MANGANESE
COMPLEXES; HIGH-SPIN MOLECULES; CRYSTAL-STRUCTURES; DI-2-PYRIDYL KETONE;
HIGH-NUCLEARITY; PHOTOSYSTEM-II; CHAIN MAGNET; CU-II
AB The successful organic synthesis of a new dipyrazole/pyridine-dicarbonyl organic molecule, namely pyridine-2,6-diylbis(pyrazine-2-ylmethanone) [(pz)CO(py)CO(pz)], followed by its employment in Mn coordination chemistry has yielded the neutral cluster compound [Mn3Na2O(N-3)(3)(L)(3)] (1), where L2- is the (pz) C-(CH2COCH3)(O-)(py)C(CH2COCH3)(O-)(pz)dianion. The latter group was formed in situ, presumably by the nucleophilic attack of the carbanion -CH2COCH3 to the carbonyl carbon atoms of (pz) CO(py) CO( pz), in the presence of Mnn+ ions under basic conditions and in solvent Me2CO. Complex 1 possesses an almost ideal trigonal bipyramidal topology, with the two Na+ ions occupying the apical positions and the three Mn-III ions residing in the equatorial trigonal plane. The bridging ligation about the metal ions is provided by a mu(3)-O-2-ion and six mu-OR-groups from the L-2-ligand, while peripheral ligation is completed by three terminal azido groups and the pyridine N and carbonyl O atoms of L2-. Magnetic susceptibility studies revealed the presence of predominant antiferromagnetic exchange interactions between the paramagnetic Mn-III centres; the use of an anisotropic, equilateral Mn-3(III) triangle model allowed us to fit the magnetic data and obtain the best-fit parameters: J = -10.8 cm(-1), D = -5.3 cm(-1), and g = 1.99. The combined results demonstrate the rich chemical reactivity of carbonyl groups and the ability of poly-ketone ligands to stabilize cluster compounds with unprecedented structural motifs and interesting architectures.
C1 [Giannopoulos, Dimosthenis P.; Wilson-Konderka, Cody; Metallinos, Costa; Stamatatos, Theocharis C.] Brock Univ, Dept Chem, St Catharines, ON L2S 3A1, Canada.
[Gagnon, Kevin J.; Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Escuer, Albert] Univ Barcelona, Dept Quim Inorgan, E-08028 Barcelona, Spain.
RP Stamatatos, TC (reprint author), Brock Univ, Dept Chem, St Catharines, ON L2S 3A1, Canada.
EM tstamatatos@brocku.ca
RI Escuer, Albert/L-4706-2014
OI Escuer, Albert/0000-0002-6274-6866
FU Brock University; NSERC; CICYT [CTQ2009-07264]; Excellence in Research
ICREA-Academia Award; Office of Science, Office of Basic Energy Sciences
of the U.S. Department of Energy [DE-AC02-05CH11231]
FX This work was supported by Brock University and NSERC Discovery Grant
(Th.C.S and C.M), the CICYT (project CTQ2009-07264) and Excellence in
Research ICREA-Academia Award (to A.E). The Advance 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. C.W.-K. would like to thank Prof. Tomas Hudlicky for
assistance with the purification of L-2 and (pz)CO(py)CO(pz).
NR 78
TC 0
Z9 0
U1 1
U2 18
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 2015
VL 44
IS 9
BP 4318
EP 4327
DI 10.1039/c4dt03666b
PG 10
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA CB9ZI
UT WOS:000349993400048
PM 25639266
ER
PT J
AU Reu, PL
Sweatt, W
Miller, T
Fleming, D
AF Reu, P. L.
Sweatt, W.
Miller, T.
Fleming, D.
TI Camera System Resolution and its Influence on Digital Image Correlation
SO EXPERIMENTAL MECHANICS
LA English
DT Article
DE Digital image correlation; Uncertainty quantification; Optical
measurements; Full-field measurement; Lens resolution
ID INTENSITY PATTERN NOISE; ERRORS; STRAIN; INTERPOLATION
AB Digital image correlation (DIC) uses images from a camera and lens system to make quantitative measurements of the shape, displacement, and strain of test objects. This increasingly popular method has had little research on the influence of the imaging system resolution on the DIC results. This paper investigates the entire imaging system and studies how both the camera and lens resolution influence the DIC results as a function of the system Modulation Transfer Function (MTF). It will show that when making spatial resolution decisions (including speckle size) the resolution limiting component should be considered. A consequence of the loss of spatial resolution is that the DIC uncertainties will be increased. This is demonstrated using both synthetic and experimental images with varying resolution. The loss of image resolution and DIC accuracy can be compensated for by increasing the subset size, or better, by increasing the speckle size. The speckle-size and spatial resolution are now a function of the lens resolution rather than the more typical assumption of the pixel size. The paper will demonstrate the tradeoffs associated with limited lens resolution.
C1 [Reu, P. L.; Sweatt, W.; Miller, T.; Fleming, D.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Reu, PL (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM plreu@sandia.gov
FU United States Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]
FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a
Lockheed Martin Company, for the United States Department of Energy's
National Nuclear Security Administration under contract No.
DE-AC04-94AL85000.
NR 19
TC 6
Z9 6
U1 3
U2 15
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0014-4851
EI 1741-2765
J9 EXP MECH
JI Exp. Mech.
PD JAN
PY 2015
VL 55
IS 1
SI SI
BP 9
EP 25
DI 10.1007/s11340-014-9886-y
PG 17
WC Materials Science, Multidisciplinary; Mechanics; Materials Science,
Characterization & Testing
SC Materials Science; Mechanics
GA CC3LX
UT WOS:000350251700002
ER
PT J
AU Lin, YZ
Huang, LJ
AF Lin, Youzuo
Huang, Lianjie
TI Acoustic- and elastic-waveform inversion using a modified
total-variation regularization scheme
SO GEOPHYSICAL JOURNAL INTERNATIONAL
LA English
DT Article
DE Numerical solutions; Inverse theory; Numerical approximations and
analysis; Non-linear differential equations; Body waves; Seismic
tomography; Computational seismology
ID IMAGE-RECONSTRUCTION; SEISMIC DATA; TIME; INFORMATION; RESTORATION;
TOMOGRAPHY; ALGORITHMS
AB Subsurface velocities within the Earth often contain piecewise-constant structures with sharp interfaces. Acoustic-and elastic-waveform inversion (AEWI) usually produces smoothed inversion results of subsurface geophysical properties. We develop novel AEWI methods using a modified total-variation regularization scheme to preserve sharp interfaces in piecewise-constant structures and improve the accuracy of compressional-and shear wave velocity inversion. We use an alternating-minimization algorithm to solve the minimization problem of our new waveform inversion methods. We decouple the original optimization problem into two simple subproblems: a standard waveform inversion subproblem with the Tikhonov regularization and a standard L-2-TV subproblem. We solve these two subproblems separately using the non-linear conjugate-gradient and split-Bregman iterative methods. The computational costs of our new waveform inversion methods using the modified total-variation regularization scheme are comparable to those of conventional waveform inversion approaches. Our numerical examples using synthetic seismic reflection data show that our new methods not only preserve sharp interfaces of subsurface structures, but also significantly improve the accuracy of compressional-and shear wave velocity inversion.
C1 [Lin, Youzuo; Huang, Lianjie] Los Alamos Natl Lab, Geophys Grp, Los Alamos, NM 87545 USA.
RP Lin, YZ (reprint author), Los Alamos Natl Lab, Geophys Grp, MS D452, Los Alamos, NM 87545 USA.
EM ylin@lanl.gov
FU U.S. Department of Energy [DE-AC52-06NA25396]
FX This work was supported the U.S. Department of Energy through contract
DE-AC52-06NA25396 to Los Alamos National Laboratory (LANL). The
computation was performed on supercomputers provided by LANL's
Institutional Computing Program. We thank Dr John Queen of Hi-Q
Geophysical Inc. for providing us with a velocity model of the Brady's
EGS field. We thank Antoine Guitton and an anonymous reviewer for their
valuable comments.
NR 40
TC 6
Z9 6
U1 1
U2 6
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 2015
VL 200
IS 1
BP 489
EP 502
DI 10.1093/gji/ggu393
PG 14
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA CC0QU
UT WOS:000350041600035
ER
PT J
AU Elliott, J
Muller, C
Deryng, D
Chryssanthacopoulos, J
Boote, KJ
Buchner, M
Foster, I
Glotter, M
Heinke, J
Iizumi, T
Izaurralde, RC
Mueller, ND
Ray, DK
Rosenzweig, C
Ruane, AC
Sheffield, J
AF Elliott, J.
Mueller, C.
Deryng, D.
Chryssanthacopoulos, J.
Boote, K. J.
Buechner, M.
Foster, I.
Glotter, M.
Heinke, J.
Iizumi, T.
Izaurralde, R. C.
Mueller, N. D.
Ray, D. K.
Rosenzweig, C.
Ruane, A. C.
Sheffield, J.
TI The Global Gridded Crop Model Intercomparison: data and modeling
protocols for Phase 1 (v1.0)
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID LAND-SURFACE MODEL; CLIMATE-CHANGE; SYSTEMS SIMULATION; HIGH-RESOLUTION;
WATER; CARBON; YIELD; AGRICULTURE; PATTERNS; GROWTH
AB We present protocols and input data for Phase 1 of the Global Gridded Crop Model Intercomparison, a project of the Agricultural Model Intercomparison and Improvement Project (AgMIP). The project includes global simulations of yields, phenologies, and many land-surface fluxes using 12-15 modeling groups for many crops, climate forcing data sets, and scenarios over the historical period from 1948 to 2012. The primary outcomes of the project include (1) a detailed comparison of the major differences and similarities among global models commonly used for large-scale climate impact assessment, (2) an evaluation of model and ensemble hindcasting skill, (3) quantification of key uncertainties from climate input data, model choice, and other sources, and (4) a multi-model analysis of the agricultural impacts of large-scale climate extremes from the historical record.
C1 [Elliott, J.; Foster, I.] Univ Chicago, Chicago, IL 60637 USA.
[Elliott, J.; Foster, I.] Argonne Natl Lab, Computat Inst, Chicago, IL USA.
[Mueller, C.; Buechner, M.; Heinke, J.] Potsdam Inst Climate Impact Res, Potsdam, Germany.
[Deryng, D.] Univ E Anglia, Tyndall Ctr, Norwich NR4 7TJ, Norfolk, England.
[Chryssanthacopoulos, J.] Columbia Univ, Ctr Climate Syst Res, New York, NY USA.
[Boote, K. J.] Univ Florida, Dept Agron, Gainesville, FL 32611 USA.
[Glotter, M.] Univ Chicago, Dept Geophys Sci, Chicago, IL 60637 USA.
[Heinke, J.] Int Livestock Res Inst, Nairobi, Kenya.
[Iizumi, T.] Natl Inst Agroenvironm Sci, Tsukuba, Ibaraki 305, Japan.
[Izaurralde, R. C.] Univ Maryland, Dept Geog Sci, College Pk, MD 20742 USA.
[Mueller, N. D.] Harvard Univ, Ctr Environm, Cambridge, MA 02138 USA.
[Ray, D. K.] Univ Minnesota, Inst Environm, St Paul, MN 55108 USA.
[Rosenzweig, C.; Ruane, A. C.] NASA, Goddard Inst Space Studies, New York, NY 10025 USA.
[Sheffield, J.] Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA.
[Heinke, J.] CSIRO, St Lucia, Qld 4067, Australia.
RP Elliott, J (reprint author), Univ Chicago, Chicago, IL 60637 USA.
EM jelliott@ci.uchicago.edu; cmueller@pik-potsdam.de
RI Deryng, Delphine/F-7417-2010; Mueller, Christoph/E-4812-2016
OI Deryng, Delphine/0000-0001-6214-7241; Boote,
Kenneth/0000-0002-1358-5496; Mueller, Christoph/0000-0002-9491-3550
FU National Science Foundation [SBE-0951576, GEO-1215910]; KULUNDA project
[01LL0905L]; FACCE MACSUR project through the German Federal Ministry of
Education and Research (BMBF) [031A103B]
FX J. Elliott acknowledges financial support from the National Science
Foundation under grants SBE-0951576 and GEO-1215910. C. Muller
acknowledges financial support from the KULUNDA project (01LL0905L) and
the FACCE MACSUR project (031A103B) funded through the German Federal
Ministry of Education and Research (BMBF). Computing and data resources
provided through the University of Chicago Research Computing Center.
NR 58
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U1 5
U2 34
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1991-959X
EI 1991-9603
J9 GEOSCI MODEL DEV
JI Geosci. Model Dev.
PY 2015
VL 8
IS 2
BP 261
EP 277
DI 10.5194/gmd-8-261-2015
PG 17
WC Geosciences, Multidisciplinary
SC Geology
GA CC7OM
UT WOS:000350557800008
ER
PT J
AU Berg, LK
Shrivastava, M
Easter, RC
Fast, JD
Chapman, EG
Liu, Y
Ferrare, RA
AF Berg, L. K.
Shrivastava, M.
Easter, R. C.
Fast, J. D.
Chapman, E. G.
Liu, Y.
Ferrare, R. A.
TI A new WRF-Chem treatment for studying regional-scale impacts of cloud
processes on aerosol and trace gases in parameterized cumuli
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID MODELING ORGANIC AEROSOLS; BASIS-SET APPROACH; CONVECTIVE
PARAMETERIZATION; RADIATIVE IMPACT; CLIMATE SIMULATIONS;
NUMERICAL-MODEL; BOUNDARY-LAYER; AIR-QUALITY; WEATHER; PRECIPITATION
AB A new treatment of cloud effects on aerosol and trace gases within parameterized shallow and deep convection, and aerosol effects on cloud droplet number, has been implemented in the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) version 3.2.1 that can be used to better understand the aerosol life cycle over regional to synoptic scales. The modifications to the model include treatment of the cloud droplet number mixing ratio; key cloud microphysical and macrophysical parameters (including the updraft fractional area, updraft and downdraft mass fluxes, and entrainment) averaged over the population of shallow clouds, or a single deep convective cloud; and vertical transport, activation/resuspension, aqueous chemistry, and wet removal of aerosol and trace gases in warm clouds. These changes have been implemented in both the WRF-Chem chemistry packages as well as the Kain Fritsch (KF) cumulus parameterization that has been modified to better represent shallow convective clouds. Testing of the modified WRF-Chem has been completed using observations from the Cumulus Humilis Aerosol Processing Study (CHAPS). The simulation results are used to investigate the impact of cloud aerosol interactions on regional-scale transport of black carbon (BC), organic aerosol (OA), and sulfate aerosol. Based on the simulations presented here, changes in the columnintegrated BC can be as large as 50% when cloud aerosol interactions are considered (due largely to wet removal), or as large as +40 % for sulfate under non-precipitating conditions due to sulfate production in the parameterized clouds. The modifications to WRF-Chem are found to account for changes in the cloud droplet number concentration (CDNC) and changes in the chemical composition of cloud droplet residuals in a way that is consistent with observations collected during CHAPS. Efforts are currently underway to port the changes described here to the latest version of WRFChem, and it is anticipated that they will be included in a future public release of WRF-Chem.
C1 [Berg, L. K.; Shrivastava, M.; Easter, R. C.; Fast, J. D.; Chapman, E. G.; Liu, Y.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Ferrare, R. A.] NASA, Langley Res Ctr, Hampton, VA 23665 USA.
RP Berg, LK (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM larry.berg@pnnl.gov
RI Berg, Larry/A-7468-2016
OI Berg, Larry/0000-0002-3362-9492
FU Office of Science of the US Department of Energy as part of the
Atmospheric System Research (ASR) program; NASA Science Mission
Directorate; Department of Energy ASR program; NASA CALIPSO project;
[DE-AC06-76RLO 1830]
FX This research was supported by the Office of Science of the US
Department of Energy as part of the Atmospheric System Research (ASR)
program. The Pacific Northwest National Laboratory is operated by
Battelle Memorial Institute under contract DE-AC06-76RLO 1830. The
funding for the B200 and HSRL operations came from the NASA Science
Mission Directorate, the Department of Energy ASR program, and the NASA
CALIPSO project. The authors would also like to thank the NASA Langley
King Air B-200 and DOE G-1 flight crews for their outstanding work in
supporting these flights and measurements. J. Ogren of NOAA and E.
Andrews of the Cooperative Institute for Research in Environmental
Sciences (CIRES) deployed the CVI during CHAPS. Data from the AMS were
collected by Y.-N. Lee of Brookhaven National Laboratory (BNL), M. L.
Alexander of the Pacific Northwest National Laboratory and J. Jayne of
Aerodyne. Size distribution data were provided by G. Senum of BNL. G.
Grell (NOAA) and R. Leung (PNNL) provided feedback on various aspects of
the manuscript. We also thank three anonymous reviewers for valuable
feedback on the manuscript.
NR 80
TC 6
Z9 6
U1 1
U2 27
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1991-959X
EI 1991-9603
J9 GEOSCI MODEL DEV
JI Geosci. Model Dev.
PY 2015
VL 8
IS 2
BP 409
EP 429
DI 10.5194/gmd-8-409-2015
PG 21
WC Geosciences, Multidisciplinary
SC Geology
GA CC7OM
UT WOS:000350557800015
ER
PT J
AU Tang, J
Huang, YR
Nguyen, DH
Costes, SV
Snijders, AM
Mao, JH
AF Tang, Jonathan
Huang, Yurong
Nguyen, David H.
Costes, Sylvain V.
Snijders, Antoine M.
Mao, Jian-Hua
TI Genetic Background Modulates lncRNA-Coordinated Tissue Response to Low
Dose Ionizing Radiation
SO INTERNATIONAL JOURNAL OF GENOMICS
LA English
DT Article
ID ATOMIC-BOMB SURVIVORS; BREAST-CANCER RISK; NONCODING RNAS; CHILDHOOD;
METASTASIS
AB Long noncoding RNAs (lncRNAs) are emerging as key regulators of diverse cell functions and processes. However, the relevance of lncRNAs in the cell and tissue response to ionizing radiation has not yet been characterized. Here we used microarray profiling to determine lncRNA and mRNA expression in mammary glands of BALB/c and SPRET/EiJ mice after low-dose ionizing radiation (LDIR) exposure. We found that unirradiated mammary tissues of these strains differed significantly in baseline expressions of 290 lncRNAs. LDIR exposure (10 cGy) induced a significant change in the expression of many lncRNAs. The vast majority of lncRNAs identified to be differentially expressed after LDIR in either BALB/c or SPRET/EiJ had a significantly correlated expression pattern with at least one LDIR responsive mRNA. Functional analysis revealed that the response to LDIR in BALB/c mice is highly dynamic with enrichment for genes involved in tissue injury, inflammatory responses, and mammary gland development at 2, 4, and 8 weeks after LDIR, respectively. Our study demonstrates that genetic background strongly influences the expression of lncRNAs and their response to radiation and that lncRNAs may coordinate the tissue response to LDIR exposure via regulation of coding mRNAs.
C1 [Tang, Jonathan; Huang, Yurong; Nguyen, David H.; Costes, Sylvain V.; Snijders, Antoine M.; Mao, Jian-Hua] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
RP Snijders, AM (reprint author), Lawrence Berkeley Natl Lab, Div Life Sci, 1 Cyclotron Rd MS977, Berkeley, CA 94720 USA.
EM amsnijders@lbl.gov; jhmao@lbl.gov
FU Office of Science, Office of Biological and Environmental Research, of
the U.S. Department of Energy [DE-AC02-05CH11231]
FX This work was supported by Low Dose SFA Program of the Director, Office
of Science, Office of Biological and Environmental Research, of the U.S.
Department of Energy under Contract no. DE-AC02-05CH11231.
NR 22
TC 0
Z9 0
U1 2
U2 6
PU HINDAWI PUBLISHING CORP
PI NEW YORK
PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA
SN 2314-436X
EI 2314-4378
J9 INT J GENOMICS
JI Int. J. Genomics
PY 2015
AR 461038
DI 10.1155/2015/461038
PG 7
WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Genetics & Heredity
SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Genetics & Heredity
GA CC4XY
UT WOS:000350360700001
ER
PT J
AU Krishnan, PSSR
Aguiar, JA
Ramasse, QM
Kepaptsoglou, DM
Liang, WI
Chu, YH
Browning, ND
Munroe, P
Nagarajan, V
AF Krishnan, P. S. Sankara Rama
Aguiar, Jeffery A.
Ramasse, Q. M.
Kepaptsoglou, D. M.
Liang, W. -I.
Chu, Y. -H.
Browning, N. D.
Munroe, P.
Nagarajan, V.
TI Mapping strain modulated electronic structure perturbations in mixed
phase bismuth ferrite thin films
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID TRANSITION-METALS; OXIDATION-STATES; FINE-STRUCTURES; BIFEO3;
SPECTROSCOPY; INTERFACES; POLARIZATION; MINERALS; OXIDES; FE
AB Strain engineering of epitaxial ferroelectrics has emerged as a powerful method to tailor the electromechanical response of these materials, although the effect of strain at the atomic scale and the interplay between lattice displacements and electronic structure changes are not yet fully understood. Here, using a combination of scanning transmission electron microscopy (STEM) and density functional theory (DFT), we systematically probe the role of epitaxial strain in mixed phase bismuth ferrite thin films. Electron energy loss O K and Fe L-2,L-3 edge spectra acquired across the rhombohedral (R)-tetragonal (T) phase boundary reveal progressive, and systematic, changes in electronic structure going from one phase to the other. The comparison of the acquired spectra with theoretical simulations using DFT suggests a breakage in the structural symmetry across the boundary due to the simultaneous presence of increasing epitaxial strain and off-axial symmetry in the T phase. This implies that the imposed epitaxial strain plays a significant role in not only changing the crystal-field geometry, but also the bonding environment surrounding the central iron cation at the interface thus providing new insights and a possible link to understand how the imposed strain could perturb magnetic ordering in the T phase BFO.
C1 [Krishnan, P. S. Sankara Rama; Munroe, P.; Nagarajan, V.] Univ New S Wales, Sch Mat Sci & Engn, Sydney, NSW 2052, Australia.
[Aguiar, Jeffery A.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
[Aguiar, Jeffery A.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Ramasse, Q. M.; Kepaptsoglou, D. M.] SuperSTEM Lab, Daresbury WA4 4AD, England.
[Liang, W. -I.; Chu, Y. -H.] Natl Chiao Tung Univ, Dept Mat Sci & Engn, Hsinchu 30010, Taiwan.
[Browning, N. D.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA.
RP Nagarajan, V (reprint author), Univ New S Wales, Sch Mat Sci & Engn, Sydney, NSW 2052, Australia.
EM nagarajan@unsw.edu.au
RI valanoor, nagarajan/B-4159-2012; Munroe, Paul/I-9313-2016; Ying-Hao,
Chu/A-4204-2008;
OI Munroe, Paul/0000-0002-5091-2513; Ying-Hao, Chu/0000-0002-3435-9084;
Browning, Nigel/0000-0003-0491-251X; Aguiar, Jeffery/0000-0001-6101-4762
FU ARC; U. K. Engineering and Physical Sciences Research Council (EPSRC);
Center for Materials at Irradiation and Mechanical Extremes (CMIME), an
Energy Frontier Research Center - U. S. Department of Energy, Office of
Science, Office of Basic Energy Sciences [2008LANL1026]; Chemical
Imaging Initiative; Laboratory Directed Research and Development Program
at Pacific Northwest National Laboratory (PNNL); U. S. Department of
Energy (DOE) [DE-AC05-76RL01830]
FX PSS thanks Adam Sikorski (ACMM, University of Sydney) for assistance
provided during the cross-sectional specimen preparation. This work at
The University of New South Wales was supported by an ARC Discovery
project. The authors acknowledge access to the UNSW node of the
Australian Microscopy & Microanalysis Research Facility (AMMRF). The
SuperSTEM Laboratory is the U. K. National Facility for
Aberration-Corrected Scanning Transmission Electron Microscopy,
supported by the U. K. Engineering and Physical Sciences Research
Council (EPSRC). Our sincere acknowledgement also goes to Prof. Nicola
Spaldin and Dr Alison Hatt for generously sharing the structure files
for the T' and R' phases. JAA acknowledges support from the Center for
Materials at Irradiation and Mechanical Extremes (CMIME), an Energy
Frontier Research Center funded by the U. S. Department of Energy,
Office of Science, Office of Basic Energy Sciences under Award Number
2008LANL1026 to utilize high performance computing facilities at Los
Alamos National Laboratory. NB acknowledges support from by the Chemical
Imaging Initiative; under the Laboratory Directed Research and
Development Program at Pacific Northwest National Laboratory (PNNL), a
multi-program national laboratory operated by Battelle for the U. S.
Department of Energy (DOE) under Contract DE-AC05-76RL01830.
NR 61
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U1 5
U2 46
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 2015
VL 3
IS 8
BP 1835
EP 1845
DI 10.1039/c4tc02064b
PG 11
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA CB6SZ
UT WOS:000349758300029
ER
PT J
AU Bulaevskaya, V
Wharton, S
Clifton, A
Qualley, G
Miller, WO
AF Bulaevskaya, V.
Wharton, S.
Clifton, A.
Qualley, G.
Miller, W. O.
TI Wind power curve modeling in complex terrain using statistical models
(vol 7, 013103, 2015)
SO JOURNAL OF RENEWABLE AND SUSTAINABLE ENERGY
LA English
DT Correction
C1 [Bulaevskaya, V.; Wharton, S.; Miller, W. O.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
[Clifton, A.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Qualley, G.] Infigen Energy, Dallas, TX 75206 USA.
RP Bulaevskaya, V (reprint author), Lawrence Livermore Natl Lab, POB 808,L-211, Livermore, CA 94551 USA.
EM verab@llnl.gov
NR 1
TC 0
Z9 0
U1 0
U2 2
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 1941-7012
J9 J RENEW SUSTAIN ENER
JI J. Renew. Sustain. Energy
PD JAN
PY 2015
VL 7
IS 1
AR 019901
DI 10.1063/1.4906780
PG 1
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels
SC Science & Technology - Other Topics; Energy & Fuels
GA CC7LJ
UT WOS:000350548700042
ER
PT J
AU Bulaevskaya, V
Wharton, S
Clifton, A
Qualley, G
Miller, WO
AF Bulaevskaya, V.
Wharton, S.
Clifton, A.
Qualley, G.
Miller, W. O.
TI Wind power curve modeling in complex terrain using statistical models
SO JOURNAL OF RENEWABLE AND SUSTAINABLE ENERGY
LA English
DT Article
ID TURBINE POWER; ATMOSPHERIC STABILITY; SPEED
AB The simplest power curves model wind power only as a function of the wind speed at the turbine hub height. While the latter is an essential predictor of power output, wind speed information in other parts of the vertical profile, as well as additional atmospheric variables, are also important determinants of power. The goal of this work was to determine the gain in predictive ability afforded by adding wind speed information at other heights, as well as other atmospheric variables, to the power prediction model. Using data from a wind farm with a moderately complex terrain in the Altamont Pass region in California, we trained three statistical models-a neural network, a random forest and a Gaussian process model-to predict power output from various sets of aforementioned predictors. The comparison of these predictions to the observed power data revealed that considerable improvements in prediction accuracy can be achieved both through the addition of predictors other than the hub-height wind speed and the use of statistical models. To our knowledge, the use of the Gaussian process model in this context is new, in contrast to neural networks and random forests. The advantage of this model over the other two models is that it provides a much more natural way to estimate the uncertainty associated with its predictions. In addition, this study presents one of the most comprehensive analyses to date of the relative importance of various wind power curve inputs. (C) 2015 AIP Publishing LLC.
C1 [Bulaevskaya, V.; Wharton, S.; Miller, W. O.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
[Clifton, A.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Qualley, G.] Infigen Energy, Dallas, TX 75206 USA.
RP Bulaevskaya, V (reprint author), Lawrence Livermore Natl Lab, POB 808,L-211, Livermore, CA 94551 USA.
EM verab@llnl.gov
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; LLNL Laboratory Directed Research and Development
(LDRD) [12-ER-069]
FX This work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under the Contract No.
DE-AC52-07NA27344 and funded by the LLNL Laboratory Directed Research
and Development (LDRD) Grant No. 12-ER-069. The authors are extremely
grateful for Infigen Energy's partnership, including data sharing,
intellectual input and field campaign assistance. The authors would also
like to thank Cary Gellner, Maureen Alai, and John Van Fossen (LLNL) for
building the solar panel/battery arrays, Jennifer Newman (Univ. of
Oklahoma) for assistance in the lidar deployments, and Matthew Simpson,
Donald Lucas, Gardar Johannesson (LLNL) and the anonymous reviewers for
valuable comments on an earlier version of this manuscript.
NR 61
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Z9 7
U1 1
U2 11
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 1941-7012
J9 J RENEW SUSTAIN ENER
JI J. Renew. Sustain. Energy
PD JAN
PY 2015
VL 7
IS 1
AR 013103
DI 10.1063/1.4904430
PG 24
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels
SC Science & Technology - Other Topics; Energy & Fuels
GA CC7LJ
UT WOS:000350548700009
ER
PT J
AU Gonzalez, DL
Angus, MP
Tetteh, IK
Bello, GA
Padmanabhan, K
Pendse, SV
Srinivas, S
Yu, J
Semazzi, F
Kumar, V
Samatova, NF
AF Gonzalez, D. L., II
Angus, M. P.
Tetteh, I. K.
Bello, G. A.
Padmanabhan, K.
Pendse, S. V.
Srinivas, S.
Yu, J.
Semazzi, F.
Kumar, V.
Samatova, N. F.
TI On the data-driven inference of modulatory networks in climate science:
an application to West African rainfall
SO NONLINEAR PROCESSES IN GEOPHYSICS
LA English
DT Article
ID TROPICAL ATLANTIC; INDIAN-OCEAN; VARIABILITY; SAHEL; DYNAMICS;
ASSOCIATION; IMPACTS; SYSTEMS; REGION; LASSO
AB Decades of hypothesis-driven and/or first-principles research have been applied towards the discovery and explanation of the mechanisms that drive climate phenomena, such as western African Sahel summer rainfall variability. Although connections between various climate factors have been theorized, not all of the key relationships are fully understood. We propose a data-driven approach to identify candidate players in this climate system, which can help explain underlying mechanisms and/or even suggest new relationships, to facilitate building a more comprehensive and predictive model of the modulatory relationships influencing a climate phenomenon of interest. We applied coupled heterogeneous association rule mining (CHARM), Lasso multivariate regression, and dynamic Bayesian networks to find relationships within a complex system, and explored means with which to obtain a consensus result from the application of such varied methodologies. Using this fusion of approaches, we identified relationships among climate factors that modulate Sahel rainfall. These relationships fall into two categories: well-known associations from prior climate knowledge, such as the relationship with the El Nino-Southern Oscillation (ENSO) and putative links, such as North Atlantic Oscillation, that invite further research.
C1 [Gonzalez, D. L., II; Angus, M. P.; Tetteh, I. K.; Bello, G. A.; Padmanabhan, K.; Pendse, S. V.; Srinivas, S.; Yu, J.; Semazzi, F.; Samatova, N. F.] N Carolina State Univ, Raleigh, NC 27695 USA.
[Gonzalez, D. L., II; Bello, G. A.; Padmanabhan, K.; Pendse, S. V.; Srinivas, S.; Samatova, N. F.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Kumar, V.] Univ Minnesota, Minneapolis, MN 55455 USA.
RP Samatova, NF (reprint author), N Carolina State Univ, Raleigh, NC 27695 USA.
EM samatova@csc.ncsu.edu
FU US Department of Energy, Office of Science, the Office of Advanced
Scientific Computing Research (SDAVI Institute); US National Science
Foundation (Expeditions in Computing program); US D.O.E.
[DEAC05-00OR22725]
FX This work was supported in part by the US Department of Energy, Office
of Science, the Office of Advanced Scientific Computing Research (SDAVI
Institute), and the US National Science Foundation (Expeditions in
Computing program). Oak Ridge National Laboratory is managed by
UT-Battelle for the LLC US D.O.E. under contract no. DEAC05-00OR22725.
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 48
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U1 3
U2 9
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1023-5809
J9 NONLINEAR PROC GEOPH
JI Nonlinear Process Geophys.
PY 2015
VL 22
IS 1
BP 33
EP 46
DI 10.5194/npg-22-33-2015
PG 14
WC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences
SC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences
GA CC7NU
UT WOS:000350555800003
ER
PT J
AU Kuzkin, V
Krivtsov, A
Jones, R
Zimmerman, J
AF Kuzkin, V. A.
Krivtsov, A. M.
Jones, R. E.
Zimmerman, J. A.
TI Material frame representation of equivalent stress tensor for discrete
solids
SO PHYSICAL MESOMECHANICS
LA English
DT Article
DE Cauchy stress tensor; material frame formulation; molecular dynamics
ID MOLECULAR-DYNAMICS; SIMULATIONS; CRYSTALS; STATE
AB In this paper, we derive expressions for equivalent Cauchy and Piola stress tensors that can be applied to discrete solids and are exact for the case of homogeneous deformation. The main principles used for this derivation are material frame formulation, long wave approximation and decomposition of particle motion into continuum and thermal parts. Equivalent Cauchy and Piola stress tensors for discrete solids are expressed in terms of averaged interparticle distances and forces. No assumptions about interparticle forces are used in the derivation, thereby ensuring our expressions are valid irrespective of the choice of interatomic potential used to model the discrete solid. The derived expressions are used for calculation of the local Cauchy stress in several test problems. The results are compared with prediction of the classical continuum definition (force per unit area) as well as existing discrete formulations (Hardy, Lucy, and Heinz-Paul-Binder stress tensors). It is shown that in the case of homogeneous deformations and finite temperatures the proposed expression leads to the same values of stresses as classical continuum definition. Hardy and Lucy stress tensors give the same result only if the stress is averaged over a sufficiently large volume. Thus, given the lack of sensitivity to averaging volume size, the derived expressions can be used as benchmarks for calculation of stresses in discrete solids.
C1 [Kuzkin, V. A.; Krivtsov, A. M.] Russian Acad Sci, Inst Problems Mech Engn, St Petersburg 199178, Russia.
[Kuzkin, V. A.; Krivtsov, A. M.] St Petersburg State Polytech Univ, St Petersburg 195251, Russia.
[Jones, R. E.; Zimmerman, J. A.] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Kuzkin, V (reprint author), Russian Acad Sci, Inst Problems Mech Engn, St Petersburg 199178, Russia.
EM kuzkinva@gmail.com
RI Krivtsov, Anton-Irzhi/P-3013-2016; Kuzkin, Vitaliy /E-9407-2017
OI Kuzkin, Vitaliy /0000-0003-0484-0106
FU Sandia National Laboratories; RSCF [14-11-00599]
FX The authors are deeply grateful to Prof. William Graham Hoover for the
fruitful discussions of the present paper. This work was financially
supported by Sandia National Laboratories and RSCF (grant No.
14-11-00599).
NR 37
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U1 2
U2 8
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 2015
VL 18
IS 1
BP 13
EP 23
DI 10.1134/S1029959915010038
PG 11
WC Mechanics; Materials Science, Characterization & Testing
SC Mechanics; Materials Science
GA CC6PK
UT WOS:000350487800003
ER
PT J
AU Carino, EV
Diesendruck, CE
Moore, JS
Curtiss, LA
Assary, RS
Brushett, FR
AF Carino, Emily V.
Diesendruck, Charles E.
Moore, Jeffrey S.
Curtiss, Larry A.
Assary, Rajeev S.
Brushett, Fikile R.
TI BF3-promoted electrochemical properties of quinoxaline in propylene
carbonate
SO RSC ADVANCES
LA English
DT Article
ID DENSITY-FUNCTIONAL THEORY; REDOX FLOW BATTERY; RESEARCH-AND-DEVELOPMENT;
SOLVATION FREE-ENERGIES; LI-ION CELLS; DI-N-OXIDES; OXIDATION
POTENTIALS; LIPF6-BASED ELECTROLYTES; DECOMPOSITION REACTIONS; REDUCTION
POTENTIALS
AB Electrochemical and density functional studies demonstrate that coordination of electrolyte constituents to quinoxalines modulates their electrochemical properties. Quinoxalines are shown to be electrochemically inactive in most electrolytes in propylene carbonate, yet the predicted reduction potential is shown to match computational estimates in acetonitrile. We find that in the presence of LiBF4 and trace water, an adduct is formed between quinoxaline and the Lewis acid BF3, which then displays electrochemical activity at 1-1.5 V higher than prior observations of quinoxaline electrochemistry in non-aqueous media. Direct synthesis and testing of a bis-BF3 quinoxaline complex further validates the assignment of the electrochemically active species, presenting up to a similar to 26-fold improvement in charging capacity, demonstrating the advantages of this adduct over unmodified quinoxaline in LiBF4-based electrolyte. The use of Lewis acids to effectively "turn on" the electrochemical activity of organic molecules may lead to the development of new active material classes for energy storage applications.
C1 [Carino, Emily V.; Diesendruck, Charles E.; Moore, Jeffrey S.; Curtiss, Larry A.; Assary, Rajeev S.; Brushett, Fikile R.] Joint Ctr Energy Storage Res, Argonne, IL 60439 USA.
[Carino, Emily V.; Brushett, Fikile R.] MIT, Dept Chem Engn, Cambridge, MA 02139 USA.
[Diesendruck, Charles E.; Moore, Jeffrey S.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA.
[Curtiss, Larry A.; Assary, Rajeev S.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
RP Assary, RS (reprint author), Joint Ctr Energy Storage Res, Argonne, IL 60439 USA.
EM assary@anl.gov; brushett@mit.edu
RI Surendran Assary, Rajeev/E-6833-2012;
OI Surendran Assary, Rajeev/0000-0002-9571-3307; Diesendruck,
Charles/0000-0001-5576-1366
FU Joint Center for Energy Storage Research, an Energy Innovation Hub -
U.S. Department of Energy, Office of Science, Basic Energy Sciences; U.
S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]
FX This work was supported as part of the Joint Center for Energy Storage
Research, an Energy Innovation Hub funded by the U.S. Department of
Energy, Office of Science, Basic Energy Sciences. We gratefully
acknowledge the computing resources provided on "Blues," a 320-node
computing cluster operated by the Laboratory Computing Resource Center
at Argonne National Laboratory. Use of the Center for Nanoscale
Materials was supported by the U. S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, under Contract no.
DE-AC02-06CH11357.
NR 44
TC 9
Z9 9
U1 2
U2 17
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 2015
VL 5
IS 24
BP 18822
EP 18831
DI 10.1039/c5ra00137d
PG 10
WC Chemistry, Multidisciplinary
SC Chemistry
GA CC0BE
UT WOS:000349999200079
ER
PT J
AU Yi, D
Yang, L
Xie, SJ
Saxena, A
AF Yi, Ding
Yang, Liu
Xie, Shijie
Saxena, Avadh
TI Stability of hydrogenated graphene: a first-principles study
SO RSC ADVANCES
LA English
DT Article
ID REVERSIBLE HYDROGENATION; BILAYER GRAPHENE; NANORIBBONS; GRAPHONE;
GRAPHANE
AB In order to explain the disagreement between present theoretical and experimental investigations on the stability of hydrogenated graphene, we have systematically studied hydrogenated graphene with different configurations from the consideration of single-side and double-side adsorption using first-principles calculations. Both binding energy and formation energy are calculated to characterize the stability of the system. It is found that single-side hydrogenated graphene is always unstable. However, for double-side hydrogenation, some configurations are stable due to the increased carbon-carbon sp(3) hybridization compared to single-side hydrogenation. Furthermore, it is found that the system is energetically favorable when an equal number of hydrogen atoms are adsorbed on each side of the graphene.
C1 [Yi, Ding; Yang, Liu; Xie, Shijie] Shandong Univ, Sch Phys, State Key Lab Crystal Mat, Jinan 250100, Peoples R China.
[Saxena, Avadh] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Xie, SJ (reprint author), Shandong Univ, Sch Phys, State Key Lab Crystal Mat, Jinan 250100, Peoples R China.
EM xsj@sdu.edu.cn
FU National Natural Science Foundation of the People's Republic of China
[11174181, 21161160445]; 111 project [B13029]; U.S. Department of Energy
FX The authors thank Prof. Nujiang Tang of Nanjing University and Dr Qian
Feng of Fujian Normal University for the useful discussions and
suggestions. This work was financially supported by the National Natural
Science Foundation of the People's Republic of China (Grant no. 11174181
and no. 21161160445) and 111 project B13029. This work was also
supported in part by the U.S. Department of Energy.
NR 32
TC 6
Z9 7
U1 11
U2 37
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 2015
VL 5
IS 26
BP 20617
EP 20622
DI 10.1039/c5ra00004a
PG 6
WC Chemistry, Multidisciplinary
SC Chemistry
GA CC3BW
UT WOS:000350220400100
ER
PT J
AU Kumar, R
Lokitz, BS
Sides, SW
Chen, JH
Heller, WT
Ankner, JF
Browning, JF
Kilbey, SM
Sumpter, BG
AF Kumar, Rajeev
Lokitz, Bradley S.
Sides, Scott W.
Chen, Jihua
Heller, William T.
Ankner, John F.
Browning, James F.
Kilbey, S. Michael, II
Sumpter, Bobby G.
TI Microphase separation in thin films of lamellar forming polydisperse
di-block copolymers
SO RSC ADVANCES
LA English
DT Article
ID ABA TRIBLOCK COPOLYMERS; CARLO PHASE-DIAGRAM; DIBLOCK COPOLYMERS;
CONFORMATIONAL ASYMMETRY; NEUTRON REFLECTIVITY; X-RAY; MELTS;
MORPHOLOGY; POLYMERS; TRANSITION
AB Despite the ubiquity of polydispersity in chain lengths of di-block copolymers, its effects on microphase separation in thin films have eluded a clear understanding. In this work, we have studied effects of polydispersity on the microphase separation in thin films of lamellar forming di-block copolymers using self-consistent field theory (SCFT) and neutron reflectivity experiments. Di-block copolymers containing a polydisperse block of poly(glycidylmethacrylate) (PGMA) connected to a near-monodisperse block poly(2-vinyl-4,4-dimethyl-d(6) azlactone) (PVDMA-d(6)) are considered in this work. Effects of chain length polydispersity, film thickness, substrate-monomer and monomer-monomer interactions on the microphase segregation are studied using SCFT. The theoretical study reveals that in comparison to a film created with monodisperse di-block copolymers, an increase in polydispersity tends to decrease the number of lamellar strata that can be packed in a film of given thickness. This is a direct consequence of an increase in lamellar domain spacing with an increase in polydispersity index. Furthermore, it is shown that polydispersity induces conformational asymmetry and an increase in the polydispersity index leads to an increase in the effective Kuhn segment length of the polydisperse blocks. It is shown that the conformational asymmetry effects, which are entropic in origin and of increasing importance as film thickness decreases, drive the polydisperse blocks to the middle of the films despite favorable substrate interactions. These predictions are verified by results from neutron reflectivity experiments on thin films made from moderately polydisperse PGMA-PVDMA-d(6) di-block copolymer deposited on silicon substrates. Finally, results from SCFT are used to predict neutron reflectivity profiles, providing a facile and robust route to obtain useful physical insights into the structure of polydisperse diblock copolymers at interfaces.
C1 [Kumar, Rajeev; Sumpter, Bobby G.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA.
[Kumar, Rajeev; Lokitz, Bradley S.; Chen, Jihua; Sumpter, Bobby G.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Sides, Scott W.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Heller, William T.; Ankner, John F.; Browning, James F.] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA.
[Kilbey, S. Michael, II] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
RP Kumar, R (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA.
EM kumarr@ornl.gov
RI Chen, Jihua/F-1417-2011; Sumpter, Bobby/C-9459-2013; Kumar,
Rajeev/Q-2255-2015; Lokitz, Bradley/Q-2430-2015; Browning,
James/C-9841-2016
OI Chen, Jihua/0000-0001-6879-5936; Sumpter, Bobby/0000-0001-6341-0355;
Ankner, John/0000-0002-6737-5718; Kumar, Rajeev/0000-0001-9494-3488;
Lokitz, Bradley/0000-0002-1229-6078; Browning, James/0000-0001-8379-259X
FU Oak Ridge National Laboratory (ORNL) by the Scientific User Facilities
Division, Office of Basic Energy Sciences; U.S. Department of Energy;
National Science Foundation [1133320]; Laboratory Directed Research and
Development (LDRD) at ORNL; Scientific User Facilities Division, Office
of Basic Energy Sciences, US Department of Energy; Office of Science of
the U.S. Department of Energy [DE-AC05-00OR22725]
FX This research was conducted in part at the Center for Nanophase
Materials Sciences (CNMS), which is sponsored at Oak Ridge National
Laboratory (ORNL) by the Scientific User Facilities Division, Office of
Basic Energy Sciences, U.S. Department of Energy. SMKII acknowledges
support from the National Science Foundation (Award no. 1133320). This
work was supported by Laboratory Directed Research and Development
(LDRD) at ORNL. Research conducted at ORNL's Spallation Neutron Source
was sponsored by the Scientific User Facilities Division, Office of
Basic Energy Sciences, US Department of Energy. The computations were
performed using the resources of the CNMS and Oak Ridge Leadership
Computing Facility at ORNL, which is supported by the Office of Science
of the U.S. Department of Energy under Contract no. DE-AC05-00OR22725.
NR 49
TC 5
Z9 5
U1 10
U2 42
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 2015
VL 5
IS 27
BP 21336
EP 21348
DI 10.1039/c5ra00974j
PG 13
WC Chemistry, Multidisciplinary
SC Chemistry
GA CC3CH
UT WOS:000350221600090
ER
PT J
AU Cahill, JF
Fei, H
Cohen, SM
Prather, KA
AF Cahill, J. F.
Fei, H.
Cohen, S. M.
Prather, K. A.
TI Characterization of core-shell MOF particles by depth profiling
experiments using on-line single particle mass spectrometry
SO ANALYST
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; COORDINATION POLYMER CRYSTALS; POSTSYNTHETIC
LIGAND; FUNCTIONALIZATION; NANOPARTICLES; NANOSCALE;
DESORPTION/IONIZATION; FABRICATION; MORPHOLOGY; AMMONIUM
AB Materials with core-shell structures have distinct properties that lend themselves to a variety of potential applications. Characterization of small particle core-shell materials presents a unique analytical challenge. Herein, single particles of solid-state materials with core-shell structures were measured using on-line aerosol time-of-flight mass spectrometry (ATOFMS). Laser 'depth profiling' experiments verified the core-shell nature of two known core-shell particle configurations (< 2 mu m diameter) that possessed inverted, complimentary core-shell compositions (ZrO2@SiO2 versus SiO2@ZrO2). The average peak area ratios of Si and Zr ions were calculated to definitively show their core-shell composition. These ratio curves acted as a calibrant for an uncharacterized sample - a metal-organic framework (MOF) material surround by silica (UiO-66(Zr)@SiO2; UiO = University of Oslo). ATOFMS depth profiling was used to show that these particles did indeed exhibit a core-shell architecture. The results presented here show that ATOFMS can provide unique insights into core-shell solid-state materials with particle diameters between 0.2-3 mu m.
C1 [Cahill, J. F.] Oak Ridge Natl Lab, Div Chem Sci, Organ & Biol Mass Spectrometry Grp, Oak Ridge, TN 37831 USA.
[Fei, H.; Cohen, S. M.; Prather, K. A.] Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA.
[Prather, K. A.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA.
RP Prather, KA (reprint author), Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA.
EM kprather@ucsd.edu
RI Fei, Honghan/D-6124-2015; Fei, Honghan/G-3445-2011
OI Cahill, John/0000-0002-9866-4010; Fei, Honghan/0000-0003-1353-9921
FU National Science Foundation, Division of Materials Research
[DMR-1262226]
FX The funding for this work was provided by a grant from the National
Science Foundation, Division of Materials Research (DMR-1262226).
NR 37
TC 1
Z9 1
U1 12
U2 118
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 2015
VL 140
IS 5
BP 1510
EP 1515
DI 10.1039/c4an01913j
PG 6
WC Chemistry, Analytical
SC Chemistry
GA CB7VS
UT WOS:000349837200018
PM 25587577
ER
PT J
AU Wang, M
Xu, B
Cao, J
Tie, X
Wang, H
Zhang, R
Qian, Y
Rasch, PJ
Zhao, S
Wu, G
Zhao, H
Joswiak, DR
Li, J
Xie, Y
AF Wang, M.
Xu, B.
Cao, J.
Tie, X.
Wang, H.
Zhang, R.
Qian, Y.
Rasch, P. J.
Zhao, S.
Wu, G.
Zhao, H.
Joswiak, D. R.
Li, J.
Xie, Y.
TI Carbonaceous aerosols recorded in a southeastern Tibetan glacier:
analysis of temporal variations and model estimates of sources and
radiative forcing
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID LIGHT-ABSORBING IMPURITIES; ATMOSPHERIC BROWN CLOUDS; BLACK-CARBON;
ORGANIC-CARBON; ARCTIC SNOW; HYDROLOGICAL CYCLE; OPTICAL-PROPERTIES;
SPECTRAL ALBEDO; SULFUR-DIOXIDE; RURAL INDIA
AB High temporal resolution measurements of black carbon (BC) and organic carbon (OC) covering the time period of 1956-2006 in an ice core over the southeastern Tibetan Plateau show a distinct seasonal dependence of BC and OC with higher respective concentrations but a lower OC / BC ratio in the non-monsoon season than during the summer monsoon. We use a global aerosol-climate model, in which BC emitted from different source regions can be explicitly tracked, to quantify BC source-receptor relationships between four Asian source regions and the southeastern Tibetan Plateau as a receptor. The model results show that South Asia has the largest contribution to the presentday (1996-2005) mean BC deposition at the ice-core drilling site during the non-monsoon season (October to May) (81 %) and all year round (74 %), followed by East Asia (14% to the non-monsoon mean and 21% to the annual mean). The ice-core record also indicates stable and relatively low BC and OC deposition fluxes from the late 1950s to 1980, followed by an overall increase to recent years. This trend is consistent with the BC and OC emission inventories and the fuel consumption of South Asia (as the primary contributor to annual mean BC deposition). Moreover, the increasing trend of the OC / BC ratio since the early 1990s indicates a growing contribution of coal combustion and/or biomass burning to the emissions. The estimated radiative forcing induced by BC and OC impurities in snow has increased since 1980, suggesting an increasing potential influence of carbonaceous aerosols on the Tibetan glacier melting and the availability of water resources in the surrounding regions. Our study indicates that more attention to OC is merited because of its non-negligible light absorption and the recent rapid increases evident in the ice-core record.
C1 [Wang, M.; Xu, B.; Wu, G.; Zhao, H.; Joswiak, D. R.; Li, J.; Xie, Y.] Chinese Acad Sci, Inst Tibetan Plateau Res, Key Lab Tibetan Environm Changes & Land Surface P, Beijing 100101, Peoples R China.
[Wang, M.; Wang, H.; Zhang, R.; Qian, Y.; Rasch, P. J.] PNNL, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Cao, J.; Tie, X.; Zhao, S.] Chinese Acad Sci, Inst Earth Environm, State Key Lab Loess & Quaternary Geol, Beijing 100085, Peoples R China.
[Tie, X.] Natl Ctr Atmospher Res, Boulder, CO 80303 USA.
[Zhang, R.] Lanzhou Univ, Coll Atmospher Sci, Key Lab Semiarid Climate Change, Minist Educ, Lanzhou 730000, Gansu, Peoples R China.
RP Wang, M (reprint author), Chinese Acad Sci, Inst Tibetan Plateau Res, Key Lab Tibetan Environm Changes & Land Surface P, Beijing 100101, Peoples R China.
EM wangmo@itpcas.ac.cn
RI qian, yun/E-1845-2011; Wang, Hailong/B-8061-2010; Cao, Junji/D-3259-2014
OI Wang, Hailong/0000-0002-1994-4402; Cao, Junji/0000-0003-1000-7241
FU China National Funds for Distinguished Young Scientists; National
Natural Science Foundation of China [41125003, 41101063, 2009CB723901];
US Department of Energy (DOE), Office of Science, Biological and
Environmental Research as part of the Earth System Modeling program;
China Scholarship Fund; DOE by Battelle Memorial Institute
[DE-AC05-76RLO1830]; National Science Foundation
FX This work was supported by the China National Funds for Distinguished
Young Scientists and the National Natural Science Foundation of China,
including 41125003, 41101063, and 2009CB723901. H. Wang, Y. Qian and P.
J. Rasch were supported by the US Department of Energy (DOE), Office of
Science, Biological and Environmental Research as part of the Earth
System Modeling program. R. Zhang acknowledges support from the China
Scholarship Fund. PNNL is operated for DOE by Battelle Memorial
Institute under contract DE-AC05-76RLO1830. The National Center for
Atmospheric Research is sponsored by the National Science Foundation. We
thank Z. Guo and S. Yang for providing the observations of snow.
NR 85
TC 13
Z9 17
U1 6
U2 37
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2015
VL 15
IS 3
BP 1191
EP 1204
DI 10.5194/acp-15-1191-2015
PG 14
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CB7IF
UT WOS:000349799500004
ER
PT J
AU Lowe, D
Archer-Nicholls, S
Morgan, W
Allan, J
Utembe, S
Ouyang, B
Aruffo, E
Le Breton, M
Zaveri, RA
Di Carlo, P
Percival, C
Coe, H
Jones, R
McFiggans, G
AF Lowe, D.
Archer-Nicholls, S.
Morgan, W.
Allan, J.
Utembe, S.
Ouyang, B.
Aruffo, E.
Le Breton, M.
Zaveri, R. A.
Di Carlo, P.
Percival, C.
Coe, H.
Jones, R.
McFiggans, G.
TI WRF-Chem model predictions of the regional impacts of N2O5 heterogeneous
processes on night-time chemistry over north-western Europe
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID INTERMEDIATES CRI MECHANISM; SECONDARY ORGANIC AEROSOL; SIZE
DISTRIBUTIONS; ATMOSPHERIC CHEMISTRY; MASS-SPECTROMETER; O-X; NITRATE;
PARAMETERIZATION; NO3; REANALYSIS
AB Chemical modelling studies have been conducted over north-western Europe in summer conditions, showing that night-time dinitrogen pentoxide (N2O5) heterogeneous reactive uptake is important regionally in modulating particulate nitrate and has a modest influence on oxidative chemistry. Results from Weather Research and Forecasting model with Chemistry (WRF-Chem) model simulations, run with a detailed volatile organic compound (VOC) gas-phase chemistry scheme and the Model for Simulating Aerosol Interactions and Chemistry (MOSAIC) sectional aerosol scheme, were compared with a series of airborne gas and particulate measurements made over the UK in July 2010. Modelled mixing ratios of key gas-phase species were reasonably accurate (correlations with measurements of 0.7-0.9 for NO2 and O-3). However modelled loadings of particulate species were less accurate (correlation with measurements for particulate sulfate and ammonium were between 0.0 and 0.6). Sulfate mass loadings were particularly low (modelled means of 0.5-0.7 mu gkg(air)(-1), compared with measurements of 1.0-1.5 mu gkg(air)(-1)). Two flights from the campaign were used as test cases - one with low relative humidity (RH) (60-70 %), the other with high RH (80-90 %). N2O5 heterogeneous chemistry was found to not be important in the low-RH test case; but in the high-RH test case it had a strong effect and significantly improved the agreement between modelled and measured NO3 and N2O5. When the model failed to capture atmospheric RH correctly, the modelled NO3 and N2O5 mixing ratios for these flights differed significantly from the measurements. This demonstrates that, for regional modelling which involves heterogeneous processes, it is essential to capture the ambient temperature and water vapour profiles.
The night-time NO3 oxidation of VOCs across the whole region was found to be 100-300 times slower than the day-time OH oxidation of these compounds. The difference in contribution was less for alkenes (x80) and comparable for dimethylsulfide (DMS). However the suppression of NO3 mixing ratios across the domain by N2O5 heterogeneous chemistry has only a very slight, negative, influence on this oxidative capacity. The influence on regional particulate nitrate mass loadings is stronger. Night-time N2O5 heterogeneous chemistry maintains the production of particulate nitrate within polluted regions: when this process is taken into consideration, the daytime peak (for the 95th percentile) of PM10 nitrate mass loadings remains around 5.6 mu gkg(air)(-1), but the night-time minimum increases from 3.5 to 4.6 mu gkg(air)(-1). The sustaining of higher particulate mass loadings through the night by this process improves model skill at matching measured aerosol nitrate diurnal cycles and will negatively impact on regional air quality, requiring this process to be included in regional models.
C1 [Lowe, D.; Archer-Nicholls, S.; Morgan, W.; Allan, J.; Le Breton, M.; Percival, C.; Coe, H.; McFiggans, G.] Univ Manchester, Sch Earth Atmospher & Environm Sci, Manchester, Lancs, England.
[Allan, J.] Univ Manchester, Natl Ctr Atmospher Sci, Manchester, Lancs, England.
[Utembe, S.] Univ Melbourne, Sch Earth Sci, Melbourne, Vic 3010, Australia.
[Ouyang, B.; Jones, R.] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England.
[Aruffo, E.; Di Carlo, P.] Univ Aquila, Dipartimento Fis, CETEMPS, I-67100 Laquila, Italy.
[Zaveri, R. A.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
RP McFiggans, G (reprint author), Univ Manchester, Sch Earth Atmospher & Environm Sci, Manchester, Lancs, England.
EM g.mcfiggans@manchester.ac.uk
RI McFiggans, Gordon/B-8689-2011; Di Carlo, Piero/C-1657-2016; Utembe,
Steven/C-4713-2016; Zaveri, Rahul/G-4076-2014; Morgan,
William/D-1690-2011; Di Carlo, Piero/Q-4450-2016; Allan,
James/B-1160-2010;
OI McFiggans, Gordon/0000-0002-3423-7896; Di Carlo,
Piero/0000-0003-4971-4509; Utembe, Steven/0000-0002-2741-3142; Zaveri,
Rahul/0000-0001-9874-8807; Di Carlo, Piero/0000-0003-4971-4509; Allan,
James/0000-0001-6492-4876; percival, carl/0000-0003-2525-160X; Coe,
Hugh/0000-0002-3264-1713
FU NERC RONOCO project [NE/F004656/1]; NERC quota studentship
FX We would like to acknowledge the efforts of the whole RONOCO team during
and after the project. Airborne data were obtained using the BAe 146-301
Atmospheric Research Aircraft (ARA) flown by Directflight Ltd and
managed by the Facility for Airborne Atmospheric Measurements (FAAM),
which is a joint entity of the Natural Environment Research Council
(NERC) and the Met Office. The NERC National Centre for Atmospheric
Science (NCAS) Atmospheric Measurement Facility (AMF) supported the
maintenance of the cToF-AMS. NCAS also supported the development of the
data interpretation methods employed here through its Composition
Directorate. This work was supported by the NERC RONOCO project
NE/F004656/1. S. Archer-Nicholls was supported by a NERC quota
studentship. Model runs were carried out on the High-End Computing
Terascale Resources (HECToR) British national supercomputer.
NR 71
TC 3
Z9 3
U1 4
U2 39
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2015
VL 15
IS 3
BP 1385
EP 1409
DI 10.5194/acp-15-1385-2015
PG 25
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CB7IF
UT WOS:000349799500016
ER
PT J
AU Shi, X
Liu, X
Zhang, K
AF Shi, X.
Liu, X.
Zhang, K.
TI Effects of pre-existing ice crystals on cirrus clouds and comparison
between different ice nucleation parameterizations with the Community
Atmosphere Model (CAM5)
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID TROPICAL TROPOPAUSE LAYER; MICROWAVE IMAGER SSM/I; LIQUID WATER;
MICROPHYSICS SCHEME; AQUEOUS-SOLUTIONS; VERSION-3 CAM3; CLIMATE MODEL;
AEROSOLS; NUCLEI; SENSITIVITY
AB In order to improve the treatment of ice nucleation in a more realistic manner in the Community Atmosphere Model version 5.3 (CAM5.3), the effects of pre-existing ice crystals on ice nucleation in cirrus clouds are considered. In addition, by considering the in-cloud variability in ice saturation ratio, homogeneous nucleation takes place spatially only in a portion of the cirrus cloud rather than in the whole area of the cirrus cloud. Compared to observations, the ice number concentrations and the probability distributions of ice number concentration are both improved with the updated treatment. The pre-existing ice crystals significantly reduce ice number concentrations in cirrus clouds, especially at mid- to high latitudes in the upper troposphere (by a factor of similar to 10). Furthermore, the contribution of heterogeneous ice nucleation to cirrus ice crystal number increases considerably.
Besides the default ice nucleation parameterization of Liu and Penner (2005, hereafter LP) in CAM5.3, two other ice nucleation parameterizations of Barahona and Nenes (2009, hereafter BN) and Karcher et al. (2006, hereafter KL) are implemented in CAM5.3 for the comparison. In-cloud ice crystal number concentration, percentage contribution from heterogeneous ice nucleation to total ice crystal number, and pre-existing ice effects simulated by the three ice nucleation parameterizations have similar patterns in the simulations with present-day aerosol emissions. However, the change (present-day minus pre-industrial times) in global annual mean column ice number concentration from the KL parameterization (3.24 x 10(6) m(-2)) is less than that from the LP (8.46 x 10(6) m(-2)) and BN (5.62 x 10(6) m(-2)) parameterizations. As a result, the experiment using the KL parameterization predicts a much smaller anthropogenic aerosol long-wave indirect forcing (0.24 W m(-2)) than that using the LP (0.46 W m(-2)) and BN (0.39W m(-2)) parameterizations.
C1 [Shi, X.; Liu, X.] Univ Wyoming, Dept Atmospher Sci, Laramie, WY 82071 USA.
[Shi, X.] Hebei Key Lab Meteorol & Ecoenvironm, Shijiazhuang, Peoples R China.
[Shi, X.] Hebei Climate Ctr, Shijiazhuang, Peoples R China.
[Zhang, K.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
RP Liu, X (reprint author), Univ Wyoming, Dept Atmospher Sci, Laramie, WY 82071 USA.
EM xliu6@uwyo.edu
RI Liu, Xiaohong/E-9304-2011; Zhang, Kai/F-8415-2010
OI Liu, Xiaohong/0000-0002-3994-5955; Zhang, Kai/0000-0003-0457-6368
FU Office of Science of US Department of Energy as part of the Earth System
Modeling Program; National Natural Science Foundation of China
[41205071]; NCAR's Computational and Information Systems Laboratory; DOE
by Battelle Memorial Institute [DE-AC05-76RL01830]
FX X. Liu and K. Zhang were supported by the Office of Science of US
Department of Energy as part of the Earth System Modeling Program. X.
Shi would like to acknowledge the support from the National Natural
Science Foundation of China (grant no. 41205071). We would like to
acknowledge the use of computational resources (ark:/85065/d7wd3xhc) at
the NCAR-Wyoming Supercomputing Center provided by the National Science
Foundation and the State of Wyoming, and supported by NCAR's
Computational and Information Systems Laboratory. PNNL is a multiprogram
laboratory operated for DOE by Battelle Memorial Institute under
contract DE-AC05-76RL01830.
NR 85
TC 6
Z9 6
U1 1
U2 26
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2015
VL 15
IS 3
BP 1503
EP 1520
DI 10.5194/acp-15-1503-2015
PG 18
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CB7IF
UT WOS:000349799500024
ER
PT J
AU Le Page, Y
Morton, D
Bond-Lamberty, B
Pereira, JMC
Hurtt, G
AF Le Page, Y.
Morton, D.
Bond-Lamberty, B.
Pereira, J. M. C.
Hurtt, G.
TI HESFIRE: a global fire model to explore the role of anthropogenic and
weather drivers
SO BIOGEOSCIENCES
LA English
DT Article
ID BURNED AREA; FOREST-FIRES; VEGETATION MODEL; EARTH SYSTEM; EMISSIONS;
CLIMATE; DEFORESTATION; SENSITIVITY; DYNAMICS; PATTERNS
AB Vegetation fires are a major driver of ecosystem dynamics and greenhouse gas emissions. Anticipating potential changes in fire activity and their impacts relies first on a realistic model of fire activity (e.g., fire incidence and interannual variability) and second on a model accounting for fire impacts (e.g., mortality and emissions). In this paper, we focus on our understanding of fire activity and describe a new fire model, HESFIRE (Human-Earth System FIRE), which integrates the influence of weather, vegetation characteristics, and human activities on fires in a stand-alone framework. It was developed with a particular emphasis on allowing fires to spread over consecutive days given their major contribution to burned areas in many ecosystems. A subset of the model parameters was calibrated through an optimization procedure using observation data to enhance our knowledge of regional drivers of fire activity and improve the performance of the model on a global scale. Modeled fire activity showed reasonable agreement with observations of burned area, fire seasonality, and interannual variability in many regions, including for spatial and temporal domains not included in the optimization procedure. Significant discrepancies are investigated, most notably regarding fires in boreal regions and in xeric ecosystems and also fire size distribution. The sensitivity of fire activity to model parameters is analyzed to explore the dominance of specific drivers across regions and ecosystems. The characteristics of HESFIRE and the outcome of its evaluation provide insights into the influence of anthropogenic activities and weather, and their interactions, on fire activity.
C1 [Le Page, Y.; Bond-Lamberty, B.] Univ Maryland, Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA.
[Morton, D.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA.
[Pereira, J. M. C.] Univ Lisbon, Inst Super Agron, Ctr Estudos Florestais, P-1349017 Lisbon, Portugal.
[Hurtt, G.] Univ Maryland, Dept Geog Sci, College Pk, MD 20740 USA.
RP Le Page, Y (reprint author), Univ Maryland, Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA.
EM yannick.lepage@pnnl.gov
RI Pereira, Jose/I-1283-2014; Bond-Lamberty, Ben/C-6058-2008; Morton,
Douglas/D-5044-2012
OI Pereira, Jose/0000-0003-2583-3669; Bond-Lamberty,
Ben/0000-0001-9525-4633;
FU NASA Terrestrial Ecology and Inter-Disciplinary Studies programs; Office
of Science of the U.S. Department of Energy; DOE [DE-AC05-76RL01830]
FX The authors are grateful for research support provided by the NASA
Terrestrial Ecology and Inter-Disciplinary Studies programs. The authors
also wish to express appreciation to the Integrated Assessment Research
Program in the Office of Science of the U.S. Department of Energy for
partially funding this research. The Pacific Northwest National
Laboratory is operated for DOE by Battelle Memorial Institute under
contract DE-AC05-76RL01830. The views and opinions expressed in this
paper are those of the authors alone.
NR 60
TC 4
Z9 5
U1 3
U2 13
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
EI 1726-4189
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2015
VL 12
IS 3
BP 887
EP 903
DI 10.5194/bg-12-887-2015
PG 17
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA CB7FU
UT WOS:000349793100019
ER
PT J
AU Wei, H
Yang, HB
Ciesielski, PN
Donohoe, BS
McCann, MC
Murphy, AS
Peer, WA
Ding, SY
Himmel, ME
Tucker, MP
AF Wei, Hui
Yang, Haibing
Ciesielski, Peter N.
Donohoe, Bryon S.
McCann, Maureen C.
Murphy, Angus S.
Peer, Wendy A.
Ding, Shi-You
Himmel, Michael E.
Tucker, Melvin P.
TI Transgenic ferritin overproduction enhances thermochemical pretreatments
in Arabidopsis
SO BIOMASS & BIOENERGY
LA English
DT Article
DE Ferritin; Iron accumulation; Transgenic Arabidopsis; Biomass
saccharification; Dilute acid pretreatment; Prussian blue staining
ID IRON HOMEOSTASIS ALTERATION; DILUTE-ACID PRETREATMENT; STEAM EXPLOSION;
BINDING-PROTEIN; CORN STOVER; ACCUMULATION; BIOMASS; PLANTS; GENE;
TEMPERATURE
AB Reducing the severity of thermochemical pretreatment by incorporating iron ions as cocatalysts has been shown to enhance the sugar yield from dilute acid pretreatments and enzymatic saccharification. However, current approach of soaking iron containing acid solutions onto milled biomass prior to pretreatment is time-consuming and subject to diffusion limitations. Here, we overexpressed soybean ferritin protein intracellularly in Arabidopsis plants (referred to as FerIN) under the control of the 35S promoter for the purpose of accumulating iron ions in Arabidopsis plants. The transgenic Arabidopsis plants accumulated iron during growth under both normal and iron-augmented watering conditions. Prussian blue staining showed punctuate staining of iron predominantly on the interior surfaces of cell lumen in FerIN plants. The harvested transgenic biomass showed enhanced pretreatability, in that it released 13-19% more glucose and xylose than empty vector control plants. The data indicated a positive correlation between iron concentration and sugar release during pretreatment of transgenic biomass. (C) 2014 Elsevier Ltd. All rights reserved.
C1 [Wei, Hui; Ciesielski, Peter N.; Donohoe, Bryon S.; Ding, Shi-You; Himmel, Michael E.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA.
[Yang, Haibing; Murphy, Angus S.; Peer, Wendy A.] Purdue Univ, Dept Hort & Landscape Architecture, W Lafayette, IN 47907 USA.
[McCann, Maureen C.] Purdue Univ, Dept Biol Sci, W Lafayette, IN 47907 USA.
[Peer, Wendy A.] Univ Maryland, Dept Cellular & Mol Biosci, College Pk, MD 20742 USA.
[Ding, Shi-You] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA.
[Tucker, Melvin P.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA.
RP Wei, H (reprint author), Natl Renewable Energy Lab, Biosci Ctr, 15013 Denver W Pkwy, Golden, CO 80401 USA.
EM Hui.Wei@nrel.gov; Melvin.Tucker@nrel.gov
RI Peer, Wendy/H-2970-2013
OI Peer, Wendy/0000-0003-0046-7324
FU Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio);
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-SC0000997]; U.S. Department of Energy [DE-AC36-08-GO28308]
FX This work was supported by the Center for Direct Catalytic Conversion of
Biomass to Biofuels (C3Bio), an Energy Frontier Research Center funded
by the U.S. Department of Energy, Office of Science, Office of Basic
Energy Sciences under Award Number DE-SC0000997. The National Renewable
Energy Laboratory (NREL) is operated for the U.S. Department of Energy
under Contract No. DE-AC36-08-GO28308. We thank Manjunatha Narayana
Murthy, Troy Paddock and Xing-Ron Wu for the helpful discussions.
Technical support from Zhenyu Wang and Fan Chen at The Samuel Roberts
Noble Foundation is appreciated.
NR 40
TC 5
Z9 5
U1 7
U2 16
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0961-9534
EI 1873-2909
J9 BIOMASS BIOENERG
JI Biomass Bioenerg.
PD JAN
PY 2015
VL 72
BP 55
EP 64
DI 10.1016/j.biombioe.2014.11.022
PG 10
WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy &
Fuels
SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels
GA CB6FY
UT WOS:000349724100007
ER
PT J
AU Jardine, K
Yanez-Serrano, AM
Williams, J
Kunert, N
Jardine, A
Taylor, T
Abrell, L
Artaxo, P
Guenther, A
Hewitt, CN
House, E
Florentino, AP
Manzi, A
Higuchi, N
Kesselmeier, J
Behrendt, T
Veres, PR
Derstroff, B
Fuentes, JD
Martin, ST
Andreae, MO
AF Jardine, K.
Yanez-Serrano, A. M.
Williams, J.
Kunert, N.
Jardine, A.
Taylor, T.
Abrell, L.
Artaxo, P.
Guenther, A.
Hewitt, C. N.
House, E.
Florentino, A. P.
Manzi, A.
Higuchi, N.
Kesselmeier, J.
Behrendt, T.
Veres, P. R.
Derstroff, B.
Fuentes, J. D.
Martin, S. T.
Andreae, M. O.
TI Dimethyl sulfide in the Amazon rain forest
SO GLOBAL BIOGEOCHEMICAL CYCLES
LA English
DT Article
DE dimethyl sulfide; DMS; Amazon
ID VOLATILE SULFUR-COMPOUNDS; CARBONYL SULFIDE; TROPICAL FORESTS; MICROBIAL
DECOMPOSITION; OCEANIC PHYTOPLANKTON; OXIDATION-PRODUCTS; ATMOSPHERIC
SULFUR; EMISSIONS; AEROSOL; SOILS
AB Surface-to-atmosphere emissions of dimethyl sulfide (DMS) may impact global climate through the formation of gaseous sulfuric acid, which can yield secondary sulfate aerosols and contribute to new particle formation. While oceans are generally considered the dominant sources of DMS, a shortage of ecosystem observations prevents an accurate analysis of terrestrial DMS sources. Using mass spectrometry, we quantified ambient DMS mixing ratios within and above a primary rainforest ecosystem in the central Amazon Basin in real-time (2010-2011) and at high vertical resolution (2013-2014). Elevated but highly variable DMS mixing ratios were observed within the canopy, showing clear evidence of a net ecosystem source to the atmosphere during both day and night in both the dry and wet seasons. Periods of high DMS mixing ratios lasting up to 8h (up to 160parts per trillion (ppt)) often occurred within the canopy and near the surface during many evenings and nights. Daytime gradients showed mixing ratios (up to 80ppt) peaking near the top of the canopy as well as near the ground following a rain event. The spatial and temporal distribution of DMS suggests that ambient levels and their potential climatic impacts are dominated by local soil and plant emissions. A soil source was confirmed by measurements of DMS emission fluxes from Amazon soils as a function of temperature and soil moisture. Furthermore, light- and temperature-dependent DMS emissions were measured from seven tropical tree species. Our study has important implications for understanding terrestrial DMS sources and their role in coupled land-atmosphere climate feedbacks.
C1 [Jardine, K.] Lawrence Berkeley Natl Lab, Div Earth Sci, Climate Sci Dept, Berkeley, CA 94720 USA.
[Yanez-Serrano, A. M.; Jardine, A.; Florentino, A. P.; Manzi, A.; Higuchi, N.] Natl Inst Amazon Res, Manaus, Amazonas, Brazil.
[Williams, J.; Kesselmeier, J.; Behrendt, T.; Veres, P. R.; Derstroff, B.; Andreae, M. O.] Max Planck Inst Chem, Atmospher Chem Dept, D-55128 Mainz, Germany.
[Williams, J.; Kesselmeier, J.; Behrendt, T.; Veres, P. R.; Derstroff, B.; Andreae, M. O.] Max Planck Inst Chem, Biogeochem Dept, D-55128 Mainz, Germany.
[Kunert, N.] Max Planck Inst Biogeochem, D-07745 Jena, Germany.
[Taylor, T.] Univ Arizona, Dept Ecol & Evolut Biol, Tucson, AZ 85721 USA.
[Abrell, L.] Univ Arizona, Dept Chem, Tucson, AZ 85721 USA.
[Abrell, L.] Univ Arizona, Dept Biochem, Tucson, AZ 85721 USA.
[Abrell, L.] Univ Arizona, Dept Soil & Environm Sci, Tucson, AZ 85721 USA.
[Abrell, L.] Univ Arizona, Dept Water & Environm Sci, Tucson, AZ 85721 USA.
[Artaxo, P.] Univ Sao Paulo, Inst Phys, Sao Paulo, Brazil.
[Guenther, A.] Pacific Northwest Natl Lab, Richland, WA USA.
[Hewitt, C. N.; House, E.] Univ Lancaster, Lancaster Environm Ctr, Lancaster, England.
[Fuentes, J. D.] Penn State Univ, Dept Meteorol, Coll Earth & Mineral Sci, University Pk, PA 16802 USA.
[Martin, S. T.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA.
[Martin, S. T.] Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA.
RP Jardine, K (reprint author), Lawrence Berkeley Natl Lab, Div Earth Sci, Climate Sci Dept, Berkeley, CA 94720 USA.
EM kjjardine@lbl.gov
RI Veres, Patrick/E-7441-2010; Martin, Scot/G-1094-2015; Kesselmeier,
Jurgen/E-2389-2016; Artaxo, Paulo/E-8874-2010; Andreae,
Meinrat/B-1068-2008; Jardine, Kolby/N-2802-2013
OI Abrell, Leif/0000-0003-2490-1180; Veres, Patrick/0000-0001-7539-353X;
Martin, Scot/0000-0002-8996-7554; Kesselmeier,
Jurgen/0000-0002-4446-534X; YANEZ SERRANO, ANA
MARIA/0000-0001-6408-5961; Kunert, Norbert/0000-0002-5602-6221; Artaxo,
Paulo/0000-0001-7754-3036; Andreae, Meinrat/0000-0003-1968-7925;
Jardine, Kolby/0000-0001-8491-9310
FU Office of Science, Office of Biological and Environmental Research of
the U.S. Department of Energy, Terrestrial Ecosystem Science Program
[DE-AC02-05CH11231]; U.S. National Science Foundation through the
AMAZON-PIRE (Partnerships for International Research and Education)
award [0730305]; DFG [HALOPROC 763]; NERC CLAIRE-UK; German Max Planck
Society; Fundacao de Amparo a Pesquisa do Estado de Sao Paulo
FAPESP-AEROCLIMA 08/58100-2 [FAPESP-AEROCLIMA 08/58100-2]
FX The data used in this manuscript are available for free download at
www.archive.arm.gov. After logging in, registered users can find the
data link under the "Get special data" submenu. This research was
supported by the Director, Office of Science, Office of Biological and
Environmental Research of the U.S. Department of Energy under contract
DE-AC02-05CH11231 as part of their Terrestrial Ecosystem Science
Program. Additional funding for this project came from the U.S. National
Science Foundation through the AMAZON-PIRE (Partnerships for
International Research and Education) award (0730305), DFG project
HALOPROC 763, the NERC CLAIRE-UK project, and the German Max Planck
Society. This work was also supported by Fundacao de Amparo a Pesquisa
do Estado de Sao Paulo (FAPESP-AEROCLIMA 08/58100-2). We would like to
thank several individuals at the Instituto Nacional de Pesquisas da
Amazonia (INPA) in Manaus, Brazil, for logistics support including Veber
Moura, Roberta Pereira de Souza, and Erika Schloemp. Finally, we kindly
acknowledge Cor Becker for assistance in soil sampling from Suriname.
NR 60
TC 10
Z9 10
U1 4
U2 31
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 2015
VL 29
IS 1
BP 19
EP 32
DI 10.1002/2014GB004969
PG 14
WC Environmental Sciences; Geosciences, Multidisciplinary; Meteorology &
Atmospheric Sciences
SC Environmental Sciences & Ecology; Geology; Meteorology & Atmospheric
Sciences
GA CB8QB
UT WOS:000349894600002
ER
PT J
AU Berdnikov, VV
Somov, SV
Pentchev, L
Zihlmann, B
AF Berdnikov, V. V.
Somov, S. V.
Pentchev, L.
Zihlmann, B.
TI A drift detector system with anode and cathode readout in the GlueX
experiment
SO INSTRUMENTS AND EXPERIMENTAL TECHNIQUES
LA English
DT Article
AB A drift detector system designed to detect charged particle tracks in the GlueX experiment dedicated to study the nature of confinement is described. The key design features of the drift chambers associated with the requirement of a minimum material budget in the path of secondary particles are presented. The spatial resolution and the detection efficiency have been measured with cosmic rays using the automatic data acquisition system.
C1 [Berdnikov, V. V.; Somov, S. V.] Natl Res Nucl Univ, Moscow Engn Phys Inst, Moscow 115409, Russia.
[Pentchev, L.; Zihlmann, B.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA.
RP Berdnikov, VV (reprint author), Natl Res Nucl Univ, Moscow Engn Phys Inst, Kashirskoe Sh 31, Moscow 115409, Russia.
EM vvberdnikov@gmail.com
FU Jefferson Science Associated, LLC; U.S. DOE [DE-AC05-06OR23177]
FX This work was performed by the National Research Nuclear University,
Moscow Engineering Physics Institute, in collaboration with the Thomas
Jefferson Accelerator Facility as a part of the GlueX experiment under
financial support of the Jefferson Science Associated, LLC, which
operates the Thomas Jefferson Accelerator Facility for the United States
Department of Energy (U.S. DOE contract no. DE-AC05-06OR23177).
NR 2
TC 4
Z9 4
U1 1
U2 3
PU MAIK NAUKA/INTERPERIODICA/SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA
SN 0020-4412
EI 1608-3180
J9 INSTRUM EXP TECH+
JI Instrum. Exp. Tech.
PD JAN
PY 2015
VL 58
IS 1
BP 25
EP 29
DI 10.1134/S0020441215010030
PG 5
WC Engineering, Multidisciplinary; Instruments & Instrumentation
SC Engineering; Instruments & Instrumentation
GA CB8NP
UT WOS:000349887200004
ER
PT S
AU Server, WL
Nanstad, RK
AF Server, W. L.
Nanstad, R. K.
BE Soneda, N
TI Reactor pressure vessel (RPV) design and fabrication: the case of the
USA
SO IRRADIATION EMBRITTLEMENT OF REACTOR PRESSURE VESSELS (RPVS) IN NUCLEAR
POWER PLANTS
SE Woodhead Publishing Series in Energy
LA English
DT Article; Book Chapter
DE reactor pressure vessel (RPV) design; reactor pressure vessel (RPV)
fabrication; ASME Code
AB The general design following the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code and fabrication processes used in the USA for nuclear reactor pressure vessels (RPVs) are described. Also, several RPVs in countries other than the USA were designed and fabricated in the USA using the processes described here. Detailed knowledge of the design and fabrication information is necessary to assure long-term structural integrity and safe operation of the RPVs.
C1 [Server, W. L.] ATI Consulting, Black Mt, NC 28711 USA.
[Nanstad, R. K.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
RP Server, WL (reprint author), ATI Consulting, 6 Laurel Branch Dr,POB 879, Black Mt, NC 28711 USA.
EM williamser@aol.com; nanstadrk@ornl.gov
NR 4
TC 1
Z9 1
U1 1
U2 4
PU WOODHEAD PUBL LTD
PI CAMBRIDGE
PA ABINGTON HALL ABINGTON, CAMBRIDGE CB1 6AH, CAMBS, ENGLAND
SN 2044-9364
BN 978-0-85709-647-0; 978-1-84569-967-3
J9 WOODHEAD PUBL SER EN
PY 2015
IS 26
BP 3
EP 25
DI 10.1533/9780857096470.1.3
PG 23
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA BC0EG
UT WOS:000348986000002
ER
PT S
AU Server, WL
Nanstad, RK
AF Server, W. L.
Nanstad, R. K.
BE Soneda, N
TI Integrity and embrittlement management of reactor pressure vessels
(RPVs) in light-water reactors
SO IRRADIATION EMBRITTLEMENT OF REACTOR PRESSURE VESSELS (RPVS) IN NUCLEAR
POWER PLANTS
SE Woodhead Publishing Series in Energy
LA English
DT Article; Book Chapter
DE radiation embrittlement; pressurized thermal shock; fracture toughness;
pressure-temperature limit curves; structural integrity
AB Validation of the current and continued integrity approaches for the reactor pressure vessel (RPV) has been shown through the many years of safe operation of light-water reactor vessels. There have not been any vessel failures, and this fact is primarily due to proper embrittlement management programs and structural integrity assessment methods. Additionally, there have been several large-scale experiments performed to further validate the integrity of RPVs. This chapter is focused on the embrittlement and integrity management approaches used in different countries that are operating nuclear power plants.
C1 [Server, W. L.] ATI Consulting, Black Mt, NC 28711 USA.
[Nanstad, R. K.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
RP Server, WL (reprint author), ATI Consulting, 6 Laurel Branch Dr,POB 879, Black Mt, NC 28711 USA.
EM williamser@aol.com; nanstadrk@ornl.gov
NR 29
TC 0
Z9 0
U1 0
U2 1
PU WOODHEAD PUBL LTD
PI CAMBRIDGE
PA ABINGTON HALL ABINGTON, CAMBRIDGE CB1 6AH, CAMBS, ENGLAND
SN 2044-9364
BN 978-0-85709-647-0; 978-1-84569-967-3
J9 WOODHEAD PUBL SER EN
PY 2015
IS 26
BP 132
EP 155
DI 10.1533/9780857096470.2.132
PG 24
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA BC0EG
UT WOS:000348986000007
ER
PT S
AU Nanstad, RK
Server, WL
Sokolov, MA
Brumovsky, M
AF Nanstad, R. K.
Server, W. L.
Sokolov, M. A.
Brumovsky, M.
BE Soneda, N
TI Evaluating the fracture toughness of reactor pressure vessel (RPV)
materials subject to embrittlement
SO IRRADIATION EMBRITTLEMENT OF REACTOR PRESSURE VESSELS (RPVS) IN NUCLEAR
POWER PLANTS
SE Woodhead Publishing Series in Energy
LA English
DT Article; Book Chapter
DE fracture toughness; J-integral; master curve; irradiation; crack-arrest;
embrittlement; Charpy impact; nil-ductility transition (NDT)
temperature; pressurized water reactor (PWR)
ID MASTER CURVE ANALYSIS; FERRITIC STEELS; RADIATION; SPECIMENS; CHARPY
AB This chapter discusses the fracture toughness of reactor pressure vessel (RPV) materials as a consequence of service in a neutron irradiation environment. Fracture toughness of the materials is directly related to structural integrity of the operating RPV and the materials must be evaluated relative to their radiation sensitivity and effects on overall structural integrity. In radiation-sensitive steel, the fracture toughness is decreased and is the property used to describe the radiation-induced embrittlement. The chapter presents a brief history of the development of fracture mechanics followed by more detailed discussions of different aspects of material fracture toughness under both quasi-static and dynamic loading conditions.
C1 [Nanstad, R. K.; Sokolov, M. A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Server, W. L.] ATI Consulting, Black Mt, NC 28711 USA.
[Brumovsky, M.] Nucl Res Inst Rez Plc, Husinec Rez 25068, Czech Republic.
RP Nanstad, RK (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, 1 Bethel Valley Rd,MS 6138, Oak Ridge, TN 37831 USA.
EM nanstadrk@ornl.gov; williamser@aol.com; sokolovm@ornl.gov; bru@ujv.cz
NR 74
TC 0
Z9 0
U1 0
U2 1
PU WOODHEAD PUBL LTD
PI CAMBRIDGE
PA ABINGTON HALL ABINGTON, CAMBRIDGE CB1 6AH, CAMBS, ENGLAND
SN 2044-9364
BN 978-0-85709-647-0; 978-1-84569-967-3
J9 WOODHEAD PUBL SER EN
PY 2015
IS 26
BP 295
EP 332
DI 10.1533/9780857096470.3.295
PG 38
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA BC0EG
UT WOS:000348986000011
ER
PT J
AU Williams, PT
AF Williams, Paul T.
TI Lower Risk of Alzheimer's Disease Mortality with Exercise, Statin, and
Fruit Intake
SO JOURNAL OF ALZHEIMERS DISEASE
LA English
DT Article
DE Alzheimer's disease; diet; epidemiology; prevention; prospective cohort
study; running; statins; walking
ID CORONARY-HEART-DISEASE; MILD COGNITIVE IMPAIRMENT; CLINICAL-TRIAL
COHORT; MEDITERRANEAN DIET; PHYSICAL-ACTIVITY; VEGETABLE CONSUMPTION;
REDUCED RISK; VITAMIN-D; DEMENTIA; CHOLESTEROL
AB Background: Whether lifestyle affects Alzheimer's disease (AD) risk remains controversial.
Objective: Test whether exercise, diet, or statins affect AD mortality in 153,536 participants of the National Runners' and Walkers' Health Studies.
Methods: Hazard ratios (HR) and 95% confidence intervals (95% CI) were obtained from Cox proportional hazard analyses for AD mortality versus baseline metabolic equivalent (MET) hours/d of exercise energy expenditure (1 MET equals approximately 1 km run), statin use, and fruit intake when adjusted for age, race, gender, education, and exercise mode.
Results: The National Death Index identified 175 subjects who died with AD listed as an underlying (n = 116) or contributing (n = 59) cause of death during 11.6-year average mortality surveillance. Relative to exercising <1.07 MET-hours/d, AD mortality was 6.0% lower for 1.07 to 1.8 MET-hours/d (HR: 0.94, 95% CI: 0.59 to 1.46, p = 0.79), 24.8% lower for 1.8 to 3.6 MET-hours/d (HR: 0.75, 95% CI: 0.50 to 1.13, p = 0.17), and 40.1% lower for >= 3.6 MET-hours/d (HR: 0.60, 95% CI: 0.37 to 0.97, p = 0.04). Relative to non-use, statin use was associated with 61% lower AD mortality (HR: 0.39, 95% CI: 0.15 to 0.82, p = 0.01), whereas use of other cholesterol-lowering medications was not (HR: 0.78, 95% CI: 0.40 to 1.38, p = 0.42). Relative to <1 piece of fruit/day, consuming 2 to 3 pieces daily was associated with 39.7% lower AD mortality (HR: 0.60, 95% CI: 0.39 to 0.91, p = 0.02) and >= 3 pieces/day with 60.7% lower AD mortality (HR: 0.39, 95% CI: 0.22 to 0.67, p = 0.0004).
Conclusions: Exercise, statin, and fruit intake were associated with lower risk for AD mortality.
C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
RP Williams, PT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Donner 464,1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM ptwilliams@lbl.gov
FU National Heart, Lung, and Blood Institute [HL094717]
FX This research was supported by grant HL094717 from the National Heart,
Lung, and Blood Institute and was conducted at the Ernest Orlando
Lawrence Berkeley National Laboratory (Department of Energy
DE-AC03-76SF00098 to the University of California). The funders had no
role in study design, data collection and analysis, decision to publish,
or preparation of the manuscript. The authors have declared that no
competing interests exist. PTW had full access to all of the data in the
study and takes responsibility for the integrity of the data and the
accuracy of the data analysis.
NR 53
TC 9
Z9 9
U1 5
U2 20
PU IOS PRESS
PI AMSTERDAM
PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS
SN 1387-2877
EI 1875-8908
J9 J ALZHEIMERS DIS
JI J. Alzheimers Dis.
PY 2015
VL 44
IS 4
BP 1121
EP 1129
DI 10.3233/JAD-141929
PG 9
WC Neurosciences
SC Neurosciences & Neurology
GA CC0BW
UT WOS:000350001000008
PM 25408208
ER
PT J
AU Bridges, JC
Schwenzer, SP
Leveille, R
Westall, F
Wiens, RC
Mangold, N
Bristow, T
Edwards, P
Berger, G
AF Bridges, J. C.
Schwenzer, S. P.
Leveille, R.
Westall, F.
Wiens, R. C.
Mangold, N.
Bristow, T.
Edwards, P.
Berger, G.
TI Diagenesis and clay mineral formation at Gale Crater, Mars
SO JOURNAL OF GEOPHYSICAL RESEARCH-PLANETS
LA English
DT Article
DE Mars; Mars Science Laboratory; clay; Yellowknife Bay; diagenesis
ID GENERATED HYDROTHERMAL SYSTEMS; ALTERATION ASSEMBLAGES; MARTIAN
METEORITES; SATURATION STATE; YELLOWKNIFE BAY; NATURAL-WATERS; ORIGIN;
DISSOLUTION; EVOLUTION; PHYLLOSILICATES
AB The Mars Science Laboratory rover Curiosity found host rocks of basaltic composition and alteration assemblages containing clay minerals at Yellowknife Bay, Gale Crater. On the basis of the observed host rock and alteration minerals, we present results of equilibrium thermochemical modeling of the Sheepbed mudstones of Yellowknife Bay in order to constrain the formation conditions of its secondary mineral assemblage. Building on conclusions from sedimentary observations by the Mars Science Laboratory team, we assume diagenetic, in situ alteration. The modeling shows that the mineral assemblage formed by the reaction of a CO2-poor and oxidizing, dilute aqueous solution (Gale Portage Water) in an open system with the Fe-rich basaltic-composition sedimentary rocks at 10-50 degrees C and water/rock ratio (mass of rock reacted with the starting fluid) of 100-1000, pH of similar to 7.5-12. Model alteration assemblages predominantly contain phyllosilicates (Fe-smectite, chlorite), the bulk composition of a mixture of which is close to that of saponite inferred from Chemistry and Mineralogy data and to that of saponite observed in the nakhlite Martian meteorites and terrestrial analogues. To match the observed clay mineral chemistry, inhomogeneous dissolution dominated by the amorphous phase and olivine is required. We therefore deduce a dissolving composition of approximately 70% amorphous material, with 20% olivine, and 10% whole rock component.
C1 [Bridges, J. C.; Edwards, P.] Univ Leicester, Dept Phys & Astron, Space Res Ctr, Leicester LE1 7RH, Leics, England.
[Schwenzer, S. P.] Open Univ, Dept Phys Sci, Milton Keynes MK7 6AA, Bucks, England.
[Leveille, R.] McGill Univ, Dept Earth & Planetary Sci, Montreal, PQ, Canada.
[Westall, F.] CNRS, Ctr Biophys Mol, Orleans 2, France.
[Wiens, R. C.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Mangold, N.] CNRS, UMR6112, LPGN, Nantes, France.
[Mangold, N.] Univ Nantes, Nantes, France.
[Bristow, T.] NASA, Ames Res Ctr, Exobiol Branch, Moffett Field, CA 94035 USA.
[Berger, G.] Univ Toulouse 3, IRAP, CNRS, F-31062 Toulouse, France.
RP Bridges, JC (reprint author), Univ Leicester, Dept Phys & Astron, Space Res Ctr, Leicester LE1 7RH, Leics, England.
EM j.bridges@le.ac.uk
RI BERGER, Gilles/F-7118-2016;
OI Schwenzer, Susanne Petra/0000-0002-9608-0759
FU UKSA; OU Research Investment Fellowship
FX J.C.B. and S.P.S. are funded by UKSA. S.P.S. was in part funded by an OU
Research Investment Fellowship. The mineralogical data used for modeling
from the Mars Science Laboratory mission in this paper are available in
published articles, referred to in the text [e.g., Vaniman et al.,
2014].
NR 59
TC 12
Z9 12
U1 3
U2 22
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 2015
VL 120
IS 1
BP 1
EP 19
DI 10.1002/2014JE004757
PG 19
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA CC0WD
UT WOS:000350058500001
ER
PT J
AU Kellerman, AC
Shprits, YY
Makarevich, RA
Spanswick, E
Donovan, E
Reeves, G
AF Kellerman, A. C.
Shprits, Y. Y.
Makarevich, R. A.
Spanswick, E.
Donovan, E.
Reeves, G.
TI Characterization of the energy-dependent response of riometer absorption
SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS
LA English
DT Article
DE cosmic noise absorption; riometer; electron precipitation; radiation
belts; particle modeling; electron energy
ID AURORAL RADIO ABSORPTION; RADIATION BELT ELECTRONS; IMAGING RIOMETER;
RELATIVISTIC ELECTRONS; MORNING SECTOR; IONOSPHERIC ABSORPTION; RESONANT
DIFFUSION; SPIKE EVENTS; COSMIC NOISE; E-REGION
AB Ground-based riometers provide an inexpensive means to continuously remote sense the precipitation of electrons in the dynamic auroral region of Earth's ionosphere. The energy-dependent relationship between riometer absorption and precipitating electrons is thus of great importance for understanding the loss of electrons from the Earth's magnetosphere. In this study, statistical and event-based analyses are applied to determine the energy of electrons to which riometers chiefly respond. Time-lagged correlation analysis of trapped to precipitating fluxes shows that daily averaged absorption best correlates with approximate to 60 keV trapped electron flux at zero-time lag, although large variability is observed across different phases of the solar cycle. High-time resolution statistical cross-correlation analysis between signatures observed by riometer stations, and assuming electron motion due to gradient and curvature drift, results in inferred energies of 10-100 keV, with a clear maximum in occurrence for 40-60 keV electrons. One event is considered in detail utilizing riometer absorption signatures obtained from several stations. The mean inferred energies for the initial rise time and peak of the absorption after correction for electric field effects were approximate to 70 keV and approximate to 60 keV, respectively. The analyses presented provide a means to characterize the energy of electrons to which riometers are responding in both a statistical sense and during the evolution of individual events.
C1 [Kellerman, A. C.; Shprits, Y. Y.] Univ Calif Los Angeles, Dept Earth Planetary & Space Sci, Los Angeles, CA 90095 USA.
[Shprits, Y. Y.] MIT, Dept Earth Atmospher & Planetary Sci, Cambridge, MA 02139 USA.
[Shprits, Y. Y.] Skolkovo Inst Sci & Technol, Skolkovo, Moscow Region, Russia.
[Makarevich, R. A.] Univ Alaska Fairbanks, Inst Geophys, Fairbanks, AK 99775 USA.
[Makarevich, R. A.] Univ Alaska Fairbanks, Dept Phys, Fairbanks, AK USA.
[Spanswick, E.; Donovan, E.] Univ Calgary, Dept Phys & Astron, Calgary, AB T2N 1N4, Canada.
[Reeves, G.] Los Alamos Natl Lab, Space Sci & Applicat Grp, Los Alamos, NM USA.
RP Kellerman, AC (reprint author), Univ Calif Los Angeles, Dept Earth Planetary & Space Sci, Los Angeles, CA 90095 USA.
EM akellerman@igpp.ucla.edu
RI Kellerman, Adam/B-6525-2013; Reeves, Geoffrey/E-8101-2011;
OI Kellerman, Adam/0000-0002-2315-936X; Reeves,
Geoffrey/0000-0002-7985-8098; Donovan, Eric/0000-0002-8557-4155
FU NSF CEDAR [AGS-1243183]; UC Lab Fees Research Program [116720]
FX This research was supported by NSF CEDAR grant AGS-1243183 and UC Lab
Fees Research Program grant 116720. The authors would like to thank
Reeves et al. [2011] for providing the long-term daily averaged LANL/GEO
data set. The OMNI data are available at
ftp://nssdcftp.gsfc.nasa.gov/spacecraft_data/omni/omni2.txt, the
riometer data are available at
ftp://aurora.phys.ucalgary.ca/data/riometer/. This work used
computational and storage services associated with the Hoffman2 Shared
Cluster provided by UCLA Institute for Digital Research and Education's
Research Technology Group.
NR 77
TC 1
Z9 1
U1 0
U2 2
PU AMER GEOPHYSICAL UNION
PI WASHINGTON
PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA
SN 2169-9380
EI 2169-9402
J9 J GEOPHYS RES-SPACE
JI J. Geophys. Res-Space Phys.
PD JAN
PY 2015
VL 120
IS 1
BP 615
EP 631
DI 10.1002/2014JA020027
PG 17
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA CB8OX
UT WOS:000349891300040
ER
PT J
AU Venna, SR
Lartey, M
Li, T
Spore, A
Kumar, S
Nulwala, HB
Luebke, DR
Rosi, NL
Albenze, E
AF Venna, Surendar R.
Lartey, Michael
Li, Tao
Spore, Alex
Kumar, Santosh
Nulwala, Hunaid B.
Luebke, David R.
Rosi, Nathaniel L.
Albenze, Erik
TI Fabrication of MMMs with improved gas separation properties using
externally-functionalized MOF particles
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID MIXED-MATRIX MEMBRANES; METAL-ORGANIC FRAMEWORKS; CO2/CH4 SEPARATION;
GLASSY-POLYMERS; PORE-SIZE; ZEOLITE; NANO; PERFORMANCE; COMPOSITES;
ADSORPTION
AB Mixed matrix membranes (MMM) have the potential to overcome the limitations of traditional polymeric membranes for gas separation by improving both the permeability and selectivity. The most difficult challenge is accessing defect free and optimized MMM membranes. Defects are generally due to incompatible interfaces between the polymer and the filler particle. Herein, we present a new approach to modify and optimize the surface of UiO-66-NH2 based MOF particles to improve its interaction with Matrimid (R) polymer. A series of surface modified UiO-66-NH2 particles were synthesized and characterized using H-1 NMR spectroscopy, mass spectrometry, XPS, and powder X-ray diffraction. MMMs containing surface optimized MOF particles exhibit improved thermal and mechanical properties. Most importantly, the MMMs show significantly enhanced gas separation properties; CO2 permeability was increased by similar to 200% and CO2/N-2 ideal selectivity was increased by similar to 25%. These results confirm the success of the proposed technique to mitigate defective MOF/Matrimid (R) interfaces.
C1 [Venna, Surendar R.; Lartey, Michael; Kumar, Santosh; Nulwala, Hunaid B.; Luebke, David R.; Albenze, Erik] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[Venna, Surendar R.] W Virginia Univ, Corp Res, Morgantown, WV 26506 USA.
[Li, Tao; Spore, Alex; Rosi, Nathaniel L.] Univ Pittsburgh, Pittsburgh, PA 15260 USA.
[Nulwala, Hunaid B.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA.
[Albenze, Erik] URS Energy & Construct, Pittsburgh, PA 15236 USA.
[Lartey, Michael; Kumar, Santosh] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA.
RP Albenze, E (reprint author), Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
EM nrosi@pitt.edu; erik.albenze@netl.doe.gov
OI Nulwala, Hunaid/0000-0001-7481-3723
FU National Energy Technology Laboratory's ongoing research under the RES
[DE-FE0004000]
FX This technical effort was performed in support of the National Energy
Technology Laboratory's ongoing research under the RES contract
DE-FE0004000. The authors would like to thank Dr Brian Adzima and Dr
Elliot Roth for their input in thermal analysis of membrane using DSC.
NR 50
TC 26
Z9 26
U1 26
U2 119
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 2015
VL 3
IS 9
BP 5014
EP 5022
DI 10.1039/c4ta05225k
PG 9
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CC0AM
UT WOS:000349997000033
ER
PT J
AU Lv, LF
Chen, Z
Liu, GK
Huang, SM
Pan, YX
AF Lv, Lifen
Chen, Zhen
Liu, Guokui
Huang, Shaoming
Pan, Yuexiao
TI Optimized photoluminescence of red phosphor K2TiF6:Mn4+ synthesized at
room temperature and its formation mechanism
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID LIGHT-EMITTING-DIODES; OPTICAL-PROPERTIES; HF/KMNO4 SOLUTION; LED
APPLICATIONS; LUMINESCENCE
AB A red phosphor K2TiF6:Mn4+ (KTFM) has been synthesized by etching Ti(OC4H9)(4) in HF solution with KMnO4 and KF at room temperature for 30 min. The formation mechanism of red phosphor KTFM has been discussed based on detailed experimental results. We studied the influences of synthetic procedure and KMnO4 concentration on the powder color and intensity of phosphor luminescence. The actual doping concentration of Mn4+ in the K2TiF6 (KTF) host lattice of the phosphor has been investigated by measuring the concentration of filtrate through ICP-AES analysis. The results showed that about 32.4 mol% of Mn elements was doped into KTF crystals at optimal Mn4+ concentration (in precursor solution). The presence of HF was found to be essential to doping Mn4+ into KTF due to the weakly acidic and complexing properties of HF. The red luminescence of Mn4+ in KTF with a crystal structure matching standard card JCPDs (#28-0825), was first observed in the sample prepared from HF solution concentrations lower than 5 wt%. The dependence of the intensity of the luminescence on HF concentration might be due to the varying of Mn4+ concentrations in KTF crystals. Higher HF concentration was associated with lower yield, because KTF is soluble in HF at high concentrations. Encapsulation of the red phosphor KTFM with YAG:Ce on a GaN layer produces "warm" white LEDs with color rendering of 86 at 3251 K.
C1 [Lv, Lifen; Chen, Zhen; Huang, Shaoming; Pan, Yuexiao] Wenzhou Univ, Fac Chem & Mat Engn, Nanomat & Chem Key Lab, Wenzhou 325027, Zhejiang, Peoples R China.
[Liu, Guokui] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Pan, YX (reprint author), Wenzhou Univ, Fac Chem & Mat Engn, Nanomat & Chem Key Lab, Wenzhou 325027, Zhejiang, Peoples R China.
EM yxpan8@gmail.com
FU Chinese NSF [51102185]; Qianjiang Talents Project [R20131019]
FX This research was jointly supported by Chinese NSF (Grant no. 51102185)
and Qianjiang Talents Project (Grant no. R20131019).
NR 36
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Z9 26
U1 7
U2 63
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 2015
VL 3
IS 9
BP 1935
EP 1941
DI 10.1039/c4tc02097a
PG 7
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA CB6TG
UT WOS:000349759000008
ER
PT J
AU Borodin, O
Han, SD
Daubert, JS
Seo, DM
Yun, SH
Henderson, WA
AF Borodin, Oleg
Han, Sang-Don
Daubert, James S.
Seo, Daniel M.
Yun, Sung-Hyun
Henderson, Wesley A.
TI Electrolyte Solvation and Ionic Association VI. Acetonitrile-Lithium
Salt Mixtures: Highly Associated Salts Revisited
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID N,N'-AROMATIC BIDENTATE LIGANDS; MOLECULAR-DYNAMICS SIMULATIONS;
AMORPHOUS CONCENTRATED LIQUID; LI+ CATION COORDINATION; POLYMER
ELECTROLYTES; CRYSTAL-STRUCTURES; LOCAL STRUCTURES; GROUP-1 SALTS; BASE
RATIO; COMPLEXES
AB Molecular dynamics (MD) simulations of acetonitrile (AN) mixtures with LiBF4, LiCF3SO3 and LiCF3CO2 provide extensive details about the molecular- and mesoscale-level solution interactions and thus explanations as to why these electrolytes have very different thermal phase behavior and electrochemical/physicochemical properties. The simulation results are in full accord with a previous experimental study of these (AN)(n)-LiX electrolytes. This computational study reveals how the structure of the anions strongly influences the ionic association tendency of the ions, the manner in which the aggregate solvates assemble in solution and the length of time in which the anions remain coordinated to the Li+ cations in the solvates which result in dramatic variations in the transport properties of the electrolytes. (C) The Author(s) 2015. 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 [Borodin, Oleg] US Army Res Lab, Electrochem Branch, Adelphi, MD 20783 USA.
[Han, Sang-Don; Daubert, James S.; Seo, Daniel M.; Henderson, Wesley A.] N Carolina State Univ, Dept Chem & Biomol Engn, Ion Liquids & Electrolytes Energy Technol ILEET L, Raleigh, NC 27695 USA.
[Yun, Sung-Hyun] Gwangju Inst Sci & Technol, Sch Environm Sci & Engn, Kwangju 500712, South Korea.
[Henderson, Wesley A.] Pacific NW Natl Lab, Energy & Environm Directorate, Electrochem Mat & Syst EMS Grp, Richland, WA 99352 USA.
RP Borodin, O (reprint author), US Army Res Lab, Electrochem Branch, Adelphi, MD 20783 USA.
EM oleg.a.borodin.civ@mail.mil; Wesley.Henderson@pnnl.gov
RI Borodin, Oleg/B-6855-2012;
OI Borodin, Oleg/0000-0002-9428-5291; Daubert, James/0000-0002-8151-9191
FU Department of Energy [DE-IA01-11EE003413]; U.S. Army Research Laboratory
[DE-IA01-11EE003413]; U.S. Department of Energy, Office of Basic Energy
Sciences, Division of Materials Sciences and Engineering [DE-SC0002169]
FX The computational work was partially supported by an Interagency
Agreement between the U.S. Department of Energy and the U.S. Army
Research Laboratory under DE-IA01-11EE003413 for the Office of Vehicle
Technologies Programs including the Batteries for Advanced
Transportation Technologies (BATT) Program. The authors wish to also
express their gratitude to the U.S. Department of Energy, Office of
Basic Energy Sciences, Division of Materials Sciences and Engineering
which supported the evaluation of the computational work and preparation
of the manuscript under Award DE-SC0002169.
NR 41
TC 8
Z9 8
U1 3
U2 32
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 2015
VL 162
IS 4
BP A501
EP A510
DI 10.1149/2.0891503jes
PG 10
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CB7SG
UT WOS:000349827200002
ER
PT J
AU Dees, DW
Abraham, DP
Lu, WQ
Gallagher, KG
Bettge, M
Jansen, AN
AF Dees, Dennis W.
Abraham, Daniel P.
Lu, Wenquan
Gallagher, Kevin G.
Bettge, Martin
Jansen, Andrew N.
TI Electrochemical Modeling and Performance of a Lithium- and
Manganese-Rich Layered Transition-Metal Oxide Positive Electrode
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID ION BATTERIES; POROUS-ELECTRODE; CATHODE PERFORMANCE; COMPOSITE
CATHODES; INSERTION CELL; VOLTAGE FADE; IMPEDANCE; OPTIMIZATION;
CONDUCTIVITY; HYSTERESIS
AB The impedance of a lithium- and manganese-rich layered transition-metal oxide (MR-NMC) positive electrode, specifically Li1.2Ni0.15Mn0.55Co0.1O2, is compared to two other transition-metal layered oxide materials, specifically LiNi0.8Co0.15Al0.05O2 (NCA) and Li-1.05(Ni1/3Co1/3Mn1/3)(0.95)O-2 (NMC). A more detailed electrochemical impedance spectroscopy (EIS) study is conducted on the LMR-NMC electrode, which includes a range of states-of-charge (SOCs) for both current directions (i.e. charge and discharge) and two relaxation times (i.e. hours and one hundred hours) before the EIS sweep. The LMR-NMC electrode EIS studies are supported by half-cell constant current and galvanostatic intermittent titration technique (GITT) studies. Two types of electrochemical models are utilized to examine the results. The first type is a lithium ion cell electrochemical model for intercalation active material electrodes that includes a complex active material/electrolyte interfacial structure. The other is a lithium ion half-cell electrochemical model that focuses on the unique composite structure of the bulk LMR-NMC materials. (C) 2015 The Electrochemical Society. All rights reserved.
C1 [Dees, Dennis W.; Abraham, Daniel P.; Lu, Wenquan; Gallagher, Kevin G.; Bettge, Martin; Jansen, Andrew N.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Dees, DW (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM dees@anl.gov
RI Jansen, Andrew/Q-5912-2016
OI Jansen, Andrew/0000-0003-3244-7790
FU U.S. Department of Energy Office of Science laboratory
[DE-AC02-06CH11357]
FX Support from the Vehicle Technologies Program, Hybrid and Electric
Systems, David Howell (Team Lead) and Peter Faguy, at the U.S.
Department of Energy, Office of Energy Efficiency and Renewable Energy,
is gratefully acknowledged. The submitted manuscript has been created by
UChicago Argonne, LLC, Operator of Argonne National Laboratory
("Argonne"). Argonne, a U.S. Department of Energy Office of Science
laboratory, is operated under Contract No. DE-AC02-06CH11357. The U.S.
Government retains for itself, and others acting on its behalf, a
paid-up nonexclusive, irrevocable worldwide license in said article to
reproduce, prepare derivative works, distribute copies to the public,
and perform publicly and display publicly, by or on behalf of the
Government.
NR 44
TC 5
Z9 5
U1 9
U2 85
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 2015
VL 162
IS 4
BP A559
EP A572
DI 10.1149/2.0231504jes
PG 14
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CB7SG
UT WOS:000349827200010
ER
PT J
AU Deshpande, RD
Ridgway, P
Fu, YB
Zhang, W
Cai, JS
Battaglia, V
AF Deshpande, Rutooj D.
Ridgway, Paul
Fu, Yanbao
Zhang, Wei
Cai, Jinshu
Battaglia, Vincent
TI The Limited Effect of VC in Graphite/NMC Cells
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID LI-ION BATTERIES; SURFACE-FILM FORMATION; VINYLENE CARBONATE; NEGATIVE
ELECTRODE; FORMING ADDITIVES; CYCLE LIFE; PERFORMANCE; SPECTROSCOPY;
TEMPERATURE
AB Degradation at the electrode surfaces is one of the major reasons behind capacity fade in well-constructed batteries. The effect of electrolyte additives, in particular vinylene carbonate (VC), is studied extensively for different lithium-ion chemistries and is shown to improve columbic efficiency of some electrodes. We investigate the effect of VC additive in a graphite/NMC333 (lithiumnickel-manganese-cobalt oxide) cell. The addition of VC improves the rate performance, especially, at moderately high rates. A new three-electrode cell design with Li reference electrode was particularly useful in studying the rate performance of each electrode. The rate of side reactions is found to decrease with the addition of VC. Despite these important performance improvements, no significant improvement in the capacity retention is observed. This suggests that the side reactions in graphite/NCM cells consist of two types, (1) repairing cracked solid electrolyte interphase (SEI) on the negative electrode (results in a net consumption of Li from the positive electrode), (2) reforming SEI components that dissolve from the negative electrode and are oxidized at the positive electrode. The VC appears to reduce the second type but have negligible effect on the first. This indicates that columbic efficiency measurements are not a reliable indicator of cell cycle life. (C) The Author(s) 2014. Published by ECS. All rights reserved.
C1 [Deshpande, Rutooj D.] Ford Motor Co, Electrified Powertrain Engn, Detroit, MI 48124 USA.
[Ridgway, Paul; Fu, Yanbao; Zhang, Wei; Cai, Jinshu; Battaglia, Vincent] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy & Environm Technol Div, Berkeley, CA 94720 USA.
RP Deshpande, RD (reprint author), Ford Motor Co, Electrified Powertrain Engn, Detroit, MI 48124 USA.
EM rdeshpan@ford.com
RI Fu, Yanbao/F-9583-2011
OI Fu, Yanbao/0000-0001-7752-680X
FU BATT program; U.S. Department of Energy
FX The authors acknowledge the BATT program and the U.S. Department of
Energy for funding this project.
NR 22
TC 8
Z9 8
U1 6
U2 43
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 2015
VL 162
IS 3
BP A330
EP A338
DI 10.1149/2.0221503jes
PG 9
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CB7QZ
UT WOS:000349823700013
ER
PT J
AU Hudak, NS
Davis, LE
Nagasubramanian, G
AF Hudak, Nicholas S.
Davis, Lorie E.
Nagasubramanian, Ganesan
TI Cycling-Induced Changes in the Entropy Profiles of Lithium Cobalt Oxide
Electrodes
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID MONTE-CARLO SIMULATION; X-RAY-DIFFRACTION; LI-ION BATTERIES; MANGANESE
OXIDE; CAPACITY FADE; INTERCALATION; THERMODYNAMICS; GRAPHITE; CHARGE;
DISCHARGE
AB Entropy profiles of lithium cobalt oxide (LiCoO2) electrodes were measured at various stages in their cycle life to examine performance degradation and cycling-induced changes, or lack thereof, in thermodynamics. LiCoO2 electrodes were cycled at C/2 rate in half-cells (vs. lithium anodes) up to 20 cycles or C/5 rate in full cells (vs. MCMB anodes) up to 500 cycles. The electrodes were then subjected to entropy measurements (partial derivative E/partial derivative T, where E is open-circuit potential and T is temperature) in half-cells at regular intervals over the approximate range 0.5 <= x <= 1 in LixCoO2. Despite significant losses in capacity, the cycling did not result in any change to the overall shape of the entropy profile, indicating retention of the LiCoO2 structure, lithium insertion mechanism, and thermodynamics. This confirms that cycling-induced performance degradation in LiCoO2 electrodes is primarily caused by kinetic barriers that increase with cycling. Electrodes cycled at C/5 exhibited a subtle, quantitative, and gradual change in the entropy profile in the narrow potential range of the hexagonal-to-monoclinic phase transition. The observed change is indicative of a decrease in the intralayer lithium ordering that occurs at these potentials, and it demonstrates that a cycling-induced structural disorder accompanies the kinetic degradation mechanisms. (C) The Author(s) 2014. Published by ECS. All rights reserved.
C1 [Hudak, Nicholas S.; Davis, Lorie E.; Nagasubramanian, Ganesan] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Hudak, NS (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM nhudak@sandia.gov
RI Hudak, Nicholas/D-3529-2011
FU Laboratory Directed Research and Development program at Sandia National
Laboratories; U.S. Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]
FX The authors thank John Sullivan and Mark Rodriguez, both of Sandia
National Laboratories, for helpful discussions. The authors gratefully
acknowledge the financial support of the Laboratory Directed Research
and Development program at Sandia National Laboratories. Sandia National
Laboratories is a multiprogram laboratory managed and operated by Sandia
Corporation, a wholly owned subsidiary of Lockheed Martin Corporation,
for the U.S. Department of Energy's National Nuclear Security
Administration under contract DE-AC04-94AL85000.
NR 49
TC 2
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U1 2
U2 17
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 2015
VL 162
IS 3
BP A315
EP A321
DI 10.1149/2.0071503jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CB7QZ
UT WOS:000349823700011
ER
PT J
AU Knehr, KW
Eng, C
Chen-Wiegart, YCK
Wang, J
West, AC
AF Knehr, K. W.
Eng, Christopher
Chen-Wiegart, Yu-chen Karen
Wang, Jun
West, Alan C.
TI In Situ Transmission X-Ray Microscopy of the Lead Sulfate Film Formation
on Lead in Sulfuric Acid
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID ACTIVE-PASSIVE TRANSITION; EC-AFM; NEGATIVE ELECTRODES; ANODIC
OXIDATION; FORM PBSO4; BATTERIES; PB; MECHANISM; PERFORMANCE;
DISSOLUTION
AB Transmission X-ray microscopy is utilized to monitor, in real time, the behavior of the PbSO4 film that is formed on Pb in H2SO4. Images collected from the synchrotron x-rays are coupled with voltammetric data to study the initial formation, the resulting passivation, and the subsequent reduction of the film. It is concluded with support from quartz-crystal-microbalance experiments that the initial formation of PbSO4 crystals occurs as a result of acidic corrosion. In addition, the film is shown to coalesce during the early stages of galvanostatic oxidation and to passivate as a result of morphological changes in the existing film. Finally, it is observed that the passivation process results in the formation of large PbSO4 crystals with low area-to-volume ratios, which are difficult to reduce under both galvanostatic and potentiostatic conditions. (C) The Author(s) 2014. Published by ECS. All rights reserved.
C1 [Knehr, K. W.; West, Alan C.] Columbia Univ, Dept Chem Engn, New York, NY 10027 USA.
[Eng, Christopher; Chen-Wiegart, Yu-chen Karen; Wang, Jun] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
RP Knehr, KW (reprint author), Columbia Univ, Dept Chem Engn, New York, NY 10027 USA.
EM kwk2111@columbia.edu
RI Knehr, Kevin/R-4127-2016
OI Knehr, Kevin/0000-0001-5571-1537
FU National Science Foundation [1144155]; American Recovery and
Reinvestment Act through Department of Energy, Office of Science, Office
of Basic Energy Sciences; U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences [DE-AC02-98CH10886]
FX K. W. K. greatly acknowledges the support of the National Science
Foundation Graduate Research Fellowship under grant No. 1144155. 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.; This work was supported in
part by the American Recovery and Reinvestment Act funding through
Department of Energy, Office of Science, Office of Basic Energy
Sciences. Use of the National Synchrotron Light Source, Brookhaven
National Laboratory for this work was supported by the U.S. Department
of Energy, Office of Science, Office of Basic Energy Sciences under
Contract No. DE-AC02-98CH10886.
NR 41
TC 2
Z9 2
U1 3
U2 18
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 2015
VL 162
IS 3
BP A255
EP A261
DI 10.1149/2.0141503jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CB7QZ
UT WOS:000349823700002
ER
PT J
AU Lee, E
Koritala, R
Miller, DJ
Johnson, CS
AF Lee, Eungje
Koritala, Rachel
Miller, Dean J.
Johnson, Christopher S.
TI Aluminum and Gallium Substitution into 0.5Li(2)MnO3 center dot
0.5Li(Ni0.375Mn0.375Co0.25)O-2 Layered Composite and the Voltage Fade
Effect
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID LITHIUM-ION BATTERIES; X-RAY-DIFFRACTION; CATHODE MATERIALS;
ELECTROCHEMICAL PERFORMANCE; LOCAL-STRUCTURE; SECONDARY BATTERIES;
ELECTRON-MICROSCOPY; RECHARGEABLE CELLS; MANGANESE OXIDES; SPINEL PHASE
AB Lithium- and manganese- rich layered composite cathodes in the general form (Li2MnO3 center dot LiMO2; M = transition metals), suffer from voltage profile suppression during cycling in Li- ion cells leading to overall gradual energy losses in the system. The suppression in cathode voltage which is called ` voltage fade' is a general phenomenon for these class of materials which needs to be understood and mitigated for enabling this chemistry in advanced Li- ion cells. Synthetic manipulation of the composition in 0.5Li(2)MnO(3)center dot 0.5LiNi(0.375)Mn(0.375)Co(0.25)O(2) (= Li1.2Ni0.15Mn0.55Co0.1O2 in layered notation) cathode material via aluminum and gallium substitution (max. 10%) via sol- gel reaction was completed and the voltage fade percentage was measured following a prescribed electrochemical testing protocol. While the specific capacities (similar to 250 mAh/g) are unaffected by the Al and Ga substitution (up to 5%), similar to 3 to 4% of the impedance- corrected average voltage is still lost (first 25 cycles) which is comparable to what the pristine material experiences. This result suggests that the path of structural change that occurs in the material during Li cycling is unaltered by synthetic manipulation of octahedral and/or tetrahedral sites though the use of Al and Ga non- redox active cations. (C) The Author(s) 2014. Published by ECS. All rights reserved.
C1 [Lee, Eungje; Johnson, Christopher S.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Koritala, Rachel; Miller, Dean J.] Argonne Natl Lab, Electron Microscopy Ctr, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
RP Lee, E (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM eungje.lee@anl.gov
FU U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy; U.S. Department of Energy, Office of Science, Office of Basic
Energy Sciences [DE-AC02-06CH11357]; U.S. Department of Energy Office of
Science [DE-AC02-06CH11357]
FX Support from the Vehicle Technologies Program, Hybrid and Electric
Systems, in particular, David Howell, Tien Duong, and Peter Faguy, at
the U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy is gratefully acknowledged. Use of the Center for Nanoscale
Materials, including resources in the Electron Microscopy Center, was
supported by the U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences, under Contract No. DE-AC02-06CH11357.; The
submitted manuscript has been created by UChicago Argonne, LLC, Operator
of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department
of Energy Office of Science laboratory, is operated under Contract No.
DE-AC02-06CH11357. The U.S. Government retains for itself, and others
acting on its behalf, a paid-up, nonexclusive, irrevocable worldwide
license in said article to reproduce, prepare derivative works,
distribute copies to the public, and perform publicly and display
publicly, by or on behalf of the Government.
NR 46
TC 17
Z9 17
U1 7
U2 56
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 2015
VL 162
IS 3
BP A322
EP A329
DI 10.1149/2.0321503jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CB7QZ
UT WOS:000349823700012
ER
PT J
AU Schauser, NS
Harry, KJ
Parkinson, DY
Watanabe, H
Balsara, NP
AF Schauser, Nicole S.
Harry, Katherine J.
Parkinson, Dilworth Y.
Watanabe, Hiroshi
Balsara, Nitash P.
TI Lithium Dendrite Growth in Glassy and Rubbery Nanostructured Block
Copolymer Electrolytes
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID TIME-TEMPERATURE SUPERPOSITION; COMPOSITE POLYMER ELECTROLYTES;
ALKALI-METAL SALTS; POLY(ETHYLENE OXIDE); MOLECULAR-WEIGHT;
ELECTROCHEMICAL PROPERTIES; LITHIUM/POLYMER CELLS;
MECHANICAL-PROPERTIES; ORGANIC ELECTROLYTE; IONIC-CONDUCTIVITY
AB Enabling the use of lithium metal anodes is a critical step required to dramatically increase the energy density of rechargeable batteries. However, dendrite growth in lithium metal batteries, and a lack of fundamental understanding of the factors governing this growth, is a limiting factor preventing their adoption. Herein we present the effect of battery cycling temperature, ranging from 90 to 120 degrees C, on dendrite growth through a polystyrene-block-poly(ethylene oxide)-based electrolyte. This temperature range encompasses the glass transition temperature of polystyrene (107 degrees C). A slight increase in the cycling temperature of symmetric lithium-polymer-lithium cells from 90 to 105 degrees C results in a factor of five decrease in the amount of charge that can be passed before short circuit. Synchrotron hard X-ray microtomography experiments reveal a shift in dendrite location from primarily within the lithium electrode at 90 degrees C, to primarily within the electrolyte at 105 degrees C. Rheological measurements show a large change in mechanical properties over this temperature window. Time-temperature superposition was used to interpret the rheological data. Dendrite growth characteristics and cell lifetimes correlate with the temperature-dependent shift factors used for time-temperature superposition. Our work represents a step toward understanding the factors that govern lithium dendrite growth in viscoelastic electrolytes. (C) The Author(s) 2014. Published by ECS. All rights reserved.
C1 [Schauser, Nicole S.; Harry, Katherine J.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Schauser, Nicole S.; Harry, Katherine J.; Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Parkinson, Dilworth Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source Div, Berkeley, CA 94720 USA.
[Watanabe, Hiroshi] Kyoto Univ, Inst Chem Res, Uji, Kyoto 6110011, Japan.
[Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Balsara, Nitash P.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
RP Schauser, NS (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
EM nbalsara@berkeley.edu
FU Electron Microscopy of Soft Matter Program from the Office of Science,
Office of Basic Energy Sciences, Materials Sciences and Engineering
Division of the U.S. Department of Energy [DE-AC02-05CH11231]; BATT
program from the Vehicle Technologies program, through the Office of
Energy Efficiency and Renewable Energy under U.S. DOE
[DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences,
of the U.S. Department of Energy [DE-AC02-05CH11231]; National Science
Foundation Graduate Research Fellowship
FX We thank Jing Sun of the Lawrence Berkeley National Laboratory, for her
help with the DSC sample preparation and measurements. Primary funding
for the work was provided by the Electron Microscopy of Soft Matter
Program from the Office of Science, Office of Basic Energy Sciences,
Materials Sciences and Engineering Division of the U.S. Department of
Energy under Contract No. DE-AC02-05CH11231. The battery assembly
portion of the project was supported by the BATT program from the
Vehicle Technologies program, through the Office of Energy Efficiency
and Renewable Energy under U.S. DOE Contract DE-AC02-05CH11231. Hard
X-ray microtomography experiments were performed at the Advanced Light
Source which is supported by the Director, Office of Science, Office of
Basic Energy Sciences, of the U.S. Department of Energy under Contract
No. DE-AC02-05CH11231. Katherine J. Harry was supported by a National
Science Foundation Graduate Research Fellowship.
NR 67
TC 11
Z9 11
U1 13
U2 84
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 2015
VL 162
IS 3
BP A398
EP A405
DI 10.1149/2.0511503jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CB7QZ
UT WOS:000349823700022
ER
PT J
AU Takahashi, K
Srinivasan, V
AF Takahashi, Kenji
Srinivasan, Venkat
TI Examination of Graphite Particle Cracking as a Failure Mode in
Lithium-Ion Batteries: A Model-Experimental Study
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID HYBRID-ELECTRIC VEHICLES; DIFFUSION-COEFFICIENT; RATE CAPABILITY;
INDUCED STRESS; CAPACITY FADE; CELL; INTERCALATION; DEGRADATION;
SIMULATION; FRACTURE
AB Capacity fade in lithium-ion batteries remains an area of active research, with failure of the graphite anode thought to be an important contributor. While the formation of the solid electrolyte interphase and the subsequent loss of cyclable lithium have been well studied, mechanical degradation remains an area where ambiguity remains. While there appears to be little experimental evidence that suggest that macroscopic particle cracking occurs, mathematical models have suggested that this phenomenon is likely. The goal of this paper is to clarify this ambiguity by combining experimental cycling, mathematical stress modeling, and post-mortem microscopy. We experimentally determine an average diffusion coefficient of lithium in graphite using a thin-layer electrode and use this information in a diffusion-induced stress model. Our results suggest that cracking is not likely during lithiation due to the proximity of equilibrium potential to the cutoff potential. On delithiation, at 25 degrees C, even at 30 Crate cracking is unlikely while at -10 degrees C, a rate of 10 degrees C can lead to particle cracking. By extrapolating the results of the thin-layer electrode to a thick porous electrode, we found that graphite cracking is unlikely to occur during typical vehicle operations. (C) The Author(s) 2015. 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 [Takahashi, Kenji] Toyota Motor Co Ltd, Hybrid Vehicle Battery Unit, Dev Div, Toyota, Aichi 4718571, Japan.
[Takahashi, Kenji; Srinivasan, Venkat] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
RP Takahashi, K (reprint author), Toyota Motor Co Ltd, Hybrid Vehicle Battery Unit, Dev Div, Toyota, Aichi 4718571, Japan.
EM kenjitakahashi@mail.toyota.co.jp
FU 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 under the
Batteries for Advanced Transportation Technologies (BATT) Program.
NR 43
TC 15
Z9 15
U1 6
U2 43
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 2015
VL 162
IS 4
BP A635
EP A645
DI 10.1149/2.0281504jes
PG 11
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CB7SG
UT WOS:000349827200019
ER
PT J
AU Takeuchi, ES
Kim, YJ
Huang, JP
Marschilok, AC
Takeuchi, KJ
AF Takeuchi, Esther S.
Kim, Young Jin
Huang, Jianping
Marschilok, Amy C.
Takeuchi, Kenneth J.
TI Electrochemistry of Cu0.5VOPO4 center dot 2H(2)O: A Promising Mixed
Metal Phosphorous Oxide for Secondary Lithium based Batteries
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID X-RAY-DIFFRACTION; CATHODE MATERIAL; ABSORPTION SPECTROSCOPY;
HYDROTHERMAL SYNTHESIS; MECHANISTIC INSIGHTS; ION BATTERIES; IN-SITU;
PHOSPHATES; CUV2O6; LI
AB Bimetallic mixed metal vanadium phosphorous oxide structures (MM'PxOy) have been the subject of much recent electrochemistry study. In analogy to silver vanadium phosphorous oxides, this study involves copper vanadium phosphorous oxide. Under galvanostatic discharge in lithium anode cells, the Cu0.5VOPO4 center dot 2H(2)O (CuVPO) material delivered similar to 280 mAh/g to 1.5 V. Unlike silver vanadium phosphorous oxides, crystallographic evaluation indicated little structural change upon electrochemical reduction of CuVPO, with no significant change in interlayer spacing and no evidence of copper metal formation. Notably, secondary battery evaluation showed retention of similar to 100 mAh/g at C/20 with little fade, a significant improvement under repeated cycling relative to a related silver based material. (C) The Author(s) 2014. Published by ECS. All rights reserved.
C1 [Takeuchi, Esther S.; Huang, Jianping; Marschilok, Amy C.; Takeuchi, Kenneth J.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11790 USA.
[Takeuchi, Esther S.; Marschilok, Amy C.; Takeuchi, Kenneth J.] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11790 USA.
[Takeuchi, Esther S.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Kim, Young Jin] SUNY Buffalo, Dept Chem & Biol Engn, Buffalo, NY 14260 USA.
RP Takeuchi, ES (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11790 USA.
EM esther.takeuchi@stonybrook.edu; amy.marschilok@stonybrook.edu;
kenneth.takeuchi.1@stonybrook.edu
RI Huang, Jianping/C-9379-2014
OI Huang, Jianping/0000-0002-8391-1381
FU Department of Energy, Office of Basic Energy Sciences [DE-SC0008512];
National Institutes of Health from the National Heart, Lung, and Blood
Institute [1R01HL093044-01A1]
FX The synthesis, characterization, study as a secondary battery material,
and mechanistic investigation of the material as a function of
electrochemical reduction were supported by the Department of Energy,
Office of Basic Energy Sciences, under grant DE-SC0008512. Primary
battery use studies evaluating pulse performance were supported by the
National Institutes of Health under grant 1R01HL093044-01A1 from the
National Heart, Lung, and Blood Institute.
NR 31
TC 0
Z9 0
U1 3
U2 23
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 2015
VL 162
IS 3
BP A295
EP A299
DI 10.1149/2.0251503jes
PG 5
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CB7QZ
UT WOS:000349823700008
ER
PT J
AU Vogl, US
Lux, SF
Crumlin, EJ
Liu, Z
Terborg, L
Winter, M
Kostecki, R
AF Vogl, Ulrike S.
Lux, Simon F.
Crumlin, Ethan J.
Liu, Zhi
Terborg, Lydia
Winter, Martin
Kostecki, Robert
TI The Mechanism of SEI Formation on a Single Crystal Si(100) Electrode
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID LITHIUM-ION BATTERIES; ORGANIC CARBONATE ELECTROLYTES; GRAPHITE
NEGATIVE-ELECTRODES; NANO-SILICON ELECTRODE; THIN-FILM ELECTRODE; PLANE
SURFACE-AREA; SOLID-ELECTROLYTE; FLUOROETHYLENE CARBONATE;
PHOTOELECTRON-SPECTROSCOPY; NANOSILICON ELECTRODES
AB A fundamental study of interfacial phenomena on a Si(100) single crystal electrode in organic carbonate-based electrolytes was carried out. The SEI formation on the Si(100) single crystal electrode was investigated as a function of the electrolyte composition, electrode potential and LixSi lithiation degree. Fourier transform infrared spectroscopy (FTIR) and X-ray photon spectroscopy (XPS) studies of the SEI layer during early stages of SEI formation indicate a strong dependence of the SEI composition on the electrolyte compo