FN Thomson Reuters Web of Science™
VR 1.0
PT S
AU Wilbert, S
Kleindiek, S
Nouri, B
Geuder, N
Habte, A
Schwandt, M
Vignola, F
AF Wilbert, Stefan
Kleindiek, Stefan
Nouri, Bijan
Geuder, Norbert
Habte, Aron
Schwandt, Marko
Vignola, Frank
BE Rajpaul, V
Richter, C
TI Uncertainty of Rotating Shadowband Irradiometers and Si-Pyranometers
Including the Spectral Irradiance Error
SO SOLARPACES 2015: INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER
AND CHEMICAL ENERGY SYSTEMS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 21st International Conference on Concentrating Solar Power and Chemical
Energy Systems (SolarPACES)
CY OCT 13-16, 2015
CL Cape Town, SOUTH AFRICA
ID MODEL
AB Concentrating solar power projects require accurate direct normal irradiance (DNI) data including uncertainty specifications for plant layout and cost calculations. Ground measured data are necessary to obtain the required level of accuracy and are often obtained with Rotating Shadowband Irradiometers (RSI) that use photodiode pyranometers and correction functions to account for systematic effects. The uncertainty of Si-pyranometers has been investigated, but so far basically empirical studies were published or decisive uncertainty influences had to be estimated based on experience in analytical studies. One of the most crucial estimated influences is the spectral irradiance error because Si-photodiode-pyranometers only detect visible and color infrared radiation and have a spectral response that varies strongly within this wavelength interval. Furthermore, analytic studies did not discuss the role of correction functions and the uncertainty introduced by imperfect shading. In order to further improve the bankability of RSI and Si-pyranometer data, a detailed uncertainty analysis following the Guide to the Expression of Uncertainty in Measurement (GUM) has been carried out. The study defines a method for the derivation of the spectral error and spectral uncertainties and presents quantitative values of the spectral and overall uncertainties. Data from the PSA station in southern Spain was selected for the analysis. Average standard uncertainties for corrected 10 min data of 2 % for global horizontal irradiance (GHI), and 2.9 % for DNI (for GHI and DNI over 300 W/m(2)) were found for the 2012 yearly dataset when separate GHI and DHI calibration constants were used. Also the uncertainty in 1 min resolution was analyzed. The effect of correction functions is significant. The uncertainties found in this study are consistent with results of previous empirical studies.
C1 [Wilbert, Stefan; Kleindiek, Stefan; Nouri, Bijan] DLR, PSA, Inst Solar Res, Tabernas 04200, Spain.
[Geuder, Norbert] CSP Serv, Friedrich Ebert Ufer 30, D-51143 Cologne, Germany.
[Geuder, Norbert] Univ Appl Sci Stuttgart, Schellingstr 24, D-70147 Stuttgart, Germany.
[Habte, Aron] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
[Schwandt, Marko] Suntrace, Brandstwiete 46, D-20457 Hamburg, Germany.
[Vignola, Frank] Univ Oregon, Eugene, OR 97403 USA.
RP Wilbert, S (reprint author), DLR, PSA, Inst Solar Res, Tabernas 04200, Spain.
EM stefan.wilbert@dlr.de
OI Wilbert, Stefan/0000-0003-3573-3004
NR 22
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1386-3
J9 AIP CONF PROC
PY 2016
VL 1734
AR 150009
DI 10.1063/1.4949241
PG 11
WC Energy & Fuels; Physics, Applied
SC Energy & Fuels; Physics
GA BF1CY
UT WOS:000380374600216
ER
PT S
AU Zanino, R
Ho, CK
Romano, D
Savoldi, L
AF Zanino, R.
Ho, C. K.
Romano, D.
Savoldi, L.
BE Rajpaul, V
Richter, C
TI Preliminary Discrete Element Modeling of a Falling Particle Curtain for
CSP Central Tower Receivers
SO SOLARPACES 2015: INTERNATIONAL CONFERENCE ON CONCENTRATING SOLAR POWER
AND CHEMICAL ENERGY SYSTEMS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 21st International Conference on Concentrating Solar Power and Chemical
Energy Systems (SolarPACES)
CY OCT 13-16, 2015
CL Cape Town, SOUTH AFRICA
AB Current methods used to simulate the curtain thickness in a falling particle receiver lead to a poor agreement with the experiments. Here the Discrete Element Method (DEM) is proposed to address the problem, including both the top hopper and the interactions between particles in the model. Some first promising results are presented, showing an acceptable agreement between simulation and experiment for an ad-hoc set of input parameters. A sensitivity study provides a first assessment of the effects of the main input parameters of the model (boundary conditions at the release, particle Young's modulus, restitution coefficients and effective particle diameter) on the predicted curtain thickness.
C1 [Zanino, R.; Romano, D.; Savoldi, L.] Politecn Torino, Dipartimento Energia, Cso Duca Abruzzi 24, I-10129 Turin, Italy.
[Ho, C. K.] Sandia Natl Labs, Solar Technol Dept, POB 5800, Albuquerque, NM 87185 USA.
RP Zanino, R (reprint author), Politecn Torino, Dipartimento Energia, Cso Duca Abruzzi 24, I-10129 Turin, Italy.
EM roberto.zanino@polito.it
NR 6
TC 0
Z9 0
U1 1
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1386-3
J9 AIP CONF PROC
PY 2016
VL 1734
AR 030039
DI 10.1063/1.4949091
PG 6
WC Energy & Fuels; Physics, Applied
SC Energy & Fuels; Physics
GA BF1CY
UT WOS:000380374600067
ER
PT J
AU Alexander, JM
Bell, DM
Imre, D
Kleiber, PD
Grassian, VH
Zelenyuk, A
AF Alexander, J. M.
Bell, D. M.
Imre, D.
Kleiber, P. D.
Grassian, V. H.
Zelenyuk, A.
TI Measurement of size-dependent dynamic shape factors of quartz particles
in two flow regimes
SO AEROSOL SCIENCE AND TECHNOLOGY
LA English
DT Article
ID MINERAL DUST AEROSOL; SCATTERING; SPHEROIDS; MOBILITY
AB Understanding and modeling the behavior of quartz dust particles, commonly found in the atmosphere, requires knowledge of many relevant particle properties, including particle shape. This study uses a single particle mass spectrometer, a differential mobility analyzer, and an aerosol particle mass analyzer to measure quartz aerosol particles mobility (d(m)), vacuum aerodynamic, and volume equivalent diameters, mass, composition, effective density, and dynamic shape factor as a function of particle size, in both the free molecular and transition flow regimes. The results clearly demonstrate that dynamic shape factors can vary significantly as a function of particle size. For the quartz samples studied here, the dynamic shape factors increase with size, indicating that larger particles are significantly more aspherical than smaller particles. In addition, dynamic shape factors measured in the free-molecular (chi(v)) and transition (chi(t)) flow regimes can be significantly different, and these differences vary with the size of the quartz particles. For quartz, chi(v) of small (d(m) < 200 nm) particles is 1.25, while chi(v) of larger particles (d(m) similar to 440 nm) is 1.6, with a continuously increasing trend with particle size. In contrast, chi(t) of small particles starts at 1.1 increasing slowly to 1.34 for 550 nm diameter particles. The multidimensional particle characterization approach used here goes beyond determination of average properties for each size, to provide additional information about how the particle dynamic shape factor may vary even for particles with the same mass and volume equivalent diameter.
C1 [Alexander, J. M.; Kleiber, P. D.] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA.
[Bell, D. M.; Zelenyuk, A.] Pacific Northwest Natl Lab, Richland, WA 99354 USA.
[Imre, D.] Imre Consulting, Richland, WA USA.
[Grassian, V. H.] Univ Iowa, Dept Chem, Iowa City, IA USA.
RP Kleiber, PD (reprint author), Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA.; Zelenyuk, A (reprint author), Pacific Northwest Natl Lab, Richland, WA 99354 USA.
EM paul-kleiber@uiowa.edu
FU National Science Foundation [ATC1439045]; US Department of Energy,
Office of Science, Office of Basic Energy Sciences (BES), Division of
Chemical Sciences, Geosciences Biosciences; Office of Biological and
Environmental Research
FX This work was funded in part by the National Science Foundation under
Grant ATC1439045 (J.A., P.K., and V.G.). Any opinions, findings, and
conclusions or recommendations expressed in this material are those of
the authors and do not necessarily reflect the view of the National
Science Foundation. Work by A.Z. and the development of the advanced
single particle analysis methods (A.Z.) were supported by the US
Department of Energy, Office of Science, Office of Basic Energy Sciences
(BES), Division of Chemical Sciences, Geosciences & Biosciences. The
research was performed using EMSL, a DOE Office of Science User Facility
sponsored by the Office of Biological and Environmental Research and
located at Pacific Northwest National Laboratory.
NR 24
TC 1
Z9 1
U1 5
U2 5
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0278-6826
EI 1521-7388
J9 AEROSOL SCI TECH
JI Aerosol Sci. Technol.
PY 2016
VL 50
IS 8
BP 870
EP 879
DI 10.1080/02786826.2016.1200006
PG 10
WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences;
Meteorology & Atmospheric Sciences
SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric
Sciences
GA DR0VQ
UT WOS:000379625400011
ER
PT J
AU Zhou, CLE
AF Zhou, Carol L. Ecale
TI S2M: A Stochastic Simulation Model of Poliovirus Genetic State
Transition
SO BIOINFORMATICS AND BIOLOGY INSIGHTS
LA English
DT Article
DE picornavirus; replication; recombination; modeling; simulation; genome
evolution; genetic state transition; Sabin; Mahoney
ID MUTATION-RATES; VIRUS EVOLUTION; RNA VIRUSES; REPLICATION; CELLS;
RECOMBINATION; ROBUSTNESS; STRAIN
AB Modeling the molecular mechanisms that govern genetic variation can be useful in understanding the dynamics that drive genetic state transition in quasispecies viruses. For example, there is considerable interest in understanding how the relatively benign vaccine strains of poliovirus eventually revert to forms that confer neurovirulence and cause disease (ie, vaccine-derived poliovirus). This report describes a stochastic simulation model, S2M, which can be used to generate hypothetical outcomes based on known mechanisms of genetic diversity. S2M begins with predefined genotypes based on the Sabin-1 and Mahoney wild-type sequences, constructs a set of independent cell-based populations, and performs in-cell replication and cell-to-cell infection cycles while quantifying genetic changes that track the transition from Sabin-1 toward Mahoney. Realism is incorporated into the model by assigning defaults for variables that constrain mechanisms of genetic variability based roughly on metrics reported in the literature, yet these values can be modified at the command line in order to generate hypothetical outcomes driven by these parameters. To demonstrate the utility of S2M, simulations were performed to examine the effects of the rates of replication error and recombination and the presence or absence of defective interfering particles, upon reaching the end states of Mahoney resemblance (semblance of a vaccine-derived state), neurovirulence, genome fitness, and cloud diversity. Simulations provide insight into how modeled biological features may drive hypothetical outcomes, independently or in combination, in ways that are not always intuitively obvious.
C1 [Zhou, Carol L. Ecale] Lawrence Livermore Natl Lab, Computat Applicat & Res Dept, Livermore, CA USA.
RP Zhou, CLE (reprint author), Lawrence Livermore Natl Lab, Computat Applicat & Res Dept, Livermore, CA USA.
EM zhou4@llnl.gov
NR 34
TC 0
Z9 0
U1 0
U2 0
PU LIBERTAS ACAD
PI AUCKLAND
PA PO BOX 300-874, ALBANY 0752, AUCKLAND, 00000, NEW ZEALAND
SN 1177-9322
J9 BIOINFORM BIOL INSIG
JI Bioinform. Biol. Insights
PY 2016
VL 10
BP 81
EP 95
DI 10.4137/BBI.S38194
PG 15
WC Biochemical Research Methods
SC Biochemistry & Molecular Biology
GA DR8NW
UT WOS:000380155600003
ER
PT J
AU Lai, Y
Veser, G
AF Lai, Yungchieh
Veser, Gotz
TI The nature of the selective species in Fe-HZSM-5 for non-oxidative
methane dehydroaromatization
SO CATALYSIS SCIENCE & TECHNOLOGY
LA English
DT Article
ID FE-ZSM-5 CATALYSTS; ZSM-5 ZEOLITES; MO/HZSM-5 CATALYSTS; MO/ZSM-5
CATALYSTS; HZSM-5 ZEOLITE; ACID SITES; CONVERSION; BENZENE;
AROMATIZATION; REDUCTION
AB Conversion of natural gas to aromatics via non-oxidative dehydroaromatization (DHA) is a promising route to replace oil with a cheap and abundant domestic resource as feed-stock for the petrochemical industry. However, the reaction is still lacking a suitable catalyst system to-date. We present results from a study into the nature of the active species in Fe-containing HZSM-5 catalysts through the preparation of Fe-HZSM-5 via three different synthetic approaches: isomorphous substitution, wet ion exchange, and core-shell synthesis. By carefully investigating the impact of the preparation methods on the distribution of Fe species, and studying the catalytic performance of the resulting materials in methane DHA, we show that coking is reduced with increasing Fe dispersion and that highly (atomically) dispersed Fe2+ inside the zeolite micropores constitutes the selective species for DHA. However, the presence of Bronsted acid sites in the zeolite micropores results in continued coke formation due to secondary reactions of the aromatic product. Further optimization of the catalyst hence requires careful adjustment of this acidity.
C1 [Lai, Yungchieh; Veser, Gotz] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[Lai, Yungchieh; Veser, Gotz] Univ Pittsburgh, Swanson Sch Engn, Dept Chem Engn, Pittsburgh, PA 15260 USA.
RP Veser, G (reprint author), US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.; Veser, G (reprint author), Univ Pittsburgh, Swanson Sch Engn, Dept Chem Engn, Pittsburgh, PA 15260 USA.
EM gveser@pitt.edu
FU R. K. Mellon graduate fellowship
FX The authors would like to express their gratitude to Drs D. Shekhawat
and V. Abdel-Sayed for their help and assistance with NH3-TPD
analysis. Y. L. furthermore gratefully acknowledges support through a R.
K. Mellon graduate fellowship.
NR 47
TC 1
Z9 1
U1 18
U2 23
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 2016
VL 6
IS 14
BP 5440
EP 5452
DI 10.1039/c5cy02258d
PG 13
WC Chemistry, Physical
SC Chemistry
GA DQ8CZ
UT WOS:000379438000020
ER
PT J
AU Mason, HE
Begg, JD
Maxwell, RS
Kersting, AB
Zavarin, M
AF Mason, H. E.
Begg, J. D.
Maxwell, R. S.
Kersting, A. B.
Zavarin, M.
TI A novel solid-state NMR method for the investigation of trivalent
lanthanide sorption on amorphous silica at low surface loadings
SO ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS
LA English
DT Article
ID GAMMA-ALUMINA; MAGNETIC-SUSCEPTIBILITY; SPECTROSCOPY; TRLFS;
FLUORESCENCE; RELAXATION; ACTINIDES; EU(III); CALCITE; EXAFS
AB The modelling of radionuclide transport in the subsurface depends on a comprehensive understanding of their interactions with mineral surfaces. Spectroscopic techniques provide important insight into these processes directly, but at high concentrations are sometimes hindered by safety concerns and limited solubilities of many radionuclides, especially the actinides. Here we use Eu(III) as a surrogate for trivalent actinide species, and study Eu(III) sorption on the silica surface at pH 5 where sorption is fairly limited. We have applied a novel, surface selective solid-state nuclear magnetic resonance (NMR) technique to provide information about Eu binding at the silica surface at estimated surface loadings ranging from 0.1 to 3 nmol m(-2) (< 0.1% surface loading). The NMR results show that inner sphere Eu(III) complexes are evenly distributed across the silica surface at all concentrations, but that at the highest surface loadings there are indications that precipitates may form. These results illustrate that this NMR technique may be applied in solubility-limited systems to differentiate between adsorption and precipitation to better understand the interactions of radionuclides at solid surfaces.
C1 [Mason, H. E.; Begg, J. D.; Maxwell, R. S.; Kersting, A. B.; Zavarin, M.] Lawrence Livermore Natl Lab, Glenn T Seaborg Inst, Phys & Life Sci Directorate, 7000 East Ave, Livermore, CA 94550 USA.
RP Mason, HE (reprint author), Lawrence Livermore Natl Lab, Glenn T Seaborg Inst, Phys & Life Sci Directorate, 7000 East Ave, Livermore, CA 94550 USA.
EM mason42@lnll.gov
FU Subsurface Biogeochemical Research Program of the U.S. Department of
Energy's Office of Biological and Environmental Research; LLNL
[DE-AC52-07NA27344]
FX We thank R. Lindvall for ICP-MS analyses. This work was supported by the
Subsurface Biogeochemical Research Program of the U.S. Department of
Energy's Office of Biological and Environmental Research. Prepared by
LLNL under contract DE-AC52-07NA27344.
NR 33
TC 0
Z9 0
U1 5
U2 6
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7887
EI 2050-7895
J9 ENVIRON SCI-PROC IMP
JI Environ. Sci.-Process Impacts
PY 2016
VL 18
IS 7
BP 802
EP 809
DI 10.1039/c6em00082g
PG 8
WC Chemistry, Analytical; Environmental Sciences
SC Chemistry; Environmental Sciences & Ecology
GA DR5KE
UT WOS:000379941100004
PM 27291345
ER
PT J
AU Elvidge, S
Godinez, HC
Angling, MJ
AF Elvidge, Sean
Godinez, Humberto C.
Angling, Matthew J.
TI Improved forecasting of thermospheric densities using multi-model
ensembles
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID GENERAL-CIRCULATION MODEL; ASSIMILATION MODELS; CLIMATE FORECASTS;
COMBINATION; WEATHER; RANGE; SKILL
AB This paper presents the first known application of multi-model ensembles to the forecasting of the thermosphere. A multi-model ensemble (MME) is a method for combining different, independent models. The main advantage of using an MME is to reduce the effect of model errors and bias, since it is expected that the model errors will, at least partly, cancel. The MME, with its reduced uncertainties, can then be used as the initial conditions in a physics-based thermosphere model for forecasting. This should increase the forecast skill since a reduction in the errors of the initial conditions of a model generally increases model skill. In this paper the Thermosphere-Ionosphere Electrodynamic General Circulation Model (TIE-GCM), the US Naval Research Laboratory Mass Spectrometer and Incoherent Scatter radar Exosphere 2000 (NRLMSISE-00), and Global Ionosphere-Thermosphere Model (GITM) have been used to construct the MME. As well as comparisons between the MMEs and the "standard" runs of the model, the MME densities have been propagated forward in time using the TIE-GCM. It is shown that thermospheric forecasts of up to 6aEuro-h, using the MME, have a reduction in the root mean square error of greater than 60aEuro-%. The paper also highlights differences in model performance between times of solar minimum and maximum.
C1 [Elvidge, Sean; Angling, Matthew J.] Univ Birmingham, Space Environm & Radio Engn Grp, Birmingham, W Midlands, England.
[Godinez, Humberto C.] Los Alamos Natl Lab, Los Alamos, NM USA.
RP Elvidge, S (reprint author), Univ Birmingham, Space Environm & Radio Engn Grp, Birmingham, W Midlands, England.
EM s.elvidge@bham.ac.uk
NR 41
TC 1
Z9 1
U1 0
U2 0
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 2016
VL 9
IS 6
BP 2279
EP 2292
DI 10.5194/gmd-9-2279-2016
PG 14
WC Geosciences, Multidisciplinary
SC Geology
GA DQ7RB
UT WOS:000379404000016
ER
PT B
AU Hu, RL
Granderson, J
Agogino, A
AF Hu, R. Lily
Granderson, Jessica
Agogino, Alice
GP ASME
TI DETECTION OF CHILLER ENERGY EFFICIENCY FAULTS USING EXPECTATION
MAXIMIZATION
SO INTERNATIONAL DESIGN ENGINEERING TECHNICAL CONFERENCES AND COMPUTERS AND
INFORMATION IN ENGINEERING CONFERENCE, 2015, VOL 1B
LA English
DT Proceedings Paper
CT ASME International Design Engineering Technical Conferences and
Computers and Information in Engineering Conference
CY AUG 02-05, 2015
CL Boston, MA
SP ASME, Design Engn Div, ASME, Comp & Informat Engn Div
ID QUANTITATIVE MODEL; BUILDING SYSTEMS; PART II; DIAGNOSIS; PROGNOSTICS
AB To detect degradation in energy efficiency of a chiller in a chiller plant, a multivariate Gaussian mixture model is applied. This classification technique was selected to take advantage of an expected correlation between measurable state variables and equipment and operation specifications and system control targets. The hidden variable is the faultiness of the chiller and can take on one of three possible states. The five observed variables correspond to sensor measurements that are typically available and monitored in commercially available chiller plants. The fault detection algorithm is trained on simulated data for the Molecular Foundry at the Lawrence Berkeley National Laboratory and tested on measured sensor data. The results show that detection of severe faults and no faults are relatively accurate, while detection of moderate faults is sometimes mistaken for severe faults. The computation needs are moderate enough for deployment and continuous energy monitoring. Future research outlines the next steps in regards to sensitivity analyses with alternate probability density functions.
C1 [Hu, R. Lily; Agogino, Alice] Univ Calif Berkeley, Mech Engn, Berkeley, CA 94720 USA.
[Granderson, Jessica] Lawrence Berkeley Natl Lab, Bldg Technol & Urban Syst, Berkeley, CA 94720 USA.
RP Hu, RL (reprint author), Univ Calif Berkeley, Mech Engn, Berkeley, CA 94720 USA.
EM lhu@berkeley.edu; jgranderson@lbl.gov; agogio@berkeley.edu
NR 13
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5705-2
PY 2016
AR V01BT02A049
PG 11
WC Computer Science, Interdisciplinary Applications; Engineering,
Industrial; Engineering, Mechanical
SC Computer Science; Engineering
GA BF0XZ
UT WOS:000379883600049
ER
PT B
AU Yu, SF
Wang, SY
Lu, M
Zuo, L
AF Yu, Shifeng
Wang, Shuyu
Lu, Ming
Zuo, Lei
GP ASME
TI A Novel Micro Heater Integrated on Flexible Polyimide Substrate with
Fast Response and Uniform Temperature Distribution
SO INTERNATIONAL DESIGN ENGINEERING TECHNICAL CONFERENCES AND COMPUTERS AND
INFORMATION IN ENGINEERING CONFERENCE, 2015, VOL 4
LA English
DT Proceedings Paper
CT ASME International Design Engineering Technical Conferences and
Computers and Information in Engineering Conference
CY AUG 02-05, 2015
CL Boston, MA
SP ASME, Design Engn Div, ASME, Comp & Informat Engn Div
ID OPTIMIZATION; DESIGN
AB This paper presents a novel micro heater prepared on polyimide thin film with fast response and ultra-uniform temperature distribution in the heating area. The transparent polyimide thin film was fabricated by spin-coating, baking and curing the liquid polyimide on the silicon wafer. A gold heater together with the vanadium oxide based thermistor was integrated on the polyimide thin film. Due to the low thermal conductivity of the polyimide thin film, the MEMS heater could reach high temperature with low power consumption and fast response time. FEA method was applied to optimize the shape of the gold heater to achieve uniform temperature distribution along the heating area. A copper island was also deposited on the back of the heater to improve the uniformity of the temperature distribution. The vanadium oxide based temperature sensor with a high temperature coefficient of resistivity as 2.4% was used for the temperature sensing. The temperature variation among the heating area is less than 0.2 degrees C
C1 [Yu, Shifeng; Wang, Shuyu; Zuo, Lei] SUNY Stony Brook, Dept Mech Engn, Stony Brook, NY 11794 USA.
[Lu, Ming] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Zuo, Lei] Virginia Tech, Dept Mech Engn, Blacksburg, VA 24061 USA.
RP Zuo, L (reprint author), SUNY Stony Brook, Dept Mech Engn, Stony Brook, NY 11794 USA.; Zuo, L (reprint author), Virginia Tech, Dept Mech Engn, Blacksburg, VA 24061 USA.
EM leizuo@vt.edu
RI Zuo, Lei/B-3122-2017
NR 14
TC 0
Z9 0
U1 1
U2 1
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5711-3
PY 2016
AR V004T09A023
PG 7
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Industrial;
Engineering, Mechanical; Nanoscience & Nanotechnology
SC Science & Technology - Other Topics; Engineering
GA BF0YD
UT WOS:000379884000078
ER
PT J
AU Son, EJ
Kim, JH
Kim, K
Park, CB
AF Son, Eun Jin
Kim, Jae Hong
Kim, Kayoung
Park, Chan Beum
TI Quinone and its derivatives for energy harvesting and storage materials
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Review
ID SENSITIZED SOLAR-CELLS; LITHIUM-ION BATTERIES; MUSSEL-INSPIRED
POLYDOPAMINE; BIOCATALYZED ARTIFICIAL PHOTOSYNTHESIS; ELECTROACTIVE
ORGANIC-MOLECULES; REDOX-FLOW BATTERIES; VISIBLE-LIGHT; THIN-FILMS;
CHARGE-TRANSFER; ELECTRICAL-CONDUCTIVITY
AB In nature, quinone plays a vital role in numerous electrochemical reactions for energy transduction and storage; such processes include respiration and photosynthesis. For example, fast proton-coupled electron transfer between primary and secondary quinones in green plants triggers the rapid charge separation of chlorophyll molecules, achieving unparalleled photosynthesis with near-unity quantum yield. In addition, quinone-rich polymers such as eumelanin and polydopamine show unique optical and electrical properties (e.g., strong broadband absorbance or a switching response to external stimuli), mostly arising from their chemically disordered structures. Understanding the unique features of quinone and its derivatives can provide solutions to the construction of bio-inspired systems for energy harvesting and conversion. This paper reviews recent advances in the design of quinone-functionalized hybrid materials based on quinone's redox, electrical, optical, and metal chelating/reducing properties to determine these materials' applications in energy-harvesting and -storage systems, such as artificial photosynthetic platforms, rechargeable batteries, pseudocapacitors, phototransistors, plasmonic light harvesting platforms, and dye-sensitized solar cells.
C1 [Son, Eun Jin; Kim, Kayoung; Park, Chan Beum] Korea Adv Inst Sci & Technol, Dept Mat Sci & Engn, 335 Sci Rd, Daejeon 305701, South Korea.
[Kim, Jae Hong] Lawrence Berkeley Natl Lab, Mol Foundry, 67 Cyclotron Rd, Berkeley, CA 94720 USA.
RP Park, CB (reprint author), Korea Adv Inst Sci & Technol, Dept Mat Sci & Engn, 335 Sci Rd, Daejeon 305701, South Korea.
EM parkcb@kaist.ac.kr
RI Park, Chan Beum/C-1651-2011
FU National Research Foundation (NRF) via the Creative Research Initiative
Center, Republic of Korea [NRF-2015 R1A3A2066191]
FX We thank Dr Demetra Achilleos at the University of Cambridge for helpful
discussions on quinone-functionalized pseudocapacitive materials. This
study was supported by the National Research Foundation (NRF) via the
Creative Research Initiative Center (NRF-2015 R1A3A2066191), Republic of
Korea.
NR 251
TC 2
Z9 2
U1 69
U2 103
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 2016
VL 4
IS 29
BP 11179
EP 11202
DI 10.1039/c6ta03123d
PG 24
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA DR5TR
UT WOS:000379965800002
ER
PT S
AU Bulgakova, NM
Zhukov, VP
Mirza, I
Meshcheryakov, YP
Tomastik, J
Michalek, V
Haderkag, O
Fekete, L
Rubenchik, AM
Fedoruk, MP
Mocek, T
AF Bulgakova, Nadezhda M.
Zhukov, Vladimir P.
Mirza, Inam
Meshcheryakov, Yuri P.
Tomastik, Jan
Michalek, Vaclav
Haderkag, Ondrej
Fekete, Ladislav
Rubenchik, Alexander M.
Fedoruk, Mikhail P.
Mocek, Tomas
BE Neuenschwander, B
Roth, S
Grigoropoulos, CP
Makimura, T
TI Ultrashort-pulse laser processing of transparent materials: Insight from
numerical and semi-analytical models
SO LASER APPLICATIONS IN MICROELECTRONIC AND OPTOELECTRONIC MANUFACTURING
(LAMOM) XXI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Laser Applications in Microelectronic and Optoelectronic
Manufacturing XXI (LAMOM)
CY FEB 15-18, 2016
CL San Francisco, CA
SP SPIE, Okamoto Opt, Plymouth Grating Lab
DE femtosecond laser irradiation; dielectrics; laser-induced modification;
ablation threshold; modeling
ID WRITTEN WAVE-GUIDES; FEMTOSECOND-LASER; FUSED-SILICA; INDUCED BREAKDOWN;
OPTICAL-PROPERTIES; AMORPHOUS SIO2; DIELECTRICS; GLASS; DYNAMICS; FS
AB Interaction of ultrashort laser pulses with transparent materials is a powerful technique of modification of material properties for various technological applications. The physics behind laser-induced modification phenomenon is rich and still far from complete understanding. We present an overview of our models developed to describe processes induced by ultrashort laser pulses inside and on the surface of bulk glass. The most sophisticated model consists of two parts. The first part solves Maxwell's equations supplemented by the rate and hydrodynamics equations for free electrons. The model resolves spatiotemporal dynamics of free-electron population and yields the absorbed energy map. The latter serves as an initial condition for thermoelastoplastic simulations of material redistribution. The simulations performed for a wide range of irradiation conditions have allowed to clarify timescales at which modification occurs after single laser pulses. Simulations of spectrum of laser light scattered by laser-generated plasma revealed considerable blueshifting which increases with pulse energy. To gain insight into temperature evolution of a glass material under the surface irradiation conditions, we employ a model based on the rate equation describing free electron generation coupled with the energy equations for electrons and lattice. Swift heating of electron and lattice subsystems to extremely high temperatures at fs timescale has been found at laser fluences exceeding the threshold fluence by 2-3 times that can result in efficient bremsstrahlung emission from the irradiation spot. The mechanisms of glass ablation with ultrashort laser pulses are discussed by comparing with the experimental data. Finally, a model is outlined, developed for multi-pulse irradiation regimes, which enables gaining insight into the roles of defects and heat accumulation.
C1 [Bulgakova, Nadezhda M.; Mirza, Inam; Mocek, Tomas] ASCR, HiLASE Ctr, Inst Phys, Za Radnici 828, Dolni Brezany 25241, Czech Republic.
[Bulgakova, Nadezhda M.] RAS, Inst Thermophys, SB, 1 Lavrentyev Ave, Novosibirsk 630090, Russia.
[Zhukov, Vladimir P.; Fedoruk, Mikhail P.] RAS, Inst Computat Technol, SB, 6 Lavrentyev Ave, Novosibirsk 630090, Russia.
[Zhukov, Vladimir P.] Novosibirsk State Tech Univ, 20 Karl Marx Ave, Novosibirsk 630073, Russia.
[Meshcheryakov, Yuri P.] RAS, Design & Technol Branch Lavrentyev Inst Hydrodyna, SB, 29 Tereshkovoi Str, Novosibirsk 630090, Russia.
[Tomastik, Jan; Michalek, Vaclav] ASCR, Inst Phys, Joint Lab Optic Palacky Univ & Inst Phys, 17 Listopadu 50a, Olomouc 77207, Czech Republic.
[Haderkag, Ondrej] ASCR, Reg Ctr Adv Technol & Mat, Joint Lab Opt Palacky Univ & Inst Phys, 17 Listopadu 12, Olomouc 77146, Czech Republic.
ASCR, Inst Phys, Na Slovance 1999-2, Prague 18221, Czech Republic.
[Rubenchik, Alexander M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Fedoruk, Mikhail P.] Novosibirsk State Univ, 2 Pirogova Str, Novosibirsk 630090, Russia.
RP Bulgakova, NM (reprint author), ASCR, HiLASE Ctr, Inst Phys, Za Radnici 828, Dolni Brezany 25241, Czech Republic.; Bulgakova, NM (reprint author), RAS, Inst Thermophys, SB, 1 Lavrentyev Ave, Novosibirsk 630090, Russia.
EM nadezhda.bulgakova@hilase.cz
RI Mocek, Tomas/G-5344-2014; Fekete, Ladislav/F-7498-2011; Michalek,
Vaclav/G-5956-2014
NR 77
TC 2
Z9 2
U1 2
U2 7
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-970-2
J9 PROC SPIE
PY 2016
VL 9735
AR UNSP 97350N
DI 10.1117/12.2217585
PG 16
WC Engineering, Electrical & Electronic; Materials Science,
Multidisciplinary; Optics; Physics, Applied
SC Engineering; Materials Science; Optics; Physics
GA BF0ZU
UT WOS:000379995000014
ER
PT J
AU Xu, F
Ma, HY
Lei, SY
Sun, J
Chen, J
Ge, BH
Zhu, YM
Sun, LT
AF Xu, Feng
Ma, Hongyu
Lei, Shuangying
Sun, Jun
Chen, Jing
Ge, Binghui
Zhu, Yimei
Sun, Litao
TI In situ TEM visualization of superior nanomechanical flexibility of
shear-exfoliated phosphorene
SO NANOSCALE
LA English
DT Article
ID LAYER BLACK PHOSPHORUS; TRANSITION-METAL DICHALCOGENIDES; LIQUID-PHASE
EXFOLIATION; MECHANICAL-PROPERTIES; ELECTRONICS; OPTOELECTRONICS;
TRANSPARENT; FABRICATION; NANOSHEETS; FILMS
AB Recently discovered atomically thin black phosphorus (called phosphorene) holds great promise for applications in flexible nanoelectronic devices. Experimentally identifying and characterizing nanomechanical properties of phosphorene are challenging, but also potentially rewarding. This work combines for the first time in situ transmission electron microscopy (TEM) imaging and an in situ micro-manipulation system to directly visualize the nanomechanical behaviour of individual phosphorene nanoflakes. We demonstrate that the phosphorene nanoflakes can be easily bent, scrolled, and stretched, showing remarkable mechanical flexibility rather than fracturing. An out-of-plane plate-like bending mechanism and in-plane tensile strain of up to 34% were observed. Moreover, a facile liquid-phase shear exfoliation route has been developed to produce such mono-layer and few-layer phosphorene nanoflakes in organic solvents using only a household kitchen blender. The effects of surface tensions of the applied solvents on the ratio of average length and thickness (L/T) of the nanoflakes were studied systematically. The results reported here will pave the way for potential industrial-scale applications of flexible phosphorene nanoelectronic devices.
C1 [Xu, Feng; Lei, Shuangying; Sun, Jun; Sun, Litao] Southeast Univ, Minist Educ, Key Lab MEMS, SEU FEI Nanopico Ctr, Nanjing 210096, Jiangsu, Peoples R China.
[Xu, Feng; Zhu, Yimei] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
[Ma, Hongyu] China Univ Min & Technol, Res Ctr Internet Things, Xuzhou 221008, Peoples R China.
[Chen, Jing] Southeast Univ, Sch Elect Sci Engn, Nanjing 210096, Jiangsu, Peoples R China.
[Ge, Binghui] Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China.
[Sun, Litao] Southeast Univ, Joint Res Inst, Ctr Adv Mat & Manufacture, Suzhou 215123, Peoples R China.
[Sun, Litao] Monash Univ, Suzhou 215123, Peoples R China.
RP Xu, F; Sun, LT (reprint author), Southeast Univ, Minist Educ, Key Lab MEMS, SEU FEI Nanopico Ctr, Nanjing 210096, Jiangsu, Peoples R China.; Xu, F (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.; Ge, BH (reprint author), Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China.; Sun, LT (reprint author), Southeast Univ, Joint Res Inst, Ctr Adv Mat & Manufacture, Suzhou 215123, Peoples R China.; Sun, LT (reprint author), Monash Univ, Suzhou 215123, Peoples R China.
EM fxu@seu.edu.cn; bhge@iphy.ac.cn; slt@seu.edu.cn
FU National Basic Research Program of China (973 Program) [2015CB352106];
National Natural Science Foundation of China (NSFC) [61574034, 51372039,
91333118, 61274114, 11525415, 11327901, 11374332, 51420105003]; Jiangsu
Province Science and Technology Support Program [BK20141118,
BK20151417]; China Postdoctoral Science Foundation [2014M550259,
2015T80480]; U.S. DOE-BES [DE-AC02-98CH10886]
FX This work was supported by National Basic Research Program of China (973
Program, Grant No. 2015CB352106), National Natural Science Foundation of
China (NSFC, Grant No. 61574034, 51372039, 91333118, 61274114, 11525415,
11327901, 11374332 and 51420105003), Jiangsu Province Science and
Technology Support Program (Grant No. BK20141118 and BK20151417), China
Postdoctoral Science Foundation Funded Project (Grant No. 2014M550259
and 2015T80480). The work at Brookhaven National Laboratory is supported
by U.S. DOE-BES under Contract number DE-AC02-98CH10886.
NR 37
TC 0
Z9 0
U1 17
U2 24
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 2016
VL 8
IS 28
BP 13603
EP 13610
DI 10.1039/c6nr02487d
PG 8
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DR6OL
UT WOS:000380021100011
PM 27362430
ER
PT J
AU Merrill, DR
Sutherland, DR
Ditto, JJ
Moore, DB
Falmbigl, M
Medlin, DL
Johnson, DC
AF Merrill, Devin R.
Sutherland, Duncan R.
Ditto, Jeffrey J.
Moore, Daniel B.
Falmbigl, Matthias
Medlin, Douglas L.
Johnson, David C.
TI The synthesis of
[(PbSe)(1+delta)](m)(TiSe2)(n)[(SnSe2)(1+gamma)](m)(TiSe2)(n)
heterostructures with designed nanoarchitectures by self assembly of
amorphous precursors
SO NANOSCALE
LA English
DT Article
ID DER-WAALS HETEROSTRUCTURES; TRANSITION-METAL DICHALCOGENIDES;
FERECRYSTALLINE COMPOUNDS; LAYER COMPOUNDS; CHALCOGENIDES; GRAPHENE;
MOS2
AB Targeted heterostructures containing intergrown two dimensional (2D) layers of 3 different constituent layers, SnSe2, PbSe and TiSe2, were prepared by controlling the composition and sequence of elemental bilayers within a designed precursor. Varying the structure of the precursor enabled the number of structural units of each constituent and the sequence of crystalline 2D layers to be precisely controlled. The stacking of the 2D layers, their structures, and the segregation of the elements between them were determined using X-ray diffraction and electron microscopy techniques, with the observed sequence of the 2D layers consistent with the targeted intergrowth. This ability to prepare targeted heterostructures is critical, since the number of possible configurations in the final compound increases rapidly as the number of constituents increases, from almost 60 000 with two constituents to over 130 million with three constituents and to over 35 billion with four constituents for 20 or fewer distinct layers in the unit cell. This general route for synthesizing specific multiple component heterostructures will accelerate the feedback loop in this growing research area, permitting theorists to assume specific structures in the search for enhanced properties and providing experimentalists with crystallographically aligned samples to test these predictions.
C1 [Merrill, Devin R.; Sutherland, Duncan R.; Ditto, Jeffrey J.; Moore, Daniel B.; Falmbigl, Matthias; Johnson, David C.] 1253 Univ Oregon, Inst Mat Sci, Eugene, OR 97403 USA.
[Merrill, Devin R.; Sutherland, Duncan R.; Ditto, Jeffrey J.; Moore, Daniel B.; Falmbigl, Matthias; Johnson, David C.] 1253 Univ Oregon, Dept Chem, Eugene, OR 97403 USA.
[Medlin, Douglas L.] Sandia Natl Labs, Energy Nanomat Dept, Livermore, CA 94551 USA.
RP Johnson, DC (reprint author), 1253 Univ Oregon, Inst Mat Sci, Eugene, OR 97403 USA.; Johnson, DC (reprint author), 1253 Univ Oregon, Dept Chem, Eugene, OR 97403 USA.
EM davej@uoregon.edu
FU National Science Foundation [DMR-1266217]; U.S. Department of Energy's
National Nuclear Security Administration [DE-AC04-94AL85000];
Collaborative Access Team (CAT); Environmental Molecular Sciences
Laboratory; DOE's Office of Biological and Environmental Research at
PNNL; DOE [DE-AC05-76RL01830]
FX The authors acknowledge support from the National Science Foundation
under grant DMR-1266217. DLM acknowledges support through Sandia
National Laboratories, which is a multi-program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration under contract DE-AC04-94AL85000. We also
acknowledge support through the Collaborative Access Team (CAT): Pooled
Resources for Electron Microscopy Informatics, Education and Research
(PREMIER) Network Program through the Laboratory Directed Research and
Development (LDRD) Program Chemical Imaging Initiative at Pacific
Northwest National Laboratory (PNNL) and the Environmental Molecular
Sciences Laboratory, a national scientific user facility sponsored by
DOE's Office of Biological and Environmental Research at PNNL. PNNL is a
multiprogram national laboratory operated by Battelle for DOE under
Contract DE-AC05-76RL01830.
NR 36
TC 0
Z9 0
U1 6
U2 6
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 2016
VL 8
IS 28
BP 13646
EP 13651
DI 10.1039/c6nr03406c
PG 6
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DR6OL
UT WOS:000380021100016
PM 27363315
ER
PT S
AU Blackford, EB
Estepp, JR
Piasecki, AM
Bowers, MA
Klosterman, SL
AF Blackford, Ethan B.
Estepp, Justin R.
Piasecki, Alyssa M.
Bowers, Margaret A.
Klosterman, Samantha L.
BE Cote, GL
TI Long-range non-contact imaging photoplethysmography: Cardiac pulse wave
sensing at a distance
SO OPTICAL DIAGNOSTICS AND SENSING XVI: TOWARD POINT-OF-CARE DIAGNOSTICS
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Optical Diagnostics and Sensing XVI - Toward Point-of-Care
Diagnostics
CY FEB 15-16, 2016
CL San Francisco, CA
SP SPIE
DE imaging photoplethysmography (iPPG); non-contact photoplethysmography
(ncPPG); pulse rate (PR); vital sign measurement; blind source
separation (BSS); long range; camera; telephoto
ID INDEPENDENT COMPONENT ANALYSIS; HEART-RATE; AMBIENT LIGHT
AB Non-contact, imaging photoplethysmography uses photo-optical sensors to measure variations in light absorption, caused by blood volume pulsations, to assess cardiopulmonary parameters including pulse rate, pulse rate variability, and respiration rate. Recently, researchers have studied the applications and methodology of imaging photoplethysmography. Basic research has examined some of the variables affecting data quality and accuracy of imaging photoplethysmography including signal processing, imager parameters (e.g. frame rate and resolution), lighting conditions, subject motion, and subject skin tone. This technology may be beneficial for long term or continuous monitoring where contact measurements may be harmful (e.g. skin sensitivities) or where imperceptible or unobtrusive measurements are desirable. Using previously validated signal processing methods, we examined the effects of imager-to-subject distance on one-minute, windowed estimates of pulse rate. High-resolution video of 22, stationary participants was collected using an enthusiast-grade, mirrorless, digital camera equipped with a fully-manual, super-telephoto lens at distances of 25, 50, and 100 meters with simultaneous contact measurements of electrocardiography, and fingertip photoplethysmography. By comparison, previous studies have usually been conducted with imager-to-subject distances of up to only a few meters. Mean absolute error for one-minute, windowed, pulse rate estimates (compared to those derived from gold-standard electrocardiography) were 2.0, 4.1, and 10.9 beats per minute at distances of 25, 50, and 100 meters, respectively. Long-range imaging presents several unique challenges among which include decreased, observed light reflectance and smaller regions of interest. Nevertheless, these results demonstrate that accurate pulse rate measurements can be obtained from over long imager-to-participant distances given these constraints.
C1 [Blackford, Ethan B.; Bowers, Margaret A.; Klosterman, Samantha L.] Ball Aerosp & Technol Corp, 2875 Presidential Dr, Fairborn, OH 45324 USA.
[Estepp, Justin R.] Air Force Res Lab, 711th Human Performance Wing,2510 Fifth St, Wright Patterson AFB, OH 45433 USA.
[Piasecki, Alyssa M.] Oak Ridge Inst Sci & Educ, Wright Patterson AFB, OH 45433 USA.
RP Blackford, EB (reprint author), Ball Aerosp & Technol Corp, 2875 Presidential Dr, Fairborn, OH 45324 USA.
EM Ethan.Blackford.ctr@us.af.mil; Justin.Estepp@us.af.mil
NR 45
TC 0
Z9 0
U1 3
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 978-1-62841-949-8
J9 PROC SPIE
PY 2016
VL 9715
AR 971512
DI 10.1117/12.2208130
PG 17
WC Optics; Radiology, Nuclear Medicine & Medical Imaging
SC Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BF0ZW
UT WOS:000379998400030
ER
PT B
AU Cooper, CF
Taylor, PA
AF Cooper, Candice F.
Taylor, Paul A.
GP ASME
TI VIRTUAL SIMULATION OF BLAST, BEHIND-ARMOR BLUNT TRAUMA, AND PROJECTILE
PENETRATION LEADING TO INJURY OF LIFE-CRITICAL ORGANS IN THE HUMAN TORSO
SO PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS
AND EXPOSITION, 2015, VOL 3
LA English
DT Proceedings Paper
CT ASME International Mechanical Engineering Congress and Exposition
(IMECE2015)
CY NOV 13-19, 2015
CL Houston, TX
SP ASME
DE Torso; Blast; Personal Protective Equipment; Modeling & Simulation;
Wound-Injury Mechanics
ID NONPENETRATING BALLISTIC IMPACT; BRAIN-INJURY
AB Light body armor development for the warfighter is based on trial-and-error testing of prototype designs against ballistic projectiles. Torso armor testing against blast is virtually nonexistent but necessary to ensure adequate mitigation against injury to the heart and lungs. In this paper, we discuss the development of a high-fidelity human torso model and the associated modeling & simulation (M&S) capabilities. Using this torso model, we demonstrate the advantage of virtual simulation in the investigation of wound injury as it relates to the warfighter experience. Here, we present the results of virtual simulations of blast loading and ballistic projectile impact to the torso with and without notional protective armor. Our intent here is to demonstrate the advantages of applying a modeling and simulation approach to the investigation of wound injury and relative merit assessments of protective body armor.
C1 [Cooper, Candice F.; Taylor, Paul A.] Sandia Natl Labs, Terminal Ballist Technol, POB 5800, Albuquerque, NM 87185 USA.
RP Cooper, CF (reprint author), Sandia Natl Labs, Terminal Ballist Technol, POB 5800, Albuquerque, NM 87185 USA.
NR 16
TC 0
Z9 0
U1 1
U2 1
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5738-0
PY 2016
PG 10
WC Engineering, Mechanical
SC Engineering
GA BF0WR
UT WOS:000379703100061
ER
PT B
AU Haniff, S
Taylor, P
Brundage, A
Burnett, D
Cooper, C
Gullerud, A
Terpsma, R
AF Haniff, Shivonne
Taylor, Paul
Brundage, Aaron
Burnett, Damon
Cooper, Candice
Gullerud, Arne
Terpsma, Ryan
GP ASME
TI VIRTUAL SIMULATION OF THE EFFECTS OF INTRACRANIAL FLUID CAVITATION IN
BLAST-INDUCED TRAUMATIC BRAIN INJURY
SO PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS
AND EXPOSITION, 2015, VOL 3
LA English
DT Proceedings Paper
CT ASME International Mechanical Engineering Congress and Exposition
(IMECE2015)
CY NOV 13-19, 2015
CL Houston, TX
SP ASME
DE TBI; microscale model; cavitation; virtual simulation;
Tillotson-Brundage Equation-of-State
AB A microscale model of the brain was developed in order to understand the details of intracranial fluid cavitation and the damage mechanisms associated with cavitation bubble collapse due to blast-induced traumatic brain injury (TBI). Our macroscale model predicted cavitation in regions of high concentration of cerebrospinal fluid (CSF) and blood. The results from this macroscale simulation directed the development of the microscale model of the superior sagittal sinus (SSS) region. The microscale model includes layers of scalp, skull, dura, superior sagittal sinus, falx, arachnoid, subarachnoid spacing, pia, and gray matter. We conducted numerical simulations to understand the effects of a blast load applied to the scalp with the pressure wave propagating through the layers and eventually causing the cavitation bubbles to collapse. Collapse of these bubbles creates spikes in pressure and von Mises stress downstream from the bubble locations. We investigate the influence of cavitation bubble size, compressive wave amplitude, and internal bubble pressure. The results indicate that these factors may contribute to a greater downstream pressure and von Mises stress which could lead to significant tissue damage.
C1 [Haniff, Shivonne; Taylor, Paul; Brundage, Aaron; Burnett, Damon; Cooper, Candice; Gullerud, Arne; Terpsma, Ryan] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
RP Haniff, S (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM shaniff@sandia.gov
NR 15
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5738-0
PY 2016
PG 10
WC Engineering, Mechanical
SC Engineering
GA BF0WR
UT WOS:000379703100062
ER
PT B
AU Momen, AM
Kokou, E
Bansal, P
Gluesenkamp, KR
Abdelaziz, O
AF Momen, Ayyoub M.
Kokou, Edem
Bansal, Pradeep
Gluesenkamp, Kyle R.
Abdelaziz, Omar
GP ASME
TI PRELIMINARY INVESTIGATION OF NOVEL DIRECT CONTACT ULTRASONIC FABRIC
DRYING
SO PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS
AND EXPOSITION, 2015, VOL 6A
LA English
DT Proceedings Paper
CT ASME International Mechanical Engineering Congress and Exposition
(IMECE2015)
CY NOV 13-19, 2015
CL Houston, TX
SP ASME
AB Thermal evaporation of moisture from clothes is the main technique used in clothes dryers today. Most of the energy supplied is spent to provide the latent heat of evaporation of water (2.5MJ/kg). This paper presents a novel direct contact ultrasonic system to mechanically remove water from wet fabric. The vibrations from the transducers are transferred by direct contact to the water inside the narrow pores of the clothes. Breaking the capillary adhesion of moisture at the interface between air and water allows water to exit the clothes as cold mist. The cold mist also carries with it most impurities such as minerals or detergents. This cannot be achieved in thermal dryers where water evaporates and leaves the impurities behind. Mechanical extraction of water is expected to be more efficient since thermal processing is not required. The majority of the supplied energy is used to mechanically separate water from the fabric. Initial testing has revealed that it is possible to dry a 1 cm(2) piece of fabric from full saturation to a mere 0.4 % moisture content in just 14 seconds.
C1 [Momen, Ayyoub M.; Bansal, Pradeep; Gluesenkamp, Kyle R.; Abdelaziz, Omar] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Kokou, Edem] CUNY Bronx Community Coll, Bronx, NY USA.
RP Momen, AM (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
NR 10
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5743-4
PY 2016
AR V06AT07A026
PG 6
WC Engineering, Mechanical
SC Engineering
GA BF0WW
UT WOS:000379703500026
ER
PT B
AU Rabha, SS
Panday, R
Breault, G
Gopalan, B
Tucker, J
Rogers, W
AF Rabha, Swapna S.
Panday, Rupendranath
Breault, Greggory
Gopalan, Balaji
Tucker, Jonathan
Rogers, William
GP ASME
TI Carbon capture using amine-impregnated mesoporous sorbent in fixed and
bubbling beds
SO PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS
AND EXPOSITION, 2015, VOL 6A
LA English
DT Proceedings Paper
CT ASME International Mechanical Engineering Congress and Exposition
(IMECE2015)
CY NOV 13-19, 2015
CL Houston, TX
SP ASME
DE Carbon capture; NETL-32D; fixed bed; bubbling bed; carbon breakthrough
ID DIOXIDE CAPTURE; CO2 CAPTURE; AMBIENT AIR; FLUE-GAS; ADSORBENT;
ADSORPTION; REMOVAL; SILICA
AB Capture of carbon dioxide gas from a flue gas mixture (N-2:CO2 = 80:20) using amine-impregnated mesoporous sorbent (NETL-32D) was investigated in a small scale batch unit at ambient temperature and pressure. The variation of local bed temperature at different axial location of the bed, pressure drop across the bed, time to carbon breakthrough and adsorption capacity as a function of moisture content, bed heights and flow rates under both fixed bed and bubbling bed conditions was reported. Further, a time difference between the time to reach the peak bed pressure drop and temperature from the carbon breakthrough was established. The present findings are designed to offer a valuable data set for validation of CFD models studying carbon capture devices.
C1 [Rabha, Swapna S.; Panday, Rupendranath; Breault, Greggory; Gopalan, Balaji; Tucker, Jonathan; Rogers, William] Natl Energy Technol Lab, Morgantown, WV 26505 USA.
[Rabha, Swapna S.; Tucker, Jonathan] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37830 USA.
[Panday, Rupendranath; Breault, Greggory] REM Engn Serv PLLC, Morgantown, WV USA.
[Gopalan, Balaji] West Virginia Univ Res Corp, Morgantown, WV USA.
RP Rabha, SS (reprint author), Natl Energy Technol Lab, Morgantown, WV 26505 USA.; Rabha, SS (reprint author), Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37830 USA.
EM Swapna.Rabha@contr.netl.doe.gov; Pandayr@netl.doe.gov;
Greggory.Breault@contr.netl.doe.gov; GOPALANB@netl.doe.gov;
Jonathan.Tucker@contr.netl.doe.gov; William.Rogers@netl.doe.gov
NR 26
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5743-4
PY 2016
AR V06AT07A021
PG 8
WC Engineering, Mechanical
SC Engineering
GA BF0WW
UT WOS:000379703500021
ER
PT B
AU Barbier, C
Wendel, M
Felde, D
Daugherty, MC
AF Barbier, Charlotte
Wendel, Mark
Felde, David
Daugherty, Michael C.
GP ASME
TI NUMERICAL AND EXPERIMENTAL INVESTIGATION OF THE FLOW IN THE SNS JET FLOW
TARGET
SO PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS
AND EXPOSITION, 2015, VOL 7B
LA English
DT Proceedings Paper
CT ASME International Mechanical Engineering Congress and Exposition
(IMECE2015)
CY NOV 13-19, 2015
CL Houston, TX
SP ASME
ID PRESSURE WAVES; MERCURY TARGET; MITIGATION; DAMAGE
AB Computational Fluid Dynamic (CFD) numerical simulations were performed for the flow inside the Spallation Neutron Source jet-flow target vessel at Oak Ridge National Laboratory. Different flow rates and beam conditions were tested to cover all the functioning range of the target, but for brevity, only the nominal case with a mass flow rate of 185 kg/s and a beam power of 1.54MW is presented here. The heat deposition rate from the proton beam was computed using the general-purpose Monte Carlo radiation transport code MCNPX and the commercial CFD code ANSYS-CFX was used to determine the flow velocity in the mercury and the temperature fields in both the mercury and the stainless steel vessel. Boundary conditions, turbulence model and mesh effects are presented in depth. To validate the numerical approach, Particle Imagery Velocimetry (PIV) measurements on a water-loop setup with an acrylic jet flow target mock-up were performed and compared to the numerical simulations. It was found that a sustained wall jet was developed across the whole length of the vulnerable surface,
C1 [Barbier, Charlotte; Wendel, Mark; Felde, David; Daugherty, Michael C.] ORNL, Oak Ridge, TN USA.
RP Barbier, C (reprint author), ORNL, Oak Ridge, TN USA.
NR 6
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5747-2
PY 2016
AR V07BT09A033
PG 8
WC Engineering, Mechanical
SC Engineering
GA BF0XF
UT WOS:000379792000033
ER
PT B
AU Wells, BE
Bamberger, JA
Recknagle, KP
Enderlin, CW
Minette, MJ
Holton, LK
AF Wells, Beric E.
Bamberger, Judith Ann
Recknagle, Kurt P.
Enderlin, Carl W.
Minette, Michael J.
Holton, Langdon K.
GP ASME
TI APPLYING HANFORD TANK MIXING DATA TO DEFINE PULSE JET MIXER OPERATION
SO PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS
AND EXPOSITION, 2015, VOL 7B
LA English
DT Proceedings Paper
CT ASME International Mechanical Engineering Congress and Exposition
(IMECE2015)
CY NOV 13-19, 2015
CL Houston, TX
SP ASME
AB Pulse jet mixed (PJM) process vessels are being developed for storing, blending, and chemical processing of nuclear waste slurries at the Waste Treatment and Immobilization Plant (WTP) to be built at Hanford, Washington. These waste slurries exhibit variable process feed characteristics including Newtonian to non-Newtonian rheologies over a range of solids loadings. Waste feed to the WTP from the Hanford Tank Farms will be accomplished via the Waste Feed Delivery (WFD) system which includes million-gallon underground storage double-shell tanks (DSTs) with dual-opposed jet mixer pumps. Experience using WFD type jet mixer pumps to mobilize actual Hanford waste in DSTs may be used to establish design threshold criteria of interest to pulse jet mixed process vessel operation.
C1 [Wells, Beric E.; Bamberger, Judith Ann; Recknagle, Kurt P.; Enderlin, Carl W.; Minette, Michael J.] Pacific Northwest Natl Lab, Richland, WA 99352 USA.
[Holton, Langdon K.] US DOE, Richland, WA USA.
RP Wells, BE (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA.
NR 16
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5747-2
PY 2016
AR V07BT09A044
PG 8
WC Engineering, Mechanical
SC Engineering
GA BF0XF
UT WOS:000379792000044
ER
PT B
AU Geoghegan, P
Sharma, V
AF Geoghegan, Patrick
Sharma, Vishaldeep
GP ASME
TI NEUTRON IMAGING OF A TWO-PHASE REFRIGERANT FLOW
SO PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS
AND EXPOSITION, 2015, VOL 8B
LA English
DT Proceedings Paper
CT ASME International Mechanical Engineering Congress and Exposition
(IMECE2015)
CY NOV 13-19, 2015
CL Houston, TX
SP ASME
ID PLATE HEAT-EXCHANGER; RADIOGRAPHY
AB Void fraction remains a crucial parameter in understanding and characterizing two-phase flow. It appears as a key variable in both heat transfer and pressure drop correlations of two-phase flows, from the macro to micro-channel scale. Void fraction estimation dictates the sizing of both evaporating and condensing phase change heat exchangers, for example. In order to measure void fraction some invasive approach is necessary. Typically, visualization is achieved either downstream of the test section or on top by machining to expose the channel. Both approaches can lead to inaccuracies. The former assumes the flow will not be affected moving from the heat exchanger surface to the transparent section. The latter distorts the heat flow path.
Neutron Imaging can provide a non-invasive measurement because metals such as Aluminum are essentially transparent to neutrons. Hence, if a refrigerant is selected that provides suitable neutron attenuation; steady-state void fraction measurements in two-phase flow are attainable in-situ without disturbing the fluid flow or heat flow path.
Neutron Imaging has been used in the past to qualitatively describe the flow in heat exchangers in terms of maldistributions without providing void fraction data. This work is distinguished from previous efforts because the heat exchanger has been designed and the refrigerant selected to avail of neutron imaging.
This work describes the experimental flow loop that enables a boiling two-phase flow; the heat exchanger test section and downstream transparent section are described. The flow loop controls the degree of subcooling and the refrigerant flowrate. Heating cartridges embedded in the test section are employed to control the heat input. Neutron-imaged steady-state void fraction measurements are captured and compared to representative high-speed videography captured at the visualization section. This allows a qualitative comparison between neutron imaged and traditional techniques. The measurements are also compared to correlations in the literature.
Preliminary void fraction images from a macro-channel flow are presented, consisting of 1 channel, 4mm wide, 4mm high and 83.32mm long. Flow regime identification is examined.
The experiments were conducted at the High Flux Isotope Reactor (HFIR) Cold Guide 1D neutron imaging facility at Oak Ridge National Laboratory, Oak Ridge, TN, USA.
C1 [Geoghegan, Patrick; Sharma, Vishaldeep] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Geoghegan, P (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM geogheganpj@ornl.gov; sharmav@ornl.gov
NR 7
TC 0
Z9 0
U1 2
U2 2
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5750-2
PY 2016
AR V08BT10A052
PG 5
WC Engineering, Mechanical
SC Engineering
GA BF0XH
UT WOS:000379792700052
ER
PT B
AU Tencer, J
AF Tencer, John
GP ASME
TI A COMPARISON OF ANGULAR DISCRETIZATION TECHNIQUES FOR THE RADIATIVE
TRANSPORT EQUATION
SO PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS
AND EXPOSITION, 2015, VOL 8B
LA English
DT Proceedings Paper
CT ASME International Mechanical Engineering Congress and Exposition
(IMECE2015)
CY NOV 13-19, 2015
CL Houston, TX
SP ASME
ID HEAT-TRANSFER; FORMULATION
AB Two of the most popular deterministic radiation transport methods for treating the angular dependence of the radiative intensity for heat transfer: the discrete ordinates and simplified spherical harmonics approximations are compared. A problem with discontinuous boundary conditions is included to evaluate ray effects for discrete ordinates solutions. Mesh resolution studies are included to ensure adequate convergence and evaluate the effects of the contribution of false scattering. All solutions are generated using finite element spatial discretization. Where applicable, any stabilization used is included in the description of the approximation method or the statement of the governing equations. A previous paper by the author presented results for a set of 2D benchmark problems for the discrete ordinates method using the PN-TN quadrature of orders 4, 6, and 8 as well as the P1, M1, and SP3 approximations. This paper expands that work to include the Lathrop-Carlson level symmetric quadrature of order up to 20 as well as the Lebedev quadrature of order up to 76 and simplified spherical harmonics of odd orders from 1 to 15. Two 3D benchmark problems are considered here. The first is a canonical problem of a cube with a single hot wall. This case is used primarily to demonstrate the potentially unintuitive interaction between mesh resolution, quadrature order, and solution error. The second case is meant to be representative of a pool fire. The temperature and absorption coefficient distributions are defined analytically. In both cases, the relative error in the radiative flux or the radiative flux divergence within a volume is considered as the quantity of interest as these are the terms that enter into the energy equation. The spectral dependence of the optical properties and the intensity is neglected.
C1 [Tencer, John] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Tencer, J (reprint author), Sandia Natl Labs, Albuquerque, NM 87185 USA.
NR 22
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5750-2
PY 2016
AR V08BT10A034
PG 7
WC Engineering, Mechanical
SC Engineering
GA BF0XH
UT WOS:000379792700034
ER
PT B
AU Littlewood, D
Hillman, M
Yreux, E
Bishop, J
Beckwith, F
Chen, JS
AF Littlewood, David
Hillman, Mike
Yreux, Edouard
Bishop, Joseph
Beckwith, Frank
Chen, Jiun-Shyan
GP ASME
TI IMPLEMENTATION AND VERIFICATION OF RKPM IN THE SIERRA/SOLIDMECHANICS
ANALYSIS CODE
SO PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS
AND EXPOSITION, 2015, VOL 9
LA English
DT Proceedings Paper
CT ASME International Mechanical Engineering Congress and Exposition
(IMECE2015)
CY NOV 13-19, 2015
CL Houston, TX
SP ASME
ID CONFORMING NODAL INTEGRATION; LARGE-DEFORMATION ANALYSIS; KERNEL
PARTICLE METHODS; MESH-FREE METHODS; BOUNDARY; IMPACT
AB The reproducing kernel particle method (RKPM) is a mesh free method for computational solid mechanics that can be tailored for an arbitrary order of completeness and smoothness. The primary advantage of RKPM relative to standard finite element (FE) approaches is its capacity to model large deformations, material damage, and fracture. Additionally, the use of a meshfree approach offers great flexibility in the domain discretization process and reduces the complexity of mesh modifications such as adaptive refinement.
We present an overview of the RKPM implementation in the Sierra/SolidMechanics analysis code, with a focus on verification, validation, and software engineering for massively parallel computation. Key details include the processing of meshfree discretizations within a FE code, RKPM solution approximation and domain integration, stress update and calculation of internal force, and contact modeling. The accuracy and performance of RKPM are evaluated using a set of benchmark problems. Solution verification, mesh convergence, and parallel scalability are demonstrated using a simulation of wave propagation along the length of a bar. Initial model validation is achieved through simulation of a Taylor bar impact test. The RKPM approach is shown to be a viable alternative to standard FE techniques that provides additional flexibility to the analyst community.
C1 [Littlewood, David; Bishop, Joseph] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Hillman, Mike; Yreux, Edouard; Beckwith, Frank; Chen, Jiun-Shyan] Univ Calif San Diego, La Jolla, CA 92093 USA.
RP Littlewood, D (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM djlittl@sandia.gov
NR 19
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5752-6
PY 2016
AR V009T12A014
PG 10
WC Engineering, Mechanical
SC Engineering
GA BF0XE
UT WOS:000379791500014
ER
PT S
AU Laskin, A
Gilles, MK
Knopf, DA
Wang, BB
China, S
AF Laskin, Alexander
Gilles, Mary K.
Knopf, Daniel A.
Wang, Bingbing
China, Swarup
BE Bohn, PW
Pemberton, JE
TI Progress in the Analysis of Complex Atmospheric Particles
SO ANNUAL REVIEW OF ANALYTICAL CHEMISTRY, VOL 9
SE Annual Review of Analytical Chemistry
LA English
DT Article; Book Chapter
DE aerosol; atmospheric aging; chemical imaging; environmental interfaces;
molecular-level; multiphase chemistry
ID SEA-SPRAY AEROSOL; SECONDARY ORGANIC AEROSOL;
IONIZATION-MASS-SPECTROMETRY; HETEROGENEOUS ICE NUCLEATION; CLOUD
CONDENSATION NUCLEI; LIQUID PHASE-SEPARATION; ELECTRON-MICROSCOPY;
PARTICULATE MATTER; CHEMICAL-ANALYSIS; DUST PARTICLES
AB This article presents an overview of recent advances in field and laboratory studies of atmospheric particles formed in processes of environmental air-surface interactions. The overarching goal of these studies is to advance predictive understanding of atmospheric particle composition, particle chemistry during aging, and their environmental impacts. The diversity between chemical constituents and lateral heterogeneity within individual particles adds to the chemical complexity of particles and their surfaces. Once emitted, particles undergo transformation via atmospheric aging processes that further modify their complex composition. We highlight a range of modern analytical approaches that enable multimodal chemical characterization of particles with both molecular and lateral specificity. When combined, these approaches provide a comprehensive arsenal of tools for understanding the nature of particles at air-surface interactions and their reactivity and transformations with atmospheric aging. We discuss applications of these novel approaches in recent studies and highlight additional research areas to explore the environmental effects of air-surface interactions.
C1 [Laskin, Alexander; Wang, Bingbing; China, Swarup] Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA.
[Gilles, Mary K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Knopf, Daniel A.] SUNY Stony Brook, Inst Terr & Planetary Atmospheres, Sch Marine & Atmospher Sci, Stony Brook, NY 11794 USA.
RP Laskin, A (reprint author), Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA.
EM alexander.laskin@pnnl.gov
RI Laskin, Alexander/I-2574-2012
OI Laskin, Alexander/0000-0002-7836-8417
NR 159
TC 2
Z9 2
U1 18
U2 43
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 1936-1327
BN 978-0-8243-4409-2
J9 ANNU REV ANAL CHEM
JI Annu. Rev. Anal. Chem.
PY 2016
VL 9
BP 117
EP 143
DI 10.1146/annurev-anchem-071015-041521
PG 27
WC Chemistry, Analytical; Spectroscopy
SC Chemistry; Spectroscopy
GA BF0QS
UT WOS:000379328100006
PM 27306308
ER
PT S
AU Mackelprang, R
Saleska, SR
Jacobsen, CS
Jansson, JK
Tas, N
AF Mackelprang, Rachel
Saleska, Scott R.
Jacobsen, Carsten Suhr
Jansson, Janet K.
Tas, Neslihan
BE Jeanloz, R
Freeman, KH
TI Permafrost Meta-Omics and Climate Change
SO ANNUAL REVIEW OF EARTH AND PLANETARY SCIENCES, VOL 44
SE Annual Review of Earth and Planetary Sciences
LA English
DT Review; Book Chapter
DE Arctic; global warming; bioinformatics; metagenomics; next-generation
sequencing; microbiology
ID COMPARISON PROJECT WETCHIMP; INTERNATIONAL POLAR YEAR; GLOBAL WETLAND
EXTENT; ALASKAN BOREAL FOREST; HIGH ARCTIC SOILS; MICROBIAL COMMUNITIES;
THAWING PERMAFROST; METHANE PRODUCTION; CARBON-CYCLE; BIOGEOCHEMISTRY
MODEL
AB Permanently frozen soil, or permafrost, covers a large portion of the Earth's terrestrial surface and represents a unique environment for cold-adapted microorganisms. As permafrost thaws, previously protected organic matter becomes available for microbial degradation. Microbes that decompose soil carbon produce carbon dioxide and other greenhouse gases, contributing substantially to climate change. Next-generation sequencing and other -omics technologies offer opportunities to discover the mechanisms by which microbial communities regulate the loss of carbon and the emission of greenhouse gases from thawing permafrost regions. Analysis of nucleic acids and proteins taken directly from permafrost-associated soils has provided new insights into microbial communities and their functions in Arctic environments that are increasingly impacted by climate change. In this article we review current information from various molecular -omics studies on permafrost microbial ecology and explore the relevance of these insights to our current understanding of the dynamics of permafrost loss due to climate change.
C1 [Mackelprang, Rachel] Calif State Univ Northridge, Dept Biol, Northridge, CA 91330 USA.
[Saleska, Scott R.] Univ Arizona, Dept Ecol & Evolutionary Biol, Tucson, AZ 85721 USA.
[Jacobsen, Carsten Suhr] Aarhus Univ, Dept Environm Sci, DK-4000 Roskilde, Denmark.
[Jacobsen, Carsten Suhr] Univ Copenhagen, Ctr Permafrost CENPERM, DK-1350 Copenhagen, Denmark.
[Jansson, Janet K.] Pacific Northwest Natl Lab, Earth & Environm Sci Directorate, Richland, WA 99352 USA.
[Tas, Neslihan] Lawrence Berkeley Natl Lab, Climate & Ecosyst Sci, Ecol Dept, Berkeley, CA 94720 USA.
RP Mackelprang, R (reprint author), Calif State Univ Northridge, Dept Biol, Northridge, CA 91330 USA.
EM rachel.mackelprang@csun.edu
NR 140
TC 0
Z9 0
U1 34
U2 52
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0084-6597
BN 978-0-8243-2044-7
J9 ANNU REV EARTH PL SC
JI Annu. Rev. Earth Planet. Sci.
PY 2016
VL 44
BP 439
EP 462
DI 10.1146/annurev-earth-060614-105126
PG 24
WC Astronomy & Astrophysics; Geosciences, Multidisciplinary
SC Astronomy & Astrophysics; Geology
GA BF0QT
UT WOS:000379329700017
ER
PT S
AU Kristo, MJ
Gaffney, AM
Marks, N
Knight, K
Cassata, WS
Hutcheon, ID
AF Kristo, Michael J.
Gaffney, Amy M.
Marks, Naomi
Knight, Kim
Cassata, William S.
Hutcheon, Ian D.
BE Jeanloz, R
Freeman, KH
TI Nuclear Forensic Science: Analysis of Nuclear Material Out of Regulatory
Control
SO ANNUAL REVIEW OF EARTH AND PLANETARY SCIENCES, VOL 44
SE Annual Review of Earth and Planetary Sciences
LA English
DT Review; Book Chapter
DE nuclear forensics; nuclear trafficking; radiochronometry; uranium ore
concentrate
ID HIGHLY ENRICHED URANIUM; PLASMA-MASS SPECTROMETRY; INFRARED REFLECTANCE
SPECTROSCOPY; CONCENTRATES YELLOW CAKES; GAMMA-SPECTROMETRY;
AGE-DETERMINATION; ISOTOPIC COMPOSITION; ORIGIN ASSESSMENT; BASIC
CHARACTERIZATION; BEARING MATERIALS
AB Nuclear forensic science seeks to identify the origin of nuclear materials found outside regulatory control. It is increasingly recognized as an integral part of a robust nuclear security program. This review highlights areas of active, evolving research in nuclear forensics, with a focus on analytical techniques commonly employed in Earth and planetary sciences. Applications of nuclear forensics to uranium ore concentrates (UOCs) are discussed first. UOCs have become an attractive target for nuclear forensic researchers because of the richness in impurities compared to materials produced later in the fuel cycle. The development of chronometric methods for age dating nuclear materials is then discussed, with an emphasis on improvements in accuracy that have been gained from measurements of multiple radioisotopic systems. Finally, papers that report on casework are reviewed, to provide a window into current scientific practice.
C1 [Kristo, Michael J.; Gaffney, Amy M.; Marks, Naomi; Knight, Kim; Cassata, William S.; Hutcheon, Ian D.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
RP Kristo, MJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
EM kristo2@llnl.gov; gaffney1@llnl.gov; marks23@llnl.gov;
knight29@llnl.gov; cassata2@llnl.gov
NR 93
TC 1
Z9 1
U1 15
U2 26
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0084-6597
BN 978-0-8243-2044-7
J9 ANNU REV EARTH PL SC
JI Annu. Rev. Earth Planet. Sci.
PY 2016
VL 44
BP 555
EP 579
DI 10.1146/annurev-earth-060115-012309
PG 25
WC Astronomy & Astrophysics; Geosciences, Multidisciplinary
SC Astronomy & Astrophysics; Geology
GA BF0QT
UT WOS:000379329700021
ER
PT J
AU Garimella, S
Kristensen, TB
Ignatius, K
Welti, A
Voigtlander, J
Kulkarni, GR
Sagan, F
Kok, GL
Dorsey, J
Nichman, L
Rothenberg, DA
Rosch, M
Kirchgassner, ACR
Ladkin, R
Wex, H
Wilson, TW
Ladino, LA
Abbatt, JPD
Stetzer, O
Lohmann, U
Stratmann, F
Cziczo, DJ
AF Garimella, Sarvesh
Kristensen, Thomas Bjerring
Ignatius, Karolina
Welti, Andre
Voigtlaender, Jens
Kulkarni, Gourihar R.
Sagan, Frank
Kok, Gregory Lee
Dorsey, James
Nichman, Leonid
Rothenberg, Daniel Alexander
Rosch, Michael
Kirchgassner, Amelie Catharina Ruth
Ladkin, Russell
Wex, Heike
Wilson, Theodore W.
Ladino, Luis Antonio
Abbatt, Jon P. D.
Stetzer, Olaf
Lohmann, Ulrike
Stratmann, Frank
Cziczo, Daniel James
TI The SPectrometer for Ice Nuclei (SPIN): an instrument to investigate ice
nucleation
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID MINERAL DUST PARTICLES; FLOW DIFFUSION CHAMBER; CIRRUS CLOUD FORMATION;
DENSITY-FUNCTION; DEPOSITION MODE; AEROSOLS; COUNTER; DISCRIMINATION;
MECHANISMS; IMMERSION
AB The SPectrometer for Ice Nuclei (SPIN) is a commercially available ice nucleating particle (INP) counter manufactured by Droplet Measurement Technologies in Boulder, CO. The SPIN is a continuous flow diffusion chamber with parallel plate geometry based on the Zurich Ice Nucleation Chamber and the Portable Ice Nucleation Chamber. This study presents a standard description for using the SPIN instrument and also highlights methods to analyze measurements in more advanced ways. It characterizes and describes the behavior of the SPIN chamber, reports data from laboratory measurements, and quantifies uncertainties associated with the measurements. Experiments with ammonium sulfate are used to investigate homogeneous freezing of deliquesced haze droplets and droplet breakthrough. Experiments with kaolinite, NX illite, and silver iodide are used to investigate heterogeneous ice nucleation. SPIN nucleation results are compared to those from the literature. A machine learning approach for analyzing depolarization data from the SPIN optical particle counter is also presented (as an advanced use). Overall, we report that the SPIN is able to reproduce previous INP counter measurements.
C1 [Garimella, Sarvesh; Rothenberg, Daniel Alexander; Rosch, Michael; Cziczo, Daniel James] MIT, Dept Earth Atmospher & Planetary Sci, Cambridge, MA 02139 USA.
[Kristensen, Thomas Bjerring; Ignatius, Karolina; Welti, Andre; Voigtlaender, Jens; Wex, Heike; Stratmann, Frank] Leibniz Inst Tropospher Res, Leipzig, Germany.
[Kulkarni, Gourihar R.] Pacific Northwest Natl Lab, Richland, WA USA.
[Sagan, Frank; Kok, Gregory Lee] Droplet Measurement Technol, Boulder, CO USA.
[Dorsey, James; Nichman, Leonid] Univ Manchester, Sch Earth Atmospher & Environm Sci, Manchester, Lancs, England.
[Kirchgassner, Amelie Catharina Ruth; Ladkin, Russell] British Antarctic Survey, Cambridge, England.
[Wilson, Theodore W.] Univ Leeds, Sch Earth & Environm, Leeds, W Yorkshire, England.
[Ladino, Luis Antonio; Abbatt, Jon P. D.] Univ Toronto, Dept Chem, Toronto, ON, Canada.
[Stetzer, Olaf] V ZUG AG, Zurich, Switzerland.
[Lohmann, Ulrike] Swiss Fed Inst Technol, Dept Environm Syst Sci, Zurich, Switzerland.
RP Cziczo, DJ (reprint author), MIT, Dept Earth Atmospher & Planetary Sci, Cambridge, MA 02139 USA.
EM djcziczo@mit.edu
FU US Department of Energy, Office of Science, STTR program
[DE-SC-0004258]; NASA [NNX13AO15G]; MIT Martin Family Society for
Sustainability; German Federal Ministry of Education and Research (BMBF)
through the CLOUD-12 project [01LK1222B]; EC Seventh Framework Programme
(Marie Curie Initial Training Networks MC-ITN CLOUD-TRAIN) [316662];
Natural Environment Research Council [NE/K004417/1]
FX The development of the SPIN instrument was supported by the US
Department of Energy, Office of Science, STTR program, under award
number DE-SC-0004258. S. Garimella and D. J. Cziczo would like to
acknowledge NASA grant NNX13AO15G and the MIT Martin Family Society for
Sustainability for funding. T. B. Kristensen and F. Stratmann gratefully
acknowledge funding from the German Federal Ministry of Education and
Research (BMBF) through the CLOUD-12 project (01LK1222B). K. Ignatius
and L. Nichman gratefully acknowledge funding from the EC Seventh
Framework Programme (Marie Curie Initial Training Networks MC-ITN
CLOUD-TRAIN grant no. 316662). T. W. Wilson acknowledges funding from
the Natural Environment Research Council (NE/K004417/1). The authors
also thank Paul DeMott and other reviewers for the useful comments that
have significantly improved the manuscript.
NR 49
TC 0
Z9 0
U1 4
U2 5
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 2016
VL 9
IS 7
BP 2781
EP 2795
DI 10.5194/amt-9-2781-2016
PG 15
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA DQ7VY
UT WOS:000379417200002
ER
PT S
AU Fiorino, ST
Elmore, B
Schmidt, J
Matchefts, E
Burley, JL
AF Fiorino, Steven T.
Elmore, Brannon
Schmidt, Jaclyn
Matchefts, Elizabeth
Burley, Jarred L.
BE Thomas, LM
Spillar, EJ
TI A Fast Calculating Two-Stream-Like Multiple Scattering Algorithm that
Captures Azimuthal and Elevation Variations
SO ATMOSPHERIC PROPAGATION XIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Atmospheric Propagation XIII
CY APR 20-21, 2016
CL Baltimore, MD
SP SPIE
DE multiple scattering; radiative transfer; diffuse energy; radiance;
atmospheric effects; aerosols; clouds
AB Properly accounting for multiple scattering effects can have important implications for remote sensing and possibly directed energy applications. For example, increasing path radiance can affect signal noise. This study describes the implementation of a fast-calculating two-stream-like multiple scattering algorithm that captures azimuthal and elevation variations into the Laser Environmental Effects Definition and Reference (LEEDR) atmospheric characterization and radiative transfer code. The multiple scattering algorithm fully solves for molecular, aerosol, cloud, and precipitation single-scatter layer effects with a Mie algorithm at every calculation point/layer rather than an interpolated value from a pre-calculated look-up-table. This top-down cumulative diffusivity method first considers the incident solar radiance contribution to a given layer accounting for solid angle and elevation, and it then measures the contribution of diffused energy from previous layers based on the transmission of the current level to produce a cumulative radiance that is reflected from a surface and measured at the aperture at the observer. Then a unique set of asymmetry and backscattering phase function parameter calculations are made which account for the radiance loss due to the molecular and aerosol constituent reflectivity within a level and allows for a more accurate characterization of diffuse layers that contribute to multiple scattered radiances in inhomogeneous atmospheres. The code logic is valid for spectral bands between 200 nm and radio wavelengths, and the accuracy is demonstrated by comparing the results from LEEDR to observed sky radiance data.
C1 [Fiorino, Steven T.; Elmore, Brannon; Schmidt, Jaclyn; Matchefts, Elizabeth; Burley, Jarred L.] US Air Force, Inst Technol, Dept Engn Phys, 2950 Hobson Way, Wright Patterson AFB, OH 45433 USA.
[Elmore, Brannon; Matchefts, Elizabeth] Oak Ridge Inst Sci & Educ, 1299 Bethel Valley Rd, Oak Ridge, TN 37380 USA.
[Schmidt, Jaclyn] Appl Res Solut, 51 Plum St,Ste 240, Beavercreek, OH 45440 USA.
RP Fiorino, ST (reprint author), US Air Force, Inst Technol, Dept Engn Phys, 2950 Hobson Way, Wright Patterson AFB, OH 45433 USA.
EM steven.fiorino@afit.edu
NR 10
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 978-1-5106-0074-4
J9 PROC SPIE
PY 2016
VL 9833
AR 983305
DI 10.1117/12.2223780
PG 14
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BF0ST
UT WOS:000379405500004
ER
PT S
AU McCrae, JE
Basu, S
Fiorino, ST
AF McCrae, Jack E., Jr.
Basu, Santasri
Fiorino, Steven T.
BE Thomas, LM
Spillar, EJ
TI Estimation of Atmospheric Parameters from Time-Lapse Imagery
SO ATMOSPHERIC PROPAGATION XIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Atmospheric Propagation XIII
CY APR 20-21, 2016
CL Baltimore, MD
SP SPIE
DE atmospheric propagation; image correlation; time-lapse imaging; Fried
parameter; atmospheric coherence diameter; turbulence; imaging through
turbulence; turbulence profiling
ID GENERALIZED SCIDAR
AB A time-lapse imaging experiment was conducted to estimate various atmospheric parameters for the imaging path. Atmospheric turbulence caused frame-to-frame shifts of the entire image as well as parts of the image. The statistics of these shifts encode information about the turbulence strength (as characterized by C-n(2), the refractive index structure function constant) along the optical path. The shift variance observed is simply proportional to the variance of the tilt of the optical field averaged over the area being tracked. By presuming this turbulence follows the Kolmogorov spectrum, weighting functions can be derived which relate the turbulence strength along the path to the shifts measured. These weighting functions peak at the camera and fall to zero at the object. The larger the area observed, the more quickly the weighting function decays. One parameter we would like to estimate is r(0) (the Fried parameter, or atmospheric coherence diameter.) The weighting functions derived for pixel sized or larger parts of the image all fall faster than the weighting function appropriate for estimating the spherical wave r(0). If we presume C-n(2) is constant along the path, then an estimate for r(0) can be obtained for each area tracked, but since the weighting function for r(0) differs substantially from that for every realizable tracked area, it can be expected this approach would yield a poor estimator. Instead, the weighting functions for a number of different patch sizes can be combined through the Moore-Penrose pseudo-inverse to create a new weighting function which yields the least-squares optimal linear combination of measurements for estimation of r(0). This approach is carried out, and it is observed that this approach is somewhat noisy because the pseudo-inverse assigns weights much greater than one to many of the observations.
C1 [McCrae, Jack E., Jr.; Basu, Santasri; Fiorino, Steven T.] US Air Force, Inst Technol, Dept Engn Phys, 2950 Hobson Way, Wright Patterson AFB, OH 45433 USA.
[Basu, Santasri] Oak Ridge Inst Sci & Educ, 1299 Bethel Valley Rd, Oak Ridge, TN 37380 USA.
RP McCrae, JE (reprint author), US Air Force, Inst Technol, Dept Engn Phys, 2950 Hobson Way, Wright Patterson AFB, OH 45433 USA.
EM jack.mccrae@afit.edu
NR 12
TC 1
Z9 1
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 978-1-5106-0074-4
J9 PROC SPIE
PY 2016
VL 9833
AR 983303
DI 10.1117/12.2223986
PG 8
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BF0ST
UT WOS:000379405500002
ER
PT J
AU Fu, SF
Zhu, CZ
Shi, QR
Du, D
Lin, YH
AF Fu, Shaofang
Zhu, Chengzhou
Shi, Qiurong
Du, Dan
Lin, Yuehe
TI Enhanced electrocatalytic activities of three dimensional PtCu@Pt
bimetallic alloy nanofoams for oxygen reduction reaction
SO CATALYSIS SCIENCE & TECHNOLOGY
LA English
DT Article
ID CORE-SHELL NANOPARTICLES; REDUCED GRAPHENE OXIDE; CATALYSTS; PD;
NANOSTRUCTURES; SURFACES; NI; ELECTROOXIDATION; NANOCRYSTALS; ELECTRODES
AB Finding an approach to synthesize low cost catalysts with high activity and improved durability is the main challenge for the commercialization of proton exchange membrane fuel cells. The electrocatalytic performance of Pt-based catalysts could be improved significantly by accurately controlling the particle size, morphology and composition. In this work, PtCu bimetallic nanofoams, composed of fused nanoparticles with similar to 3 nm in diameter, were synthesized using a one-step reduction method. After dealloying with nitric acid, the PtCu@Pt core-shell bimetallic nanofoams were 7-fold more active in terms of mass activity, 14 times more active on the basis of specific activity, and more durable for ORR than the commercial Pt/C catalyst, which hold great promise in fuel cell applications.
C1 [Fu, Shaofang; Zhu, Chengzhou; Shi, Qiurong; Du, Dan; Lin, Yuehe] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.
[Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Zhu, CZ; Lin, YH (reprint author), Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.; Lin, YH (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM chengzhou.zhu@wsu.edu; yuehe.lin@wsu.edu
RI Zhu, Chengzhou/M-3566-2014; FU, SHAOFANG/D-2328-2016
OI FU, SHAOFANG/0000-0002-7871-6573
FU Washington State University, USA
FX This work was supported by a start-up fund of the Washington State
University, USA. We thank the Franceschi Microscopy & Image Center at
the Washington State University for the TEM measurements.
NR 47
TC 0
Z9 0
U1 9
U2 12
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 2016
VL 6
IS 13
BP 5052
EP 5059
DI 10.1039/c5cy02288f
PG 8
WC Chemistry, Physical
SC Chemistry
GA DP8FX
UT WOS:000378734700045
ER
PT J
AU Kennedy, ZC
Cardenas, AJP
Corbey, JF
Warner, MG
AF Kennedy, Zachary C.
Cardenas, Allan Jay P.
Corbey, Jordan F.
Warner, Marvin G.
TI 2,6-Diiminopiperidin-1-ol: an overlooked motif relevant to uranyl and
transition metal binding on poly(amidoxime) adsorbents
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID SEAWATER; URANIUM; AMIDOXIME; COMPLEXATION; EXTRACTION;
GLUTARIMIDEDIOXIME; SEQUESTRATION; RECOVERY; CU(II); IMINES
AB Glutardiamidoxime, a structural motif on sorbents used in uranium extraction from seawater, was discovered to cyclize in situ at room temperature to 2,6-diimino-piperidin-1-ol in the presence of uranyl nitrate. The new diimino motif was also generated when exposed to competing transition metals Cu(II) and Ni(II). Multinuclear mu-O bridged U(VI), Cu(II), and Ni(II) complexes featuring bound diimino ligands were isolated.
C1 [Kennedy, Zachary C.; Corbey, Jordan F.; Warner, Marvin G.] Pacific Northwest Natl Lab, Natl Secur Directorate, 902 Batelle Blvd, Richland, WA 99354 USA.
[Cardenas, Allan Jay P.] Pacific Northwest Natl Lab, Phys & Computat Sci Directorate, 902 Batelle Blvd, Richland, WA 99354 USA.
RP Warner, MG (reprint author), Pacific Northwest Natl Lab, Natl Secur Directorate, 902 Batelle Blvd, Richland, WA 99354 USA.
EM marvin.warner@pnnl.gov
FU Fuel Cycle Research and Development Campaign/Fuel Resources Program,
Office of Nuclear Energy within the U. S. Department of Energy
FX This work was conducted at Pacific Northwest National Laboratory
supported by the Fuel Cycle Research and Development Campaign/Fuel
Resources Program, Office of Nuclear Energy within the U. S. Department
of Energy.
NR 28
TC 1
Z9 1
U1 3
U2 10
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 2016
VL 52
IS 57
BP 8802
EP 8805
DI 10.1039/c6cc02488b
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA DQ8SQ
UT WOS:000379481800003
PM 27292161
ER
PT J
AU Ryan, JD
Gagnon, KJ
Teat, SJ
McIntosh, RD
AF Ryan, Jason D.
Gagnon, Kevin J.
Teat, Simon J.
McIntosh, Ruaraidh D.
TI Flexible macrocycles as versatile supports for catalytically active
metal clusters
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID OXO SURFACE; COMPLEXES; TITANIUM; POLYMERIZATION; CALIXARENES;
CATALYSIS; LIGANDS; LACTIDE; CAVITY
AB Here we present three structurally diverse clusters stabilised by the same macrocyclic polyphenol; t-butylcalix[8]arene. This work demonstrates the range of conformations the flexible ligand is capable of adopting, highlighting its versatility in metal coordination. In addition, a Ti complex displays activity for the ring-opening polymerisation of lactide.
C1 [Ryan, Jason D.; McIntosh, Ruaraidh D.] Heriot Watt Univ, Inst Chem Sci, Edinburgh EH14 4AS, Midlothian, Scotland.
[Gagnon, Kevin J.; Teat, Simon J.] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS 6R2100, Berkeley, CA 94720 USA.
RP McIntosh, RD (reprint author), Heriot Watt Univ, Inst Chem Sci, Edinburgh EH14 4AS, Midlothian, Scotland.
EM R.McIntosh@hw.ac.uk
RI McIntosh, Ruaraidh/F-9750-2011
OI McIntosh, Ruaraidh/0000-0002-7563-5655
FU Heriot-Watt University; U.S. Department of Energy [DE-AC02-05CH11231]
FX We are grateful to acknowledge financial support from Heriot-Watt
University and assistance from the EPSRC UK National Mass Spectrometry
Facility at Swansea University. 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 28
TC 1
Z9 1
U1 1
U2 2
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
EI 1364-548X
J9 CHEM COMMUN
JI Chem. Commun.
PY 2016
VL 52
IS 58
BP 9071
EP 9073
DI 10.1039/c6cc00478d
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA DQ8AJ
UT WOS:000379431000022
PM 26892948
ER
PT J
AU Egbert, JD
O'Hagan, M
Wiedner, ES
Bullock, RM
Piro, NA
Kassel, WS
Mock, MT
AF Egbert, Jonathan D.
O'Hagan, Molly
Wiedner, Eric S.
Bullock, R. Morris
Piro, Nicholas A.
Kassel, W. Scott
Mock, Michael T.
TI Putting chromium on the map for N-2 reduction: production of hydrazine
and ammonia. A study of cis-M(N-2)(2) (M = Cr, Mo, W) bis(diphosphine)
complexes
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID PENDANT AMINES; PHOSPHORUS MACROCYCLE; MOLECULAR-STRUCTURES;
CATALYTIC-REDUCTION; DINITROGEN COMPLEX; MOLYBDENUM; TUNGSTEN;
REACTIVITY; PROTONATION; CRYSTAL
AB The first complete structurally and spectroscopically characterized series of isostructural Group 6 N-2 complexes is reported. Protonolysis experiments on cis-[M(N-2)(2)((PNPEt)-N-Et-P-R)(2)] (M = Cr, Mo, W; R = 2,6-difluorobenzyl) reveal that only Cr affords N2H5+ and NH4+ from the reduction of the N-2 ligands.
C1 [Egbert, Jonathan D.; O'Hagan, Molly; Wiedner, Eric S.; Bullock, R. Morris; Mock, Michael T.] Pacific Northwest Natl Lab, Ctr Mol Electrocatalysis, POB 999,K2-57, Richland, WA 99352 USA.
[Piro, Nicholas A.; Kassel, W. Scott] Villanova Univ, Dept Chem, Villanova, PA 19085 USA.
RP Mock, MT (reprint author), Pacific Northwest Natl Lab, Ctr Mol Electrocatalysis, POB 999,K2-57, Richland, WA 99352 USA.
EM michael.mock@pnnl.gov
RI Bullock, R. Morris/L-6802-2016;
OI Bullock, R. Morris/0000-0001-6306-4851; Wiedner,
Eric/0000-0002-7202-9676
FU Center for Molecular Electrocatalysis, an Energy Frontier Research
Center - U.S. Department of Energy (U. S. DOE), Office of Science,
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 (U. S. DOE), Office of Science, Office of Basic
Energy Sciences. Pacific Northwest National Laboratory is operated by
Battelle for the U. S. DOE.
NR 34
TC 2
Z9 2
U1 5
U2 5
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 2016
VL 52
IS 60
BP 9343
EP 9346
DI 10.1039/c6cc03449g
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA DR4OY
UT WOS:000379882200003
PM 27331373
ER
PT S
AU Feinstein, DL
Akpa, BS
Ayee, MA
Boullerne, AI
Braun, D
Brodsky, SV
Gidalevitz, D
Hauck, Z
Kalinin, S
Kowal, K
Kuzmenko, I
Lis, K
Marangoni, N
Martynowycz, MW
Rubinstein, I
van Breemen, R
Ware, K
Weinberg, G
AF Feinstein, Douglas L.
Akpa, Belinda S.
Ayee, Manuela A.
Boullerne, Anne I.
Braun, David
Brodsky, Sergey V.
Gidalevitz, David
Hauck, Zane
Kalinin, Sergey
Kowal, Kathy
Kuzmenko, Ivan
Lis, Kinga
Marangoni, Natalia
Martynowycz, Michael W.
Rubinstein, Israel
van Breemen, Richard
Ware, Kyle
Weinberg, Guy
BE Laskin, JD
TI The emerging threat of superwarfarins: history, detection, mechanisms,
and countermeasures
SO COUNTERMEASURES AGAINST CHEMICAL THREATS
SE Annals of the New York Academy of Sciences
LA English
DT Article; Book Chapter
DE superwarfarins; brodifacoum; HPLC; lipid membrane; neuropathology;
nephrotoxicity; intralipid
ID WARFARIN-RELATED NEPHROPATHY; VITAMIN-K CYCLE; ANTICOAGULANT
RODENTICIDES; NERVOUS-SYSTEM; LIQUID-CHROMATOGRAPHY; MEMBRANE
PERMEATION; TYROSINE KINASES; LIPID EMULSION; RESISTANT RATS;
LIVER-TISSUE
AB Superwarfarins were developed following the emergence of warfarin resistance in rodents. Compared to warfarin, superwarfarins have much longer half-lives and stronger affinity to vitamin K epoxide reductase and therefore can cause death in warfarin-resistant rodents. By the mid-1970s, the superwarfarins brodifacoum and difenacoum were the most widely used rodenticides throughout the world. Unfortunately, increased use was accompanied by a rise in accidental poisonings, reaching >16,000 per year in the United States. Risk of exposure has become a concern since large quantities, up to hundreds of kilograms of rodent bait, are applied by aerial dispersion over regions with rodent infestations. Reports of intentional use of superwarfarins in civilian and military scenarios raise the specter of larger incidents or mass casualties. Unlike warfarin overdose, for which 1-2 days of treatment with vitamin K is effective, treatment of superwarfarin poisoning with vitamin K is limited by extremely high cost and can require daily treatment for a year or longer. Furthermore, superwarfarins have actions that are independent of their anticoagulant effects, including both vitamin K-dependent and -independent effects, which are not mitigated by vitamin K therapy. In this review, we summarize superwarfarin development, biology and pathophysiology, their threat as weapons, and possible therapeutic approaches.
C1 [Feinstein, Douglas L.; Boullerne, Anne I.; Braun, David; Kalinin, Sergey; Kowal, Kathy; Lis, Kinga; Marangoni, Natalia; Rubinstein, Israel; van Breemen, Richard; Weinberg, Guy] Univ Illinois, Dept Anesthesiol, 835 South Wolcott St,MC513,Room E720, Chicago, IL 60612 USA.
[Feinstein, Douglas L.; Boullerne, Anne I.; Weinberg, Guy] Jesse Brown VA Med Ctr, Chicago, IL USA.
[Akpa, Belinda S.] N Carolina State Univ, Dept Mol Biomed Sci, Raleigh, NC 27695 USA.
[Ayee, Manuela A.; Rubinstein, Israel] Univ Illinois, Dept Med, 835 South Wolcott St,Room E720, Chicago, IL 60612 USA.
[Brodsky, Sergey V.; Ware, Kyle] Ohio State Univ, Dept Pathol, Columbus, OH 43210 USA.
[Gidalevitz, David; Martynowycz, Michael W.] IIT, Dept Phys, Chicago, IL 60616 USA.
[Gidalevitz, David; Martynowycz, Michael W.] IIT, Ctr Mol Study Condensed Soft Matter, Chicago, IL 60616 USA.
[Hauck, Zane] Univ Illinois, Dept Med Chem & Pharmacognosy, 835 South Wolcott St,Room E720, Chicago, IL 60612 USA.
[Kuzmenko, Ivan; Martynowycz, Michael W.] Argonne Natl Lab, Xray Sci Div, Lemont, IL USA.
RP Feinstein, DL (reprint author), Univ Illinois, Dept Anesthesiol, 835 South Wolcott St,MC513,Room E720, Chicago, IL 60612 USA.
EM dlfeins@uic.edu
RI Akpa, Belinda/K-7060-2012;
OI Ayee, Manuela/0000-0001-8459-7745
FU NINDS NIH HHS [U01 NS083457]
NR 86
TC 0
Z9 0
U1 4
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 2016
VL 1374
BP 111
EP 122
DI 10.1111/nyas.13085
PG 12
WC Toxicology
SC Toxicology
GA BF0TS
UT WOS:000379428500013
PM 27244102
ER
PT J
AU Ivanov, AS
Bryantsev, VS
AF Ivanov, Alexander S.
Bryantsev, Vyacheslav S.
TI Assessing ligand selectivity for uranium over vanadium ions to aid in
the discovery of superior adsorbents for extraction of UO22+ from
seawater
SO DALTON TRANSACTIONS
LA English
DT Article
ID DENSITY-FUNCTIONAL THEORY; POLYMERIC ADSORBENT; AQUEOUS-SOLUTION;
SEA-WATER; AMIDOXIME; URANYL; RECOVERY; COMPLEXATION; ADSORPTION;
STABILITY
AB Uranium is used as the basic fuel for nuclear power plants, which generate significant amounts of electricity and have life cycle carbon emissions that are as low as renewable energy sources. However, the extraction of this valuable energy commodity from the ground remains controversial, mainly because of environmental and health impacts. Alternatively, seawater offers an enormous uranium resource that may be tapped at minimal environmental cost. Nowadays, amidoxime polymers are the most widely utilized sorbent materials for large-scale extraction of uranium from seawater, but they are not perfectly selective for uranyl, UO22+. In particular, the competition between UO22+ and VO2+/VO2+ cations poses a significant challenge to the efficient mining of UO22+. Thus, screening and rational design of more selective ligands must be accomplished. One of the key components in achieving this goal is the establishment of computational techniques capable of assessing ligand selectivity trends. Here, we report an approach based on quantum chemical calculations that achieves high accuracy in reproducing experimental aqueous stability constants for VO2+/VO2+ complexes with ten different oxygen donor ligands. The predictive power of the developed computational protocol is demonstrated for amidoxime-type ligands, providing greater insights into new design strategies for the development of the next generation of adsorbents with high selectivity toward UO22+ over VO2+/VO2+ ions. Importantly, the results of calculations suggest that alkylation of amidoxime moieties present in poly(acrylamidoxime) sorbents can be a potential route to better discrimination between the uranyl and competing vanadium ions in seawater.
C1 [Ivanov, Alexander S.; Bryantsev, Vyacheslav S.] Oak Ridge Natl Lab, Div Chem Sci, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
RP Bryantsev, VS (reprint author), Oak Ridge Natl Lab, Div Chem Sci, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM bryantsevv@ornl.gov
RI Ivanov, Alexander/K-4769-2014; Bryantsev, Vyacheslav/M-5111-2016
OI Ivanov, Alexander/0000-0002-8193-6673; Bryantsev,
Vyacheslav/0000-0002-6501-6594
FU U.S. Department of Energy, Office of Nuclear Energy [DE-AC05-00OR22725];
Oak Ridge National Laboratory; U.S. Department of Energy
[DE-AC05-00OR22725]
FX This research was sponsored by the U.S. Department of Energy, Office of
Nuclear Energy under Contract DE-AC05-00OR22725 with Oak Ridge National
Laboratory, managed by UT-Battelle, LLC. This manuscript has been
authored by UT-Battelle, LLC under Contract DE-AC05-00OR22725 with the
U.S. Department of Energy.
NR 52
TC 1
Z9 1
U1 6
U2 13
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 2016
VL 45
IS 26
BP 10744
EP 10751
DI 10.1039/c6dt01752e
PG 8
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DQ6YM
UT WOS:000379352900029
PM 27285397
ER
PT J
AU Dombrowski, JP
Johnson, GR
Bell, AT
Tilley, TD
AF Dombrowski, James P.
Johnson, Gregory R.
Bell, Alexis T.
Tilley, T. Don
TI Ga[OSi((OBu)-Bu-t)(3)](3)center dot THF, a thermolytic molecular
precursor for high surface area gallium-containing silica materials of
controlled dispersion and stoichiometry
SO DALTON TRANSACTIONS
LA English
DT Article
ID HETEROGENEOUS CATALYSTS; TRIS(TERT-BUTOXY)SILOXY COMPLEXES;
ALUMINOSILICATE MATERIALS; BENZYL-CHLORIDE; SINGLE-SITE; SOL-GEL; OXIDE;
ALUMINUM; MCM-41; ACID
AB The molecular precursor tris[(tri-tert-butoxy)siloxy]gallium, as the tetrahydrofuran adduct Ga[OSi(OtBu)(3)](3)center dot THF (1), was synthesized via the salt metathesis reaction of gallium trichloride with NaOSi((OBu)-Bu-t)(3). This complex serves as a model for isolated gallium in a silica framework. Complex 1 decomposes thermally in hydrocarbon solvent, eliminating isobutylene, water, and tert-butanol to generate high surface area gallium-containing silica at low temperatures. When thermal decomposition was performed in the presence of P-123 Pluronic as a templating agent the generated material displayed uniform vermicular pores. Textural mesoporosity was evident in untemplated material. Co-thermolysis of 1 with HOSi ((OBu)-Bu-t)(3) in the presence of P-123 Pluronic led to materials with Ga : Si ratios ranging from 1 : 3 to 1 : 50, denoted UCB1-GaSi3, UCB1-GaSi10, UCB1-GaSi20 and UCB1-GaSi50. After calcination at 500 degrees C these materials exhibited decreasing surface areas and broadening pore distributions with increasing silicon content, indicating a loss of template effects. The position and dispersion of the gallium in UCB1-GaSi materials was investigated using Ga-71 MAS-NMR, powder XRD, and STEM/EDS elemental mapping. The results indicate a high degree of gallium dispersion in all samples, with gallium oxide clusters or oligomers present at higher gallium content.
C1 [Dombrowski, James P.; Tilley, T. Don] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Johnson, Gregory R.; Bell, Alexis T.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Dombrowski, James P.; Bell, Alexis T.; Tilley, T. Don] Lawrence Berkeley Lab, Chem Sci Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
RP Tilley, TD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Bell, AT (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.; Bell, AT; Tilley, TD (reprint author), Lawrence Berkeley Lab, Chem Sci Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM tdtilley@berkeley.edu
FU Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy [DE-AC02-05CH11231]; National Institutes of Health
[S10-RR027172]; UC Berkeley College of Chemistry NMR facility
[SRR023679A, 1S10RR016634-01]
FX Work at the Molecular Foundry was supported by the Office of Science,
Office of Basic Energy Sciences, of the U.S. Department of Energy under
Contract No. DE-AC02-05CH11231. We gratefully acknowledge the support of
the Director, Office of Energy Research, Office of Basic Energy
Sciences, Chemical Sciences Division, of the U.S. Department of Energy
(DOE) under Contract DE-AC02-05CH11231. We acknowledge the National
Institutes of Health for funding the UC Berkeley CheXray X-ray
crystallographic facility under Grant No. S10-RR027172 and the UC
Berkeley College of Chemistry NMR facility under Grant No. SRR023679A
and 1S10RR016634-01. We acknowledge Neelay Phadke, Dr. Truman C. Wambach
and Andy L. Nguyen for helpful discussions. The authors would also like
to acknowledge Micah Ziegler for assistance with crystal structure
analysis.
NR 47
TC 2
Z9 2
U1 6
U2 7
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
EI 1477-9234
J9 DALTON T
JI Dalton Trans.
PY 2016
VL 45
IS 27
BP 11025
EP 11034
DI 10.1039/c6dt01676f
PG 10
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DR0JM
UT WOS:000379593800020
PM 27312519
ER
PT J
AU Paschinger, W
Rogl, G
Grytsiv, A
Michor, H
Heinrich, PR
Muller, H
Puchegger, S
Klobes, B
Hermann, RP
Reinecker, M
Eisenmenger-Sitter, C
Broz, P
Bauer, E
Giester, G
Zehetbauer, M
Rogl, PF
AF Paschinger, W.
Rogl, G.
Grytsiv, A.
Michor, H.
Heinrich, P. R.
Mueller, H.
Puchegger, S.
Klobes, B.
Hermann, R. P.
Reinecker, M.
Eisenmenger-Sitter, Ch.
Broz, P.
Bauer, E.
Giester, G.
Zehetbauer, M.
Rogl, P. F.
TI Ba-filled Ni-Sb-Sn based skutterudites with anomalously high lattice
thermal conductivity
SO DALTON TRANSACTIONS
LA English
DT Article
ID SEVERE PLASTIC-DEFORMATION; HIGH-PRESSURE TORSION; HALF-HEUSLER ALLOYS;
THERMOELECTRIC PROPERTIES; MECHANICAL-PROPERTIES; PHYSICAL-PROPERTIES;
ELECTRICAL-RESISTIVITY; ELECTRONIC-STRUCTURE; PHASE-EQUILIBRIA; STAGE-IV
AB Novel filled skutterudites BayNi4Sb12-xSnx (y(max) = 0.93) have been prepared by arc melting followed by annealing at 250, 350 and 450 degrees C up to 30 days in vacuum-sealed quartz vials. Extension of the homogeneity region, solidus temperatures and structural investigations were performed for the skutterudite phase in the ternary Ni-Sn-Sb and in the quaternary Ba-Ni-Sb-Sn systems. Phase equilibria in the Ni-Sn-Sb system at 450 degrees C were established by means of Electron Probe Microanalysis (EPMA) and X-ray Powder Diffraction (XPD). With rather small cages Ni-4(Sb,Sn)(12), the Ba-Ni-Sn-Sb skutterudite system is perfectly suited to study the influence of filler atoms on the phonon thermal conductivity. Single-phase samples with the composition Ni4Sb8.2Sn3.8, Ba0.42Ni4Sb8.2Sn3.8 and Ba0.92Ni4Sb6.7Sn5.3 were used to measure their physical properties, i.e. temperature dependent electrical resistivity, Seebeck coefficient and thermal conductivity. The resistivity data demonstrate a crossover from metallic to semiconducting behaviour. The corresponding gap width was extracted from the maxima in the Seebeck coefficient data as a function of temperature. Single crystal X-ray structure analyses at 100, 200 and 300 K revealed the thermal expansion coefficients as well as Einstein and Debye temperatures for Ba0.73Ni4Sb8.1Sn3.9 and Ba0.95Ni4Sb6.1Sn5.9. These data were in accordance with the Debye temperatures obtained from the specific heat (4.4 K < T < 140 K) and Mossbauer spectroscopy (10 K < T < 290 K). Rather small atom displacement parameters for the Ba filler atoms indicate a severe reduction in the "rattling behaviour" consistent with the high levels of lattice thermal conductivity. The elastic moduli, collected from Resonant Ultrasonic Spectroscopy ranged from 100 GPa for Ni4Sb8.2Sn3.8 to 116 GPa for Ba0.92Ni4Sb6.7Sn5.3. The thermal expansion coefficients were 11.8 x 10(-6) K-1 for Ni4Sb8.2Sn3.8 and 13.8 x 10(-6) K-1 for Ba0.92Ni4Sb6.7Sn5.3. The room temperature Vickers hardness values vary within the range from 2.6 GPa to 4.7 GPa. Severe plastic deformation via high-pressure torsion was used to introduce nanostructuring; however, the physical properties before and after HPT showed no significant effect on the materials thermoelectric behaviour.
C1 [Paschinger, W.; Rogl, G.; Grytsiv, A.; Rogl, P. F.] Univ Vienna, Inst Mat Chem & Res, Wahringer Str 42, A-1090 Vienna, Austria.
[Rogl, G.; Grytsiv, A.; Bauer, E.; Rogl, P. F.] Christian Doppler Lab Thermoelect, Vienna, Austria.
[Rogl, G.; Grytsiv, A.; Michor, H.; Heinrich, P. R.; Mueller, H.; Eisenmenger-Sitter, Ch.; Bauer, E.] TU Wien, Inst Solid State Phys, Wiedner Hauptstr 8, A-1040 Vienna, Austria.
[Paschinger, W.; Puchegger, S.; Reinecker, M.; Zehetbauer, M.] Univ Vienna, Fac Phys, Boltzmanngasse 5, A-1090 Vienna, Austria.
[Klobes, B.; Hermann, R. P.] Forschungszentrum Julich, JCNS, D-52425 Julich, Germany.
[Klobes, B.; Hermann, R. P.] Forschungszentrum Julich, PGI, JARA FIT, D-52425 Julich, Germany.
[Hermann, R. P.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Broz, P.] Masaryk Univ, Dept Chem, Fac Sci, Kotlarska 267-2, Brno 61137, Czech Republic.
[Giester, G.] Univ Vienna, Inst Mineral & Crystallog, Althanstr 14 UZA 2, A-1090 Vienna, Austria.
[Klobes, B.] Gesell Anlagen Reakt Sicherheit GRS gGmbH, Schwertnergasse 1, D-50667 Cologne, Germany.
RP Paschinger, W (reprint author), Univ Vienna, Inst Mat Chem & Res, Wahringer Str 42, A-1090 Vienna, Austria.
EM werner.paschinger@univie.ac.at
RI Hermann, Raphael/F-6257-2013;
OI Hermann, Raphael/0000-0002-6138-5624; Andriy,
Grytsiv/0000-0002-1806-9992; Michor, Herwig/0000-0003-1642-5946
FU Austrian FWF [P224380-N20]; German Research Society (DFG) [SPP 1386];
U.S. Department of Energy, Office of Science, Basic Energy Sciences,
Materials Sciences and Engineering Division
FX This study was funded by the Austrian FWF as part of the project no.
P224380-N20. Financial support by the German Research Society (DFG)
within the framework of priority program SPP 1386 is acknowledged (BK).
RPH acknowledges support from the U.S. Department of Energy, Office of
Science, Basic Energy Sciences, Materials Sciences and Engineering
Division.
NR 92
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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 2016
VL 45
IS 27
BP 11071
EP 11100
DI 10.1039/c6dt01298a
PG 30
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DR0JM
UT WOS:000379593800025
PM 27328131
ER
PT J
AU Chouyyok, W
Pittman, JW
Warner, MG
Nell, KM
Clubb, DC
Gill, GA
Addleman, RS
AF Chouyyok, Wilaiwan
Pittman, Jonathan W.
Warner, Marvin G.
Nell, Kara M.
Clubb, Donald C.
Gill, Gary A.
Addleman, R. Shane
TI Surface functionalized nanostructured ceramic sorbents for the effective
collection and recovery of uranium from seawater
SO DALTON TRANSACTIONS
LA English
DT Article
ID SELF-ASSEMBLED MONOLAYERS; MESOPOROUS SUPPORTS; POLYMERIC ADSORBENT;
ACTINIDE SEQUESTRATION; ENVIRONMENTAL-SAMPLES; NANOPOROUS SORBENTS;
EXTRACTION; PRECONCENTRATION; ADSORPTION; CARBONATE
AB The ability to collect uranium from seawater offers the potential for a nearly limitless fuel supply for nuclear energy. We evaluated the use of functionalized nanostructured sorbents for the collection and recovery of uranium from seawater. Extraction of trace minerals from seawater and brines is challenging due to the high ionic strength of seawater, low mineral concentrations, and fouling of surfaces over time. We demonstrate that rationally assembled sorbent materials that integrate high affinity surface chemistry and high surface area nanostructures into an application relevant micro/macro structure enables collection performance that far exceeds typical sorbent materials. High surface area nanostructured silica with surface chemistries composed of phosphonic acid, phosphonates, 3,4 hydroxypyridinone, and EDTA showed superior performance for uranium collection. A few phosphorous-based commercial resins, specifically Diphonix and Ln Resin, also performed well. We demonstrate an effective and environmentally benign method of stripping the uranium from the high affinity sorbents using inexpensive nontoxic carbonate solutions. The cyclic use of preferred sorbents and acidic reconditioning of materials was shown to improve performance. Composite thin films composed of the nanostructured sorbents and a porous polymer binder are shown to have excellent kinetics and good capacity while providing an effective processing configuration for trace mineral recovery from solutions. Initial work using the composite thin films shows significant improvements in processing capacity over the previously reported sorbent materials.
C1 [Chouyyok, Wilaiwan; Pittman, Jonathan W.; Warner, Marvin G.; Nell, Kara M.; Clubb, Donald C.; Addleman, R. Shane] Pacific Northwest Natl Lab, Richland, WA 99352 USA.
[Nell, Kara M.] Univ Oregon, Eugene, OR 97403 USA.
[Gill, Gary A.] Pacific Northwest Natl Lab, Marine Sci Lab, Sequim, WA 98383 USA.
RP Addleman, RS (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA.
EM raymond.addleman@pnnl.gov
FU Pacific Northwest National Laboratory (PNNL) Laboratory-Directed
Research & Development (LDRD) Program; U.S. Department of Energy
[DE-AC05-76RL01830]
FX The authors gratefully acknowledge the support of Pacific Northwest
National Laboratory (PNNL) Laboratory-Directed Research & Development
(LDRD) Program. The authors thank Dr Dan Palo, Dr George Bonheyo, Dr
Christopher Barrett for their support and input. PNNL is operated for
the U.S. DOE by Battelle Memorial Institute. The content is solely the
responsibility of the authors and does not necessarily represent the
official views of the DOE, PNNL or Battelle. Notice: This manuscript has
been authored by Battelle Memorial Institute under contract no.
DE-AC05-76RL01830 with the U.S. Department of Energy. The United States
Government retains and the publisher, by accepting the article for
publication, acknowledges that the United States Government retains a
non-exclusive, paid-up, irrevocable, worldwide license to publish or
reproduce the published form of the manuscript, or allow others to do
so, for United States Government purposes.
NR 66
TC 2
Z9 2
U1 2
U2 9
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 2016
VL 45
IS 28
BP 11312
EP 11325
DI 10.1039/c6dt01318j
PG 14
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DR0BO
UT WOS:000379573200013
PM 27184739
ER
PT J
AU Lukens, WW
Speldrich, M
Yang, P
Duignan, TJ
Autschbach, J
Kogerler, P
AF Lukens, W. W.
Speldrich, M.
Yang, P.
Duignan, T. J.
Autschbach, J.
Koegerler, P.
TI The roles of 4f-and 5f-orbitals in bonding: a magnetochemical, crystal
field, density functional theory, and multi-reference wavefunction study
SO DALTON TRANSACTIONS
LA English
DT Article
ID TRIS(ETA-5-CYCLOPENTADIENYL) ACTINIDE COMPLEXES; RAY-ABSORPTION
SPECTROSCOPY; SEGMENTED CONTRACTION SCHEME; PSEUDOPOTENTIAL BASIS-SETS;
F-ELEMENTS; ORGANOMETALLIC COMPLEXES; ELECTRONIC-STRUCTURES; PARAMETRIC
ANALYSIS; MAGNETIC-PROPERTIES; SPLITTING PATTERN
AB The electronic structures of 4f(3)/5f(3) Cp '' M-3 and Cp ''' M-3 center dot alkylisocyanide complexes, where Cp ''' is 1,3-bis-(trimethylsilyl) cyclopentadienyl, are explored with a focus on the splitting of the f-orbitals, which provides information about the strengths of the metal-ligand interactions. While the f-orbital splitting in many lanthanide complexes has been reported in detail, experimental determination of the f-orbital splitting in actinide complexes remains rare in systems other than halide and oxide compounds, since the experimental approach, crystal field analysis, is generally significantly more difficult for actinide complexes than for lanthanide complexes. In this study, a set of analogous neodymium(III) and uranium(III) tris-cyclopentadienyl complexes and their isocyanide adducts was characterized by electron paramagnetic resonance (EPR) spectroscopy and magnetic susceptibility. The crystal field model was parameterized by combined fitting of EPR and susceptibility data, yielding an accurate description of f-orbital splitting. The isocyanide derivatives were also studied using density functional theory, resulting in f-orbital splitting that is consistent with crystal field fitting, and by multi-reference wavefunction calculations that support the electronic structure analysis derived from the crystal-field calculations. The results highlight that the 5f-orbitals, but not the 4f-orbitals, are significantly involved in bonding to the isocyanide ligands. The main interaction between isocyanide ligand and the metal center is a s-bond, with additional 5f to pi* donation for the uranium complexes. While interaction with the isocyanide p*-orbitals lowers the energies of the 5f(xz2) and 5f(yz2)-orbitals, spin-orbit coupling greatly reduces the population of 5f(xz2) and 5f(yz2) in the ground state.
C1 [Lukens, W. W.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Speldrich, M.; Koegerler, P.] Rhein Westfal TH Aachen, Inst Inorgan Chem, Aachen, Germany.
[Yang, P.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA.
[Duignan, T. J.; Autschbach, J.] SUNY Buffalo, Dept Chem, Buffalo, NY USA.
[Koegerler, P.] Forschungszentrum Julich, JARA FIT, D-52425 Julich, Germany.
[Koegerler, P.] Forschungszentrum Julich, PGI 6, D-52425 Julich, Germany.
RP Lukens, WW (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.; Speldrich, M (reprint author), Rhein Westfal TH Aachen, Inst Inorgan Chem, Aachen, Germany.; Yang, P (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA.; Autschbach, J (reprint author), SUNY Buffalo, Dept Chem, Buffalo, NY USA.
EM wwlukens@lbl.gov; manfred.speldrich@ac.rwth-aachen.de; pyang@lanl.gov;
jochena@buffalo.edu
RI Speldrich, Manfred/P-3615-2016; Autschbach, Jochen/S-5472-2016;
Kogerler, Paul/H-5866-2013;
OI Speldrich, Manfred/0000-0002-8626-6410; Autschbach,
Jochen/0000-0001-9392-877X; Kogerler, Paul/0000-0001-7831-3953; Yang,
Ping/0000-0003-4726-2860
FU U.S. DOE BER; U.S. Department of Energy, Office of Science, Basic Energy
Sciences, Chemical Sciences, Biosciences, and Geosciences Division
(CSGB), Heavy Element Chemistry Program; Lawrence Berkeley National
Laboratory [DE-AC02-05CH11231]; Los Alamos National Laboratory
[DE-AC52-06NA25396]; ACalNet program (DAAD (German Academic Exchange
Service)); ERC StG [308051 - MOLSPINTRON]; U.S. Department of Energy,
Office of Basic Energy Sciences, Healey Element Chemistry program
[DE-SC0001136]
FX The authors thank Prof. Richard A. Andersen for guidance on synthesis
and for many discussions on the role of f-orbitals in bonding. We thank
Norman M. Edelstein and Nicola Magnani for helpful discussions on
crystal field modeling. The DFT calculations were performed using the
Molecular Science Computing (MSC) Facilities in the William R. Wiley
Environmental Molecular Sciences Laboratory (EMSL), a national
scientific user facility sponsored by the U.S. DOE BER and located at
Pacific Northwest National Laboratory. Portions of this work (Lukens and
Yang) were supported by the U.S. Department of Energy, Office of
Science, Basic Energy Sciences, Chemical Sciences, Biosciences, and
Geosciences Division (CSGB), Heavy Element Chemistry Program and were
performed at Lawrence Berkeley National Laboratory under contract No.
DE-AC02-05CH11231 and at Los Alamos National Laboratory under contract
No. DE-AC52-06NA25396 (operated by Los Alamos National Security, LLC,
for the National Nuclear Security Administration of the U.S. Department
of Energy). Portions of this work were supported by the ACalNet program
(DAAD (German Academic Exchange Service)) and by ERC StG 308051 -
MOLSPINTRON. The CAS calculations were carried out by TD and JA at the
University at Buffalo Center for Computational Research. JA and TD
acknowledge support from the U.S. Department of Energy, Office of Basic
Energy Sciences, Healey Element Chemistry program, under grant
DE-SC0001136 (formerly DE-FG02-09ER16066), and Dr Frederic Gendron for
assistance with the computations.
NR 80
TC 1
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U1 16
U2 25
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 2016
VL 45
IS 28
BP 11508
EP 11521
DI 10.1039/c6dt00634e
PG 14
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DR0BO
UT WOS:000379573200030
PM 27349178
ER
PT J
AU Kravitz, B
MacMartin, DG
Wang, HL
Rasch, PJ
AF Kravitz, Ben
MacMartin, Douglas G.
Wang, Hailong
Rasch, Philip J.
TI Geoengineering as a design problem
SO EARTH SYSTEM DYNAMICS
LA English
DT Article
ID INTERCOMPARISON PROJECT GEOMIP; CLIMATE-CHANGE; SEA-ICE; HYDROLOGICAL
CYCLE; MODEL; PERSPECTIVE; RESPONSES; IMPACTS; BALANCE; MONSOON
AB Understanding the climate impacts of solar geoengineering is essential for evaluating its benefits and risks. Most previous simulations have prescribed a particular strategy and evaluated its modeled effects. Here we turn this approach around by first choosing example climate objectives and then designing a strategy to meet those objectives in climate models.
There are four essential criteria for designing a strategy: (i) an explicit specification of the objectives, (ii) defining what climate forcing agents to modify so the objectives are met, (iii) a method for managing uncertainties, and (iv) independent verification of the strategy in an evaluation model.
We demonstrate this design perspective through two multi-objective examples. First, changes in Arctic temperature and the position of tropical precipitation due to CO2 increases are offset by adjusting high-latitude insolation in each hemisphere independently. Second, three different latitude-dependent patterns of insolation are modified to offset CO2-induced changes in global mean temperature, interhemispheric temperature asymmetry, and the Equator-to-pole temperature gradient. In both examples, the 'design' and 'evaluation' models are state-of-the-art fully coupled atmosphere-ocean general circulation models.
C1 [Kravitz, Ben; Wang, Hailong; Rasch, Philip J.] Pacific Northwest Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99354 USA.
[MacMartin, Douglas G.] CALTECH, Dept Comp & Math Sci, Pasadena, CA 91125 USA.
[MacMartin, Douglas G.] Cornell Univ, Sibley Sch Mech & Aerosp Engn, Ithaca, NY 14853 USA.
RP Kravitz, B (reprint author), Pacific Northwest Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99354 USA.
EM ben.kravitz@pnnl.gov
RI Wang, Hailong/B-8061-2010
OI Wang, Hailong/0000-0002-1994-4402
FU NASA High-End Computing (HEC) Program through the NASA Center for
Climate Simulation (NCCS) at Goddard Space Flight Center; US Department
of Energy by Battelle Memorial Institute [DE-AC05-76RL01830]
FX We thank the reviewers and the editor for thorough comments that greatly
improved the manuscript. The Pacific Northwest National Laboratory is
operated for the US Department of Energy by Battelle Memorial Institute
under contract DE-AC05-76RL01830. CESM simulations were performed using
PNNL institutional computing resources. GISS ModelE2 simulations were
supported by the NASA High-End Computing (HEC) Program through the NASA
Center for Climate Simulation (NCCS) at Goddard Space Flight Center.
NR 51
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U1 7
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PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 2190-4979
EI 2190-4987
J9 EARTH SYST DYNAM
JI Earth Syst. Dynam.
PY 2016
VL 7
IS 2
BP 469
EP 497
DI 10.5194/esd-7-469-2016
PG 29
WC Geosciences, Multidisciplinary
SC Geology
GA DQ7YR
UT WOS:000379425700011
ER
PT J
AU Yang, Y
Zhang, W
Yang, F
Brown, DE
Ren, Y
Lee, S
Zeng, DH
Gao, Q
Zhang, X
AF Yang, Ying
Zhang, Wen
Yang, Feng
Brown, Dennis E.
Ren, Yang
Lee, Sungsik
Zeng, Dehong
Gao, Qiang
Zhang, Xin
TI Versatile nickel-tungsten bimetallics/carbon nanofiber catalysts for
direct conversion of cellulose to ethylene glycol
SO GREEN CHEMISTRY
LA English
DT Article
ID METAL-ORGANIC FRAMEWORK; CARBON MATERIALS; CHEMICALS; EXAFS
AB We herein propose a novel synthetic methodology for a series of nickel-tungsten bimetallics/carbon nanofiber catalysts (Ni, 0.37-2.08 wt%; W, 0.01-0.06 wt%) in situ fabricated by pyrolysis (950 degrees C) of Ni, W and Zn-containing metal organic framework (Ni0.6-x-W-x-ZnBTC, x = 0-0.6) fibers. The resulting catalysts (Ni0.6-x-W-x/CNF) have uniform particles (ca. 68 nm), evenly dispersed onto the hierarchically porous carbon nanofibers formed simultaneously. All of the Ni0.6-x-W-x/CNF catalysts prove to be highly active towards direct conversion of cellulose to ethylene glycol (EG). A large productivity ranging from 15.3 to 70.8 mol(EG) h(-1) g(W)(-1) is shown, two orders of magnitude higher than those by using other W-based catalysts reported.
C1 [Yang, Ying; Zhang, Wen; Yang, Feng; Zeng, Dehong; Gao, Qiang; Zhang, Xin] China Univ Petr, State Key Lab Heavy Oil Proc, Beijing 102249, Peoples R China.
[Brown, Dennis E.] Northern Illinois Univ, Dept Phys, De Kalb, IL 60115 USA.
[Ren, Yang; Lee, Sungsik] Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Yang, Y (reprint author), China Univ Petr, State Key Lab Heavy Oil Proc, Beijing 102249, Peoples R China.
EM catalyticscience@163.com
FU National Natural Science Foundation of China [21303229, 21173269,
51571211]; Beijing Natural Science Foundation [2152025]; Science
Foundation of China University of Petroleum, Beijing [2462013YJRC018];
U.S. DOE [DE-AC02-06CH11357]
FX The authors gratefully acknowledge financial support from the National
Natural Science Foundation of China (21303229, 21173269, 51571211),
Beijing Natural Science Foundation (2152025), and the Science Foundation
of China University of Petroleum, Beijing (2462013YJRC018). 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, supported by the U.S. DOE under Contract no.
DE-AC02-06CH11357, is also acknowledged.
NR 27
TC 3
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U1 14
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 2016
VL 18
IS 14
BP 3949
EP 3955
DI 10.1039/c6gc00703a
PG 7
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA DQ8DB
UT WOS:000379438200006
ER
PT J
AU Liszka, MJ
Kang, A
Konda, NVSNM
Tran, K
Gladden, JM
Singh, S
Keasling, JD
Scown, CD
Lee, TS
Simmons, BA
Sale, KL
AF Liszka, Michael J.
Kang, Aram
Konda, N. V. S. N. Murthy
Tran, Kim
Gladden, John M.
Singh, Seema
Keasling, Jay D.
Scown, Corinne D.
Lee, Taek Soon
Simmons, Blake A.
Sale, Kenneth L.
TI Switchable ionic liquids based on di-carboxylic acids for one-pot
conversion of biomass to an advanced biofuel
SO GREEN CHEMISTRY
LA English
DT Article
ID CORN STOVER; ENZYMATIC SACCHARIFICATION; WATER MIXTURES; DILUTE-ACID;
RICE STRAW; PRETREATMENT; SWITCHGRASS; CHOLINIUM; RECOVERY; LIGNIN
AB Certain ionic liquids have recently been developed as effective solvents for biomass pretreatment, but their adoption has been limited due to availability, production costs, and inhibitory effects on conventional enzymes and microorganisms. We describe here a novel class of ionic liquids based on di-carboxylic acids that have high pretreatment efficiency and are compatible with both commercial enzyme mixtures and microbial fermentation host organisms. This system takes advantage of the two ionization states of di-carboxylic acids to switch from a basic solution that pretreats biomass effectively to an acidic solution with conditions favorable for cellulases and back again for the next round of pretreatment. Lab-scale reactions show 90% conversion of lignocellulosic biomass to fermentable sugars using commercial enzyme mixtures in a one-pot process. We then demonstrate E. coli fermentation of the resulting crude hydrolysate to produce isopentenol without removal of the ionic liquid or inhibitors prior to fermentation. This new process yields high biomass conversion and eliminates several technical and economic problems associated with current ionic liquid-based processes. Our preliminary techno-economic analysis (TEA) suggests biorefineries designed to use these switchable ILs can reduce the minimum selling price (MSP) of their biofuel by more than $1 gal(-1) relative to biorefineries utilizing traditional ILs (e.g., [C(2)C(1)Im]-[OAc]) that have been shown to be very effective at pretreatment but inhibit downstream saccharification and fermentation processes, requiring extensive washing of the pretreated biomass.
C1 [Liszka, Michael J.; Kang, Aram; Konda, N. V. S. N. Murthy; Tran, Kim; Gladden, John M.; Singh, Seema; Keasling, Jay D.; Scown, Corinne D.; Lee, Taek Soon; Simmons, Blake A.; Sale, Kenneth L.] Joint Bioenergy Inst, 5885 Hollis St, Emeryville, CA 94608 USA.
[Liszka, Michael J.; Tran, Kim; Gladden, John M.; Singh, Seema; Simmons, Blake A.; Sale, Kenneth L.] Sandia Natl Labs, Livermore, CA 94550 USA.
[Kang, Aram; Konda, N. V. S. N. Murthy; Keasling, Jay D.; Scown, Corinne D.; Lee, Taek Soon] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
RP Sale, KL (reprint author), Joint Bioenergy Inst, 5885 Hollis St, Emeryville, CA 94608 USA.; Sale, KL (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA.
EM klsale@sandia.gov
FU U. S. Department of Energy, Office of Science, Office of Biological and
Environmental Research [DE-AC02-05CH11231]
FX We thank Novozymes for their generous donation of Ctec2 and Htec2
enzymes. This work was part of the DOE Joint BioEnergy Institute
(http://www.jbei.org) supported by the U. S. Department of Energy,
Office of Science, Office of Biological and Environmental Research,
through contract DE-AC02-05CH11231 between Lawrence Berkeley National
Laboratory and the U. S. Department of Energy. The United States
Government retains and the publisher, by accepting the article for
publication, acknowledges that the United States Government retains a
non-exclusive, paid-up, irrevocable, world-wide license to publish or
reproduce the published form of this manuscript, or allow others to do
so, for United States Government purposes.
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U1 28
U2 32
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 2016
VL 18
IS 14
BP 4012
EP 4021
DI 10.1039/c6gc00657d
PG 10
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA DQ8DB
UT WOS:000379438200014
ER
PT J
AU Wang, A
Balsara, NP
Bell, AT
AF Wang, Alex
Balsara, Nitash P.
Bell, Alexis T.
TI Pervaporation-assisted catalytic conversion of xylose to furfural
SO GREEN CHEMISTRY
LA English
DT Article
ID BLOCK-COPOLYMER MEMBRANES; AQUEOUS-SOLUTION; BIOMASS; DEHYDRATION;
SEPARATION; RECOVERY; PLATFORM; FERMENTATION; TECHNOLOGIES; HYDROLYSATE
AB Furfural produced from the biomass-derived xylose may serve as a platform molecule for sustainable fuel production. The Bronsted acid-catalyzed dehydration of xylose to furfural is plagued by side reactions that form a set of soluble and insoluble degradation products, collectively known as humins, which reduce the yield of furfural. The formation of humins can be minimized by removal of furfural, either by steam stripping or by liquid-liquid extraction (LLE). However, both these techniques are very costly. The goal of this study was to demonstrate the feasibility of using pervaporation, a membrane process, to remove furfural as it is produced. A laboratory-scale reactor/membrane system was designed, built, and tested for this purpose and its performance for furfural production was compared with that achieved by carrying out the reaction with and without furfural extraction by LLE. Furfural production assisted by pervaporation (with a commercially available membrane or a triblock copolymer membrane) or LLE produced comparable amounts of furfural, and more than could be achieved by reaction without extraction. A model of the reaction kinetics and the rate of furfural extraction was fit to the pervaporation- and LLE-assisted furfural production data and was used to predict the performances of these processes at near-complete xylose conversion. Pervaporation is shown to have two advantages over LLE: pervaporation extracts a greater fraction of the furfural produced and the furfural concentration in the permeate phase is significantly higher than that present in the extractant phase obtained by LLE. It is noted that further improvement in the separation of furfural from the aqueous phase where it is produced can be achieved by using a more-permeable, thinner pervaporation membrane of larger area, and by operating the membrane at the reaction temperature.
C1 [Wang, Alex; Balsara, Nitash P.; Bell, Alexis T.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Wang, Alex; Balsara, Nitash P.; Bell, Alexis T.] Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94704 USA.
[Balsara, Nitash P.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Balsara, Nitash P.] Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
RP Balsara, NP (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.; Balsara, NP (reprint author), Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94704 USA.; Balsara, NP (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.; Balsara, NP (reprint author), Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
EM nbalsara@berkeley.edu; alexbell@berkeley.edu
OI Bell, Alexis/0000-0002-5738-4645
FU Energy Biosciences Institute, University of California at Berkeley
[OO3J04, OO7G03]
FX This work was supported by the Energy Biosciences Institute, University
of California at Berkeley (Grant numbers OO3J04 and OO7G03). The authors
thank Dr. Chunxia Costeux and Dow Chemical for donating the sample of
Amberlyst 70 ion-exchange resin and Ying Lin Louie for her assistance in
obtaining GC-MS data.
NR 43
TC 0
Z9 0
U1 4
U2 12
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 2016
VL 18
IS 14
BP 4073
EP 4085
DI 10.1039/c6gc00581k
PG 13
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA DQ8DB
UT WOS:000379438200020
ER
PT B
AU Hopkins, JB
Lee, H
Fang, NX
Spadaccini, CM
AF Hopkins, Jonathan B.
Lee, Howon
Fang, Nicholas X.
Spadaccini, Christopher M.
GP ASME
TI POLYTOPE SECTOR-BASED SYNTHESIS AND ANALYSIS OF MICROARCHITECTURED
MATERIALS WITH TUNABLE THERMAL CONDUCTIVITY AND EXPANSION
SO INTERNATIONAL DESIGN ENGINEERING TECHNICAL CONFERENCES AND COMPUTERS AND
INFORMATION IN ENGINEERING CONFERENCE, 2015, VOL 2B
LA English
DT Proceedings Paper
CT ASME International Design Engineering Technical Conferences and
Computers and Information in Engineering Conference
CY AUG 02-05, 2015
CL Boston, MA
SP ASME, Design Engn Div, ASME, Comp & Informat Engn Div
DE Microarchitectured materials; cellular materials; thermal expansion;
thermal conductivity; analytical optimization
ID TOPOLOGY OPTIMIZATION; HEAT-TRANSFER; DESIGN
AB The aim of this paper is to (1) introduce an approach, called Polytope Sector-based Synthesis, for synthesizing 2D or 3D microstructural architectures that exhibit a desired bulk property directionality (e.g., isotropic, cubic, orthotropic, etc.), and (2) provide general analytical methods that can be used to rapidly optimize the geometric parameters of these architectures such that they achieve a desired combination of bulk thermal conductivity and thermal expansion properties. Although the methods introduced can be applied to general beam-based microstructural architectures, we demonstrate their utility in the context of an architecture that can be tuned to achieve a large range of extreme thermal expansion coefficients positive, zero, and negative. The material property-combination region that can be achieved by this architecture is determined within an Ashby-material-property plot. of thermal expansion vs. thermal conductivity using the analytical methods introduced. Both 2D and 3D versions of the design have been fabricated using projection micro-stereolithography.
C1 [Hopkins, Jonathan B.] Univ Calif Los Angeles, Mech & Aerosp Engn, Los Angeles, CA 90095 USA.
[Lee, Howon] Rutgers State Univ, Mech & Aerosp Engn, Piscataway, NJ USA.
[Fang, Nicholas X.] MIT, Mech Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
[Spadaccini, Christopher M.] Lawrence Livermore Natl Lab, Mat Engn Div, Livermore, CA USA.
RP Hopkins, JB (reprint author), Univ Calif Los Angeles, Mech & Aerosp Engn, Los Angeles, CA 90095 USA.
EM hopkins@seas.ucla.edu; howon.lee@rutgers.edu; nicfang@mit.edu;
spadaccini2@llnl.gov
NR 29
TC 0
Z9 0
U1 1
U2 1
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5708-3
PY 2016
AR V02BT03A006
PG 13
WC Engineering, Industrial; Engineering, Mechanical; Operations Research &
Management Science
SC Engineering; Operations Research & Management Science
GA BF0YB
UT WOS:000379883800006
ER
PT B
AU Hopkins, JB
Shaw, LA
Weisgraber, TH
Farquar, GR
Harvey, CD
Spadaccini, CM
AF Hopkins, Jonathan B.
Shaw, Lucas A.
Weisgraber, Todd H.
Farquar, George R.
Harvey, Christopher D.
Spadaccini, Christopher M.
GP ASME
TI ORGANIZING CELLS WITHIN NON-PERIODIC MICROARCHITECTURED MATERIALS THAT
ACHIEVE GRADED THERMAL EXPANSIONS
SO INTERNATIONAL DESIGN ENGINEERING TECHNICAL CONFERENCES AND COMPUTERS AND
INFORMATION IN ENGINEERING CONFERENCE, 2015, VOL 2B
LA English
DT Proceedings Paper
CT ASME International Design Engineering Technical Conferences and
Computers and Information in Engineering Conference
CY AUG 02-05, 2015
CL Boston, MA
SP ASME, Design Engn Div, ASME, Comp & Informat Engn Div
DE Graded microarchitectured materials; graded cellular materials;
non-periodic unit cells; thermal expansion; Young's modulus; analytical
optimization
ID 2-DIMENSIONAL CELLULAR SOLIDS; TOPOLOGY OPTIMIZATION;
COMPOSITE-MATERIALS; DESIGN; MICROSTRUCTURE; COEFFICIENTS; STRESSES
AB The aim of this paper is to introduce an approach for optimally organizing a variety of different unit cell designs within a large lattice such that the bulk behavior of the lattice exhibits a desired Young's modulus with a graded change in thermal expansion over its geometry. This lattice, called a graded microarchitectured material, can be sandwiched between two other materials with different thermal expansion coefficients to accommodate their different expansions or contractions caused by changing temperature while achieving a desired uniform stiffness. First, this paper provides the theory necessary to calculate the thermal expansion and Young's modulus of large multi-material lattices that consist of periodic (i.e., repeating) unit cells of the same design. Then it introduces the theory for calculating the graded thermal expansions of a large multi material lattice that consists of non periodic unit cells of different designs. An approach is then provided for optimally designing and organizing different unit cells within a lattice such that both of its ends achieve the same thermal expansion as the two materials between which the lattice is sandwiched. A MATLAB tool is used to generate images of the undeformed and deformed lattices to verify their behavior and various examples are provided as case studies. The theory provided is also verified and validated using finite element analysis and experimentation.
C1 [Hopkins, Jonathan B.; Shaw, Lucas A.] Univ Calif Los Angeles, Mech & Aerosp Engn, Los Angeles, CA 90095 USA.
[Weisgraber, Todd H.; Farquar, George R.; Harvey, Christopher D.; Spadaccini, Christopher M.] Lawrence Livermore Natl Lab, Mat Engn Div, Livermore, CA USA.
RP Hopkins, JB (reprint author), Univ Calif Los Angeles, Mech & Aerosp Engn, Los Angeles, CA 90095 USA.
EM hopkins@seas.ucla.edu; lukeshaw@ucla.edu; weisgraber2@llnl.gov;
gfarquar@llnl.gov; harvey1@llnl.gov; spadaccini2@llnl.gov
NR 27
TC 0
Z9 0
U1 1
U2 1
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5708-3
PY 2016
AR V02BT03A005
PG 11
WC Engineering, Industrial; Engineering, Mechanical; Operations Research &
Management Science
SC Engineering; Operations Research & Management Science
GA BF0YB
UT WOS:000379883800005
ER
PT J
AU Goueguel, CL
Jain, JC
McIntyre, DL
Carson, CG
Edenborn, HM
AF Goueguel, Christian L.
Jain, Jinesh C.
McIntyre, Dustin L.
Carson, Cantwell G.
Edenborn, Harry M.
TI In situ measurements of calcium carbonate dissolution under rising CO2
pressure using underwater laser-induced breakdown spectroscopy
SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY
LA English
DT Article
ID AQUEOUS-SOLUTIONS; METAL-IONS; SEQUESTRATION; LIBS
AB In the present study, we applied underwater laser-induced breakdown spectroscopy (underwater LIBS) for rapid in situ measurements of calcium carbonate (CaCO3) dissolution as a function of CO2 pressure (pCO(2)). A pulsed Nd:YAG laser at 1064 nm was used to produce gaseous plasma in the fluid surrounding a pressed pellet of CaCO3 powder. The ensuing plasma emission was spectrally analyzed, and the intensity of the calcium emission line at 422.67 nm was used to monitor Ca2+ cation released to the water. Barium emission line at 455.40 nm was simultaneously recorded as an internal standard to calibrate calcium signal intensity. The study shows that relatively strong and well-resolved spectral lines of both Ca2+ and Ba2+ cations can be obtained in CO2-saturated water. More importantly, the results show that underwater LIBS is capable of performing quantitative analysis at elevated pCO(2), with an estimated Ca2+ detection limit of about 9 ppm over 50-350 bar. In the solution with the initially added CaCO3 pellet, the concentration of Ca2+ increases by a factor of 2 as pCO(2) increases from 50 to 150 bar and remains nearly constant when pCO(2) is further increased up to 350 bar. Finally, our study provides evidence that underwater LIBS could be a useful tool to investigate/monitor carbonate dissolution (at low ppm levels) in various geochemical applications.
C1 [Goueguel, Christian L.; Carson, Cantwell G.; Edenborn, Harry M.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[Jain, Jinesh C.] AECOM Technol Corp, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[McIntyre, Dustin L.] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA.
RP Goueguel, CL (reprint author), US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
EM christian.goueguel@netl.doe.gov
FU National Energy Technology Laboratory, U.S. Department of Energy
FX The authors thank Herve K. Sanghapi from the Institute for Clean Energy
Technology at Mississippi State University for his assistance in
collecting the data, and Jonathan W. Lekse from the National Energy
Technology Laboratory for assisting with preparation of calcium
carbonate pellets. This project was supported in part by an appointment
to the Research Participation Program at the National Energy Technology
Laboratory, U.S. Department of Energy, administered by the Oak Ridge
Institute for Science and Education.
NR 12
TC 0
Z9 0
U1 6
U2 7
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 2016
VL 31
IS 7
BP 1374
EP 1380
DI 10.1039/c6ja00086j
PG 7
WC Chemistry, Analytical; Spectroscopy
SC Chemistry; Spectroscopy
GA DQ8XF
UT WOS:000379494300002
ER
PT J
AU Tarolli, JG
Naes, BE
Garcia, BJ
Fischer, AE
Willingham, D
AF Tarolli, Jay G.
Naes, Benjamin E.
Garcia, Benjamin J.
Fischer, Ashley E.
Willingham, David
TI High resolution isotopic analysis of U-bearing particles via fusion of
SIMS and EDS images
SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY
LA English
DT Article
ID ION MASS-SPECTROMETRY; NUCLEAR SAFEGUARDS; TOF-SIMS; PROBE; SEM
AB Image fusion of secondary ion mass spectrometry (SIMS) images and X-ray elemental maps from energy-dispersive spectroscopy (EDS) was performed to facilitate the isolation and re-analysis of isotopically unique U-bearing particles where the highest precision SIMS measurements are required. Image registration, image fusion and particle micromanipulation were performed on a subset of SIMS images obtained from a large area pre-screen of a particle distribution from a sample containing a mixture of several certified reference materials (CRM) U129A, U015, U150, U500 and U850, as well as a standard reference material (SRM) 8704 (Buffalo River Sediment) to simulate particles collected on swipes during routine inspections of declared uranium enrichment facilities by the International Atomic Energy Agency (IAEA). In total, fourteen particles, ranging in size from 5-15 mm, were isolated and re-analyzed by SIMS in multi-collector mode identifying nine particles of CRM U129A, one of U150, one of U500 and three of U850. These identifications were made based on the measured isotopic composition which was accurate to a few percent of the certified value and which proved to be consistent with the respective National Institute of Standards and Technology (NIST) certified atom percent values for U-234, U-235, U-236 and U-238 for the (c)orresponding CRMs. This work represents the first use of image fusion for nuclear safeguards application, resulting in improved accuracy and precision of isotope ratio measurements for U-bearing particles. Implementation of image fusion is essential for the identification of particles of interest that fall below the spatial resolution of the SIMS images.
C1 [Tarolli, Jay G.; Naes, Benjamin E.; Garcia, Benjamin J.; Fischer, Ashley E.; Willingham, David] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Tarolli, JG (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM jay.tarolli@pnnl.gov
OI Willingham, David/0000-0002-7166-8994
NR 35
TC 0
Z9 0
U1 6
U2 7
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 2016
VL 31
IS 7
BP 1472
EP 1479
DI 10.1039/c6ja00149a
PG 8
WC Chemistry, Analytical; Spectroscopy
SC Chemistry; Spectroscopy
GA DQ8XF
UT WOS:000379494300013
ER
PT J
AU Li, MM
Liu, YT
Ni, W
Liu, F
Feng, HR
Zhang, YM
Liu, TT
Zhang, HT
Wan, XJ
Kan, B
Zhang, Q
Russell, TP
Chen, YS
AF Li, Miaomiao
Liu, Yongtao
Ni, Wang
Liu, Feng
Feng, Huanran
Zhang, Yamin
Liu, Tingting
Zhang, Hongtao
Wan, Xiangjian
Kan, Bin
Zhang, Qian
Russell, Thomas P.
Chen, Yongsheng
TI A simple small molecule as an acceptor for fullerene-free organic solar
cells with efficiency near 8%
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID OPEN-CIRCUIT VOLTAGE; ELECTRON-ACCEPTORS; 10-PERCENT EFFICIENCY;
PHOTOVOLTAICS; MORPHOLOGY; MOIETIES
AB A simple small molecule acceptor named DICTF, with fluorene as the central block and 2-(2,3-dihydro-3-oxo-1H-inden-1-ylidene) propanedinitrile as the end-capping groups, has been designed for fullerene-free organic solar cells. The new molecule was synthesized from widely available and inexpensive commercial materials in only three steps with a high overall yield of similar to 60%. Fullerene-free organic solar cells with DICTF as the acceptor material provide a high PCE of 7.93%.
C1 [Li, Miaomiao; Liu, Yongtao; Feng, Huanran; Zhang, Yamin; Liu, Tingting; Zhang, Hongtao; Wan, Xiangjian; Kan, Bin; Chen, Yongsheng] Nankai Univ, State Key Lab, Tianjin 300071, Peoples R China.
[Li, Miaomiao; Liu, Yongtao; Feng, Huanran; Zhang, Yamin; Liu, Tingting; Zhang, Hongtao; Wan, Xiangjian; Kan, Bin; Chen, Yongsheng] Nankai Univ, Inst Elementoorgan Chem, Collaborat Innovat Ctr Chem Sci & Engn Tianjin, Sch Mat Sci & Engn, Tianjin 300071, Peoples R China.
[Li, Miaomiao; Liu, Yongtao; Ni, Wang; Feng, Huanran; Zhang, Yamin; Zhang, Hongtao; Wan, Xiangjian; Zhang, Qian; Chen, Yongsheng] Nankai Univ, Key Lab Funct Polymer Mat, Tianjin 300071, Peoples R China.
[Li, Miaomiao; Liu, Yongtao; Ni, Wang; Feng, Huanran; Zhang, Yamin; Zhang, Hongtao; Wan, Xiangjian; Zhang, Qian; Chen, Yongsheng] Nankai Univ, Ctr Nanoscale Sci & Technol, Inst Polymer Chem, Coll Chem, Tianjin 300071, Peoples R China.
[Liu, Feng; Russell, Thomas P.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA.
RP Zhang, HT; Chen, YS (reprint author), Nankai Univ, State Key Lab, Tianjin 300071, Peoples R China.; Zhang, HT; Chen, YS (reprint author), Nankai Univ, Inst Elementoorgan Chem, Collaborat Innovat Ctr Chem Sci & Engn Tianjin, Sch Mat Sci & Engn, Tianjin 300071, Peoples R China.; Zhang, HT; Chen, YS (reprint author), Nankai Univ, Key Lab Funct Polymer Mat, Tianjin 300071, Peoples R China.; Zhang, HT; Chen, YS (reprint author), Nankai Univ, Ctr Nanoscale Sci & Technol, Inst Polymer Chem, Coll Chem, Tianjin 300071, Peoples R China.
EM htzhang@nankai.edu.cn; yschen99@nankai.edu.cn
RI Zhang, Hongtao/O-8232-2016; Liu, Feng/J-4361-2014
OI Liu, Feng/0000-0002-5572-8512
FU MoST [2014CB643502]; NSFC [51373078, 51422304, 91433101]; PCSIRT
[IRT1257]; Tianjin city [13RCGFGX01121]; Polymer-Based Materials for
Harvesting Solar Energy (PhaSE), an Energy Frontier Research Center -
U.S. Department of Energy, Office of Basic Energy Sciences
[DE-SC0001087]
FX The authors gratefully acknowledge the financial support from MoST
(2014CB643502), NSFC (51373078, 51422304 and 91433101), PCSIRT (IRT1257)
and Tianjin city (13RCGFGX01121). TPR and FL were supported by
Polymer-Based Materials for Harvesting Solar Energy (PhaSE), an Energy
Frontier Research Center funded by the U.S. Department of Energy, Office
of Basic Energy Sciences under award number DE-SC0001087.
NR 38
TC 8
Z9 8
U1 17
U2 24
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 2016
VL 4
IS 27
BP 10409
EP 10413
DI 10.1039/c6ta04358e
PG 5
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA DQ8WX
UT WOS:000379493500004
ER
PT J
AU Li, SX
Liu, WQ
Li, CZ
Liu, F
Zhang, YZ
Shi, MM
Chen, HZ
Russell, TP
AF Li, Shuixing
Liu, Wenqing
Li, Chang-Zhi
Liu, Feng
Zhang, Yingzhu
Shi, Minmin
Chen, Hongzheng
Russell, Thomas P.
TI A simple perylene diimide derivative with a highly twisted geometry as
an electron acceptor for efficient organic solar cells
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID NON-FULLERENE-ACCEPTOR; POWER CONVERSION EFFICIENCY; SMALL-MOLECULE
ACCEPTOR; POLYMER; PERFORMANCE; PHOTOVOLTAICS; DONOR; SEMICONDUCTORS;
CHAINS
AB Perylene diimide (PDI), which features intense absorption, a low-lying energy level, and high electron mobility, is a promising building block for electron acceptors in organic solar cells (OSCs). However, this planar molecule has a strong tendency to form large aggregates during film formation which strongly limits its OSC performance. Herein, we report a new and simple PDI derivative, B(PDI)(3), in which a central benzene unit is employed to connect three PDI arms. This compact arrangement of sterically bulky PDI moieties leads to a twisted molecular geometry of the resultant structure. This suppresses the strong crystallization tendency of PDI chromophores, owing to the broken molecular coplanarity and symmetry. Therefore, B(PDI) 3 is applied as a non-fullerene acceptor in OSCs, providing a good power conversion efficiency of 5.65% when blended with the PTB7-Th donor.
C1 [Li, Shuixing; Liu, Wenqing; Li, Chang-Zhi; Zhang, Yingzhu; Shi, Minmin; Chen, Hongzheng] Zhejiang Univ, MOE Key Lab Macromol Synth & Functionalizat, State Key Lab Silicon Mat, Dept Polymer Sci & Engn, Hangzhou 310027, Zhejiang, Peoples R China.
[Liu, Feng] Shanghai Jiao Tong Univ, Dept Phys & Astron, Shanghai 200240, Peoples R China.
[Liu, Feng] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA.
RP Shi, MM; Chen, HZ (reprint author), Zhejiang Univ, MOE Key Lab Macromol Synth & Functionalizat, State Key Lab Silicon Mat, Dept Polymer Sci & Engn, Hangzhou 310027, Zhejiang, Peoples R China.; Liu, F (reprint author), Shanghai Jiao Tong Univ, Dept Phys & Astron, Shanghai 200240, Peoples R China.; Liu, F (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
EM fengliu82@sjtu.edu.cn; minminshi@zju.edu.cn; hzchen@zju.edu.cn
RI Liu, Feng/J-4361-2014
OI Liu, Feng/0000-0002-5572-8512
FU National Natural Science Foundation of China [21474088, 51561145001];
Zhejiang Province Natural Science Foundation [LR13E030001]; Joint
NSFC-ISF Research Program; Israel Science Foundation [51561145001]; U.S.
Office of Naval Research [N00014-15-1-2244]; DOE, Office of Science, and
Office of Basic Energy Sciences
FX M. Shi and H. Chen would like to gratefully acknowledge the financial
support from the National Natural Science Foundation of China (No.
21474088) and the Zhejiang Province Natural Science Foundation (No.
LR13E030001). This work is also supported by the Joint NSFC-ISF Research
Program, jointly funded by the National Natural Science Foundation of
China and the Israel Science Foundation (No. 51561145001). FL and TPR
were supported by the U.S. Office of Naval Research under contract
N00014-15-1-2244. Portions of this research were carried out at beamline
7.3.3 and 11.0.1.2 at the Advanced Light Source and Molecular Foundry,
Lawrence Berkeley National Laboratory, which was supported by the DOE,
Office of Science, and Office of Basic Energy Sciences.
NR 52
TC 18
Z9 18
U1 16
U2 27
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 2016
VL 4
IS 27
BP 10659
EP 10665
DI 10.1039/c6ta04232e
PG 7
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA DQ8WX
UT WOS:000379493500035
ER
PT J
AU Gorai, P
Toberer, ES
Stevanovic, V
AF Gorai, Prashun
Toberer, Eric S.
Stevanovic, Vladan
TI Computational identification of promising thermoelectric materials among
known quasi-2D binary compounds
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID METAL DICHALCOGENIDES; THERMAL-CONDUCTIVITY; SEMICONDUCTORS;
PERFORMANCE; DESIGN; SNSE
AB Quasi low-dimensional structures are abundant among known thermoelectric materials, primarily because of their low lattice thermal conductivities. In this work, we have computationally assessed the potential of 427 known binary quasi-2D structures in 272 different chemistries for thermoelectric performance. To assess the thermoelectric performance, we employ an improved version of our previously developed descriptor for thermoelectric performance [Yan et al., Energy Environ. Sci., 2015, 8, 983]. The improvement is in the explicit treatment of van der Waals interactions in quasi-2D materials, which leads to significantly better predictions of their crystal structures and lattice thermal conductivities. The improved methodology correctly identifies known binary quasi-2D thermoelectric materials such as Sb2Te3, Bi2Te3, SnSe, SnS, InSe, and In2Se3. As a result, we propose candidate quasi-2D binary materials, a number of which have not been previously considered for thermoelectric applications.
C1 [Gorai, Prashun; Toberer, Eric S.; Stevanovic, Vladan] Colorado Sch Mines, Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Stevanovic, V (reprint author), Colorado Sch Mines, Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM Vladan.Stevanovic@nrel.gov
FU NSF DMR program [1334713]; US Department of Energy [DE-AC36-08GO28308];
NREL's LDRD program [06591403]; Department of Energy's Office of Energy
Efficiency and Renewable Energy; NREL
FX We acknowledge support from the NSF DMR program, grant no. 1334713. This
work was supported in part by the US Department of Energy under contract
No. DE-AC36-08GO28308 to NREL and through NREL's LDRD program under
grant No. 06591403. The research was performed using computational
resources sponsored by the Department of Energy's Office of Energy
Efficiency and Renewable Energy and located at the NREL.
NR 37
TC 4
Z9 4
U1 27
U2 37
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 2016
VL 4
IS 28
BP 11110
EP 11116
DI 10.1039/c6ta04121c
PG 7
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA DQ8PH
UT WOS:000379473100043
ER
PT J
AU Provino, A
Smetana, V
Paudyal, D
Gschneidner, KA
Mudring, AV
Pecharsky, VK
Manfrinetti, P
Putti, M
AF Provino, Alessia
Smetana, Volodymyr
Paudyal, Durga
Gschneidner, Karl A., Jr.
Mudring, Anja-Verena
Pecharsky, Vitalij K.
Manfrinetti, Pietro
Putti, Marina
TI Gd3Ni2 and Gd3CoxNi2-x: magnetism and unexpected Co/Ni crystallographic
ordering
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID CRYSTAL-STRUCTURE; REFRIGERATION; SYSTEMS; DY3NI2; PHASE; GD
AB The crystal structure, composition and physical properties of Gd3Ni2, which was earlier reported to exist in the Gd-Ni system without any details of its structure and properties, have been determined. This rare earth binary compound is a high-temperature phase: it forms via a peritectic reaction at 988 K (715 degrees C) and decomposes below approximate to 923 K (650 degrees C). The compound can be retained at room temperature as a metastable phase by quenching after high temperature annealing. Gd3Ni2 crystallizes in the monoclinic Dy3Ni2 structure type [mS20, C2/m (No. 12), Z = 4; with lattice parameters a = 13.418(3) angstrom, b = 3.720(1) angstrom, c = 9.640(2) angstrom, beta = 106.250(3)degrees]. Ni can be substituted by Co up to 50% (i.e. up to and including Gd3CoNi) with no change in the structural prototype; the substitution of Co for Ni stabilizes the R3CoxNi2-x phases down to room temperature. The crystal structure, magnetic properties and magnetocaloric effect (MCE) have been investigated for both Gd3Ni2 and the related Gd3CoxNi2-x solid solution alloys (0 <= x <= 1). The crystal structure of the Gd3CoNi is a ternary ordered derivative of the monoclinic Dy3Ni2-type, where Co fully occupies only one of the two 4i Wyckoff sites available for the transition metal. To the best of our knowledge, this is the first example of an intermetallic phase showing ordered site occupations by the chemically quite similar elements Co and Ni. All compounds show long range ferromagnetic ordering, with T-C progressively increasing from 147 K (for Gd3Ni2) to 176 K (for Gd3CoNi) as a cubic function of the Co content. Evidence of Co contributing to the magnetic interactions in these compounds has been found. First-principles total energy calculations predicted the ordered occupation of Co and Ni at the crystallographic sites of Gd3CoNi, which was later confirmed by single crystal X-ray diffraction. The increased conduction electronic state (3d) exchange splitting at the Fermi level supports the experimentally observed enhanced Curie temperature in Gd3CoNi compared to Gd3Ni2.
C1 [Provino, Alessia; Smetana, Volodymyr; Paudyal, Durga; Gschneidner, Karl A., Jr.; Mudring, Anja-Verena; Pecharsky, Vitalij K.; Manfrinetti, Pietro] Iowa State Univ, Div Mat Sci & Engn, US Dept Energy, Ames Lab, Ames, IA 50011 USA.
[Provino, Alessia; Manfrinetti, Pietro] Univ Genoa, Dept Chem, Via Dodecaneso 31, I-16146 Genoa, Italy.
[Provino, Alessia; Manfrinetti, Pietro; Putti, Marina] Inst SPIN CNR, Corso Perrone 24, I-16152 Genoa, Italy.
[Smetana, Volodymyr; Gschneidner, Karl A., Jr.; Mudring, Anja-Verena; Pecharsky, Vitalij K.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
[Putti, Marina] Univ Genoa, Dept Phys, Via Dodecaneso 33, I-16146 Genoa, Italy.
RP Provino, A (reprint author), Iowa State Univ, Div Mat Sci & Engn, US Dept Energy, Ames Lab, Ames, IA 50011 USA.; Provino, A (reprint author), Univ Genoa, Dept Chem, Via Dodecaneso 31, I-16146 Genoa, Italy.; Provino, A (reprint author), Inst SPIN CNR, Corso Perrone 24, I-16152 Genoa, Italy.
EM alessia.provino@spin.cnr.it
RI Putti, Marina/N-2844-2014; Smetana, Volodymyr/C-1340-2015
OI Putti, Marina/0000-0002-4529-1708;
FU US Department of Energy (DOE), Office of Science, Basic Energy Sciences
Programs, Materials Science and Engineering Division; US DOE
[DE-AC02-07CH11358]
FX This work was supported by the US Department of Energy (DOE), Office of
Science, Basic Energy Sciences Programs, Materials Science and
Engineering Division. The phase identification, phase characterization
and analysis of thermal stability of the compounds were performed at the
Department of Chemistry (University of Genova). The structural
determination, physical property measurements and theoretical
calculations were carried out at the Ames Laboratory, which is operated
for the US DOE by Iowa State University under contract No.
DE-AC02-07CH11358.
NR 47
TC 0
Z9 0
U1 3
U2 7
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 2016
VL 4
IS 25
BP 6078
EP 6089
DI 10.1039/c6tc01035k
PG 12
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA DP8AF
UT WOS:000378719600023
ER
PT J
AU Bevelhimer, MS
Deng, ZD
Scherelis, C
AF Bevelhimer, Mark S.
Deng, Z. Daniel
Scherelis, Constantin
TI Characterizing large river sounds: Providing context for understanding
the environmental effects of noise produced by hydrokinetic turbines
SO JOURNAL OF THE ACOUSTICAL SOCIETY OF AMERICA
LA English
DT Article
ID AMBIENT NOISE; SHIP NOISE; FISH; COMMUNICATION; DESIGN; IMPACT
AB Underwater noise associated with the installation and operation of hydrokinetic turbines in rivers and tidal zones presents a potential environmental concern for fish and marine mammals. Comparing the spectral quality of sounds emitted by hydrokinetic turbines to natural and other anthropogenic sound sources is an initial step at understanding potential environmental impacts. Underwater recordings were obtained from passing vessels and natural underwater sound sources in static and flowing waters. Static water measurements were taken in a lake with minimal background noise. Flowing water measurements were taken at a previously proposed deployment site for hydrokinetic turbines on the Mississippi River, where sounds created by flowing water are part of all measurements, both natural ambient and anthropogenic sources. Vessel sizes ranged from a small fishing boat with 60 hp outboard motor to an 18-unit barge train being pushed upstream by tugboat. As expected, large vessels with large engines created the highest sound levels, which were, on average, 40 dB greater than the sound created by an operating hydrokinetic turbine. A comparison of sound levels from the same sources at different distances using both spherical and cylindrical sound attenuation functions suggests that spherical model results more closely approximate observed sound attenuation.
C1 [Bevelhimer, Mark S.; Scherelis, Constantin] Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA.
[Deng, Z. Daniel] Pacific Northwest Natl Lab, Energy & Environm Directorate, POB 999,MSIN K9-33, Richland, WA 99354 USA.
[Scherelis, Constantin] Univ Maine, Sch Marine Sci, 5741 Libby Hall,Room 219, Orono, ME 04469 USA.
RP Bevelhimer, MS (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA.
EM bevelhimerms@ornl.gov
RI Deng, Daniel/A-9536-2011
OI Deng, Daniel/0000-0002-8300-8766
FU United States Department of Energy's (DOE) Office of Energy Efficiency
and Renewable Energy, Water Power Program; U.S. Department of Energy
[DE-AC05-00OR22725]
FX Max Cange helped collect field recordings. Scientific Solutions Inc. and
Ocean Renewable Power Company provided the sound recording of the TidGen
turbine. Colleagues at the Pacific Northwest National Laboratory
provided the sound recording equipment and sound analysis software.
Jocelyn Brown-Saracino, Samantha Bickel, and Glenn Cada provided
valuable comments on an early draft of this manuscript. This research
was supported by the United States Department of Energy's (DOE) Office
of Energy Efficiency and Renewable Energy, Water Power Program. This
manuscript has been authored by UT-Battelle, LLC under Contract No.
DE-AC05-00OR22725 with the U.S. Department of Energy.
NR 45
TC 0
Z9 0
U1 8
U2 13
PU ACOUSTICAL SOC AMER AMER INST PHYSICS
PI MELVILLE
PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA
SN 0001-4966
EI 1520-8524
J9 J ACOUST SOC AM
JI J. Acoust. Soc. Am.
PD JAN
PY 2016
VL 139
IS 1
BP 85
EP 92
DI 10.1121/1.4939120
PG 8
WC Acoustics; Audiology & Speech-Language Pathology
SC Acoustics; Audiology & Speech-Language Pathology
GA DQ9ZO
UT WOS:000379568000011
PM 26827007
ER
PT J
AU Iddir, H
Bareno, J
Benedek, R
AF Iddir, Hakim
Bareno, Javier
Benedek, Roy
TI Stability of Li- and Mn-Rich Layered-Oxide Cathodes within the
First-Charge Voltage Plateau
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID LITHIUM-ION BATTERIES; REVERSIBLE OXYGEN PARTICIPATION;
X-RAY-DIFFRACTION; STRUCTURAL TRANSFORMATION; ELECTRON-MICROSCOPY; REDOX
PROCESSES; LOCAL-STRUCTURE; ENERGY DENSITY; ANIONIC REDOX; CAPACITY
AB Li and Mn rich layered oxides xLi(2)MnO(3)center dot(1-x)LiMO2 enable high capacity and energy density Li-ion batteries, but undergo structural transformations during the first charge that degrade their performance, and result in Voltage Fade upon cycling. First-principles density-functional-theory simulations reveal atomic transformations that occur in the bulk during the first charge. The simulations and experiment (particularly XRD) show that the O and Mn sublattices remain intact during the early part of the voltage plateau, and significant transformations occur only well into the voltage plateau, with perhaps close to half of the Li in the Li2MnO3 domains removed. That Voltage Fade is actually observed experimentally for a first charge with only minimal activation (extending only slightly beyond the onset of the voltage plateau) may be a consequence of surface and interface instabilities. Implications for the achievement of high energy-density, low-fade battery operation are discussed. (C) 2016 The Electrochemical Society. All rights reserved.
C1 [Iddir, Hakim; Bareno, Javier; Benedek, Roy] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Benedek, R (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM benedek@anl.gov
FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231];
Applied Battery Research Program of the Office of Vehicle Technologies,
U.S. Department of Energy; [DE-AC02-06CH11357]
FX We are grateful to Zonghai Chen, and others in the Argonne Battery
Department, for helpful discussions. 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.
Computer time allocations at the Fusion Computer Facility, Argonne
National Laboratory and at EMSL Pacific Northwest National Laboratory
are gratefully acknowledged. This research used resources of the
National Energy Research Scientific Computing Center, which is supported
by the Office of Science of the U.S. Department of Energy under Contract
No. DE-AC02-05CH11231. This work was supported by the Applied Battery
Research Program of the Office of Vehicle Technologies, U.S. Department
of Energy.
NR 42
TC 1
Z9 1
U1 6
U2 15
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 2016
VL 163
IS 8
BP A1784
EP A1789
DI 10.1149/2.0011609jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA DR1TO
UT WOS:000379688000040
ER
PT J
AU Kim, SU
Perdue, B
Apblett, CA
Srinivasan, V
AF Kim, Sun Ung
Perdue, Brian
Apblett, Christopher A.
Srinivasan, Venkat
TI Understanding Performance Limitations to Enable High Performance
Magnesium-Ion Batteries
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID RECHARGEABLE MG BATTERIES; CRYSTAL-STRUCTURE; CHEVREL PHASES;
ELECTROLYTE-SOLUTIONS; ENERGY-STORAGE; INSERTION CELL; MGXMO6T8 T;
LITHIUM; INTERCALATION; DEPOSITION
AB A mathematical model was developed to investigate the performance limiting factors of Mg-ion battery with a Chevrel phase (MgxMo6S8) cathode and a Mg metal anode. The model was validated using experimental data from the literature [Cheng et al., Chem. Mater., 26, 4904 (2014)]. Two electrochemical reactions of the Chevrel phase with significantly different kinetics and solid diffusion were included in the porous electrode model, which captured the physics sufficiently well to generate charge curves of five rates (0.1C-2C) for two different particle sizes. Limitation analysis indicated that the solid diffusion and kinetics in the higher-voltage plateau limit the capacity and increase the overpotential in the Cheng et al.'s thin (20-mu m) electrodes. The model reveals that the performance of the cells with reasonable thickness would also be subject to electrolyte-phase limitations. The simulation also suggested that the polarization losses on discharge will be lower than that on charge, because of the differences in the kinetics and solid diffusion between the two reactions of the Chevrel phase. (C) The Author(s) 2016. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution 4.0 License (CC BY, http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse of the work in any medium, provided the original work is properly cited. All rights reserved.
C1 [Kim, Sun Ung; Perdue, Brian; Apblett, Christopher A.; Srinivasan, Venkat] Argonne Natl Lab, Joint Ctr Energy Storage Res, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Kim, Sun Ung; Srinivasan, Venkat] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Perdue, Brian; Apblett, Christopher A.] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA.
RP Srinivasan, V (reprint author), Argonne Natl Lab, Joint Ctr Energy Storage Res, 9700 S Cass Ave, Argonne, IL 60439 USA.; Srinivasan, V (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM Vsrinivasan@lbl.gov
FU Joint Center for Energy Storage Research, an Energy Innovation Hub -
U.S. Department of Energy (DOE), Office of Science, Basic Energy
Sciences (BES); U.S. Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]
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 (DOE), Office of Science, Basic Energy Sciences (BES). 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. Authors
appreciate Cheng et al. at the Pacific Northwest National Laboratory for
providing the data for the analysis.
NR 47
TC 0
Z9 0
U1 17
U2 28
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 2016
VL 163
IS 8
BP A1535
EP A1542
DI 10.1149/2.0321608jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA DR1TO
UT WOS:000379688000007
ER
PT J
AU Pan, BF
Huang, JH
Sa, NY
Brombosz, SM
Vaughey, JT
Zhang, L
Burrell, AK
Zhang, ZC
Liao, C
AF Pan, Baofei
Huang, Jinhua
Sa, Niya
Brombosz, Scott M.
Vaughey, John T.
Zhang, Lu
Burrell, Anthony K.
Zhang, Zhengcheng
Liao, Chen
TI MgCl2: The Key Ingredient to Improve Chloride Containing Electrolytes
for Rechargeable Magnesium-Ion Batteries
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID STABILITY; WINDOW; MG2+
AB The effect of MgCl2 on a series of chloride containing magnesium electrolytes was investigated. In the presence of extra MgCl2, the electrochemical properties of Grignard reagents (RMgCl, R = Ph, Et, iPr) were significantly improved, and the advantage of MgCl2 was further demonstrated in Mg-Mo6S8 rechargeable batteries with improved capacities and much smaller over-potentials. MgCl2 was then further proven to be a powerful reagent to improve the performance of well-established strong Lewis acid derived magnesium electrolytes including the "all-phenyl" complex (APC) and alkoxide-based magnesium electrolytes. The results suggest that MgCl2 salt is a very important species to benefit all chloride containing electrolytes for rechargeable magnesium-ion batteries. (C) 2016 The Electrochemical Society. All rights reserved.
C1 [Pan, Baofei; Huang, Jinhua; Sa, Niya; Vaughey, John T.; Zhang, Lu; Burrell, Anthony K.; Zhang, Zhengcheng; Liao, Chen] Argonne Natl Lab, Chem Sci & Engn Div, Joint Ctr Energy Storage Res, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Brombosz, Scott M.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Pan, BF (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Joint Ctr Energy Storage Res, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM panb@anl.gov; liaoc@anl.gov
RI SA, NIYA/E-8521-2017
FU Joint Center for Energy Storage Research, an Energy Innovation Hub -
U.S. Department of Energy, Office of Science, 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. 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 3
Z9 3
U1 15
U2 22
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 2016
VL 163
IS 8
BP A1672
EP A1677
DI 10.1149/2.0821608jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA DR1TO
UT WOS:000379688000025
ER
PT J
AU Reinholz, EL
Roberts, SA
Apblett, CA
Lechman, JB
Schunk, PR
AF Reinholz, Emilee L.
Roberts, Scott A.
Apblett, Christopher A.
Lechman, Jeremy B.
Schunk, P. Randall
TI Composition and Manufacturing Effects on Electrical Conductivity of
Li/FeS2 Thermal Battery Cathodes
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID MICRO-COMPUTED TOMOGRAPHY; ELECTRODE PERFORMANCE; FINITE-ELEMENT; PYRITE
FES2; FUEL-CELL; FLUID
AB Electrical conductivity is key to the performance of thermal battery cathodes. In this work we present the effects of manufacturing and processing conditions on the electrical conductivity of Li/FeS2 thermal battery cathodes. We use finite element simulations to compute the conductivity of three-dimensional microcomputed tomography cathode microstructures and compare results to experimental impedance spectroscopy measurements. A regression analysis reveals a predictive relationship between composition, processing conditions, and electrical conductivity; a trend which is largely erased after thermally-induced deformation. The trend applies to both experimental and simulation results, although is not as apparent in simulations. This research is a step toward a more fundamental understanding of the effects of processing and composition on thermal battery component microstructure, properties, and performance. (C) The Author(s) 2016. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution Non-Commercial No Derivatives 4.0 License (CC BY-NC-ND, http://creativecommons.org/licenses/by-nc-nd/4.0/),which permits non-commercial reuse, distribution, and reproduction in any medium, provided the original work is not changed in any way and is properly cited. For permission for commercial reuse, please email: oa@electrochem.org. All rights reserved.
C1 [Reinholz, Emilee L.; Roberts, Scott A.; Apblett, Christopher A.; Lechman, Jeremy B.; Schunk, P. Randall] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Reinholz, Emilee L.; Schunk, P. Randall] Univ New Mexico, Albuquerque, NM 87185 USA.
RP Reinholz, EL (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.; Reinholz, EL (reprint author), Univ New Mexico, Albuquerque, NM 87185 USA.
EM elreinh@sandia.gov
RI Roberts, Scott/C-1158-2009
OI Roberts, Scott/0000-0002-4196-6771
FU U.S. Department of Energy's National Nuclear Security Administration
[DEAC04-94AL85000]
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 DEAC04-94AL85000.
NR 31
TC 1
Z9 1
U1 5
U2 11
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 2016
VL 163
IS 8
BP A1723
EP A1729
DI 10.1149/2.1191608jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA DR1TO
UT WOS:000379688000032
ER
PT J
AU Tornheim, A
Trask, SE
Zhang, ZC
AF Tornheim, Adam
Trask, Stephen E.
Zhang, Zhengcheng
TI Evaluation of Electrolyte Oxidation Stability on Charged
LiNi0.5Co0.2Mn0.3O2 Cathode Surface through Potentiostatic Holds
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID LITHIUM-ION BATTERIES; MANGANESE OXIDE CATHODE; INTERFACE SEI FILM;
HIGH-VOLTAGE; ELECTROCHEMICAL PERFORMANCE; LINI0.5MN1.5O4 CATHODES;
CELLS; SPECTROSCOPY; TEMPERATURE; CARBONATE
AB The electrolyte oxidation rate was measured at 4.6 V vs. Li+/Li for a NCM/LTO full cell at temperatures ranging from room temperature to 55 degrees C. A large (similar to 2.5) N/P ratio was used in electrode fabrication to enable a stable reference in the Li4Ti5O12 electrode for both cycling and the potentiostatic hold regimes. LTO was used to prevent electrolyte reduction from contributing to the signal, as well as providing a stable impedance. For the alkyl carbonate electrolyte used, oxidation rate at room temperature to 45 degrees C approximately ranged from 1-2 mu A, as measured during the terminal 4.2 hours of a 60 hour potentiostatic hold. Many cells aged at 55 degrees C indicated increasing, unstable currents. Upon the completion of the hold, the cells were cycled to evaluate the effect of the hold and analyzed with AC impedance spectroscopy. Higher temperatures during the potentiostatic hold led to lower capacities during post-aging cycling, as well as higher impedance as measured with EIS. (C) 2016 The Electrochemical Society. All rights reserved.
C1 [Tornheim, Adam; Trask, Stephen E.; Zhang, Zhengcheng] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Zhang, ZC (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM zzhang@anl.gov
FU Vehicle Technologies Program, Hybrid and Electric Systems, David Howell
and Peter Faguy at the U.S. Department of Energy, Office of Energy
Efficiency and Renewable Energy; DOE Office of Vehicle Technologies
[DE-AC02-06CH11357]
FX Support from the Vehicle Technologies Program, Hybrid and Electric
Systems, David Howell and Peter Faguy at the U.S. Department of Energy,
Office of Energy Efficiency and Renewable Energy, is gratefully
acknowledged. This work was performed under the auspices of the DOE
Office of Vehicle Technologies, under Contract No. DE-AC02-06CH11357.
The electrodes in this study were fabricated in the Cell Analysis,
Modeling, and Prototyping (CAMP) Facility's cell fabrication dry room
lab utilizing pilot scale semi-automated equipment.
NR 42
TC 0
Z9 0
U1 9
U2 14
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 2016
VL 163
IS 8
BP A1717
EP A1722
DI 10.1149/2.1051608jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA DR1TO
UT WOS:000379688000031
ER
PT J
AU Gandomi, YA
Edmundson, MD
Busby, FC
Mench, MM
AF Gandomi, Yasser Ashraf
Edmundson, M. D.
Busby, F. C.
Mench, Matthew M.
TI Water Management in Polymer Electrolyte Fuel Cells through Asymmetric
Thermal and Mass Transport Engineering of the Micro-Porous Layers
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID REDOX FLOW BATTERY; MICROPOROUS LAYER; ELECTROOSMOTIC DRAG; CONTACT
RESISTANCE; INSERTION CELL; MEMBRANE; MODEL; DIFFUSION; PEMFCS;
CONDUCTIVITY
AB For polymer electrolyte fuel cells (PEFCs) operating at very high current, prevention of anode dry-out through enhanced back flux of water and restriction of evaporation is required. In this work, back flux of water to the anode is engineered using an asymmetric anode and cathode micro-porous layer (MPL) configuration. Extensive experimental tests have been conducted to study the impact of thermal and mass transport resistances on the net water flux coefficient for extremes of wet and dry operating conditions. The net water drag co-efficient was measured in the range of -0.17 to +0.18 depending on the operating conditions and material configurations. A simplified model has also been developed to investigate the effect of temperature gradient on the net water drag coefficient. It is shown that with an asymmetric configuration, the net flux of water can be reversed under certain conditions, greatly enhancing high current density performance. For wet operating conditions, the cell configuration with asymmetric mass transport resistance can be utilized to tailor the back flux of water. For dry operating conditions, the thermal resistance is the key controlling parameter to affect the net water drag. (C) The Author(s) 2016. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution Non-Commercial No Derivatives 4.0 License (CC BY-NC-ND, http://creativecommons.org/licenses/by-nc-nd/4.0/), which permits non-commercial reuse, distribution, and reproduction in any medium, provided the original work is not changed in any way and is properly cited. For permission for commercial reuse, please email: oa@electrochem.org. All rights reserved.
C1 [Gandomi, Yasser Ashraf; Mench, Matthew M.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Electrochem Energy Storage & Convers Lab, Knoxville, TN 37996 USA.
[Edmundson, M. D.; Busby, F. C.] WL Gore & Assoc Inc, Elkton, MD 21921 USA.
[Mench, Matthew M.] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA.
RP Mench, MM (reprint author), Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Electrochem Energy Storage & Convers Lab, Knoxville, TN 37996 USA.; Mench, MM (reprint author), Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA.
EM mmench@utk.edu
FU Department of Energy (DOE) [DE-FC36-086018052]; University of Tennessee
FX The Authors thank for the financial support for this work from the
Department of Energy (DOE), project number: DE-FC36-086018052
"Manufacturing of Low-cost, Durable Membrane Electrode Assemblies
Engineered for Rapid Conditioning".; Yasser Ashraf Gandomi would also
like to acknowledge University of Tennessee for providing a Chancellors
Graduate Fellowship. The authors also thank W. L. Gore for providing the
materials and Dr. A. K. Srouji and M. P. Manahan for their useful
discussions.
NR 53
TC 1
Z9 1
U1 5
U2 5
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 8
BP F933
EP F944
DI 10.1149/2.1331608jes
PG 12
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA DR1TO
UT WOS:000379688000112
ER
PT J
AU Li, N
Demkowicz, M
Mara, N
Wang, YQ
Misra, A
AF Li, Nan
Demkowicz, Michael
Mara, Nathan
Wang, Yongqiang
Misra, Amit
TI Hardening due to Interfacial He Bubbles in Nanolayered Composites
SO MATERIALS RESEARCH LETTERS
LA English
DT Article
DE Interfacial He bubbles; dislocation slip transmission; interface shear
resistance
ID RADIATION-DAMAGE; HELIUM; METALS; DISLOCATION; IRRADIATION; MULTILAYERS;
MECHANISMS; EMBRITTLEMENT; NUCLEATION; MIGRATION
AB A series of helium (He) implantations with varying energies and doses were used to introduce bubbles into interfaces in Cu/Mo, Cu/V and Cu/Nb nanolayered composites. Micro-pillar compression testing revealed that the interfacial He bubbles give rise to modest hardening as compared to those in grain interiors. The flow stress enhancement is proportional to the strength of the un-implanted sample. We discuss the influence of the structure of the interfacial dislocation network, the shear resistance of the interfaces, and atomic-level interface steps on hardening. Interfaces with higher density of misfit dislocation intersections and lower shear resistance tend to provide greater hardening.
C1 [Li, Nan; Mara, Nathan] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
[Demkowicz, Michael] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA.
[Wang, Yongqiang] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA.
[Mara, Nathan] Los Alamos Natl Lab, Inst Mat Sci, Los Alamos, NM 87545 USA.
[Misra, Amit] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA.
RP Li, N (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
EM nanli@lanl.gov
RI Li, Nan /F-8459-2010;
OI Li, Nan /0000-0002-8248-9027; Mara, Nathan/0000-0002-9135-4693
FU Center for Materials at Irradiation and Mechanical Extremes, an Energy
Frontier Research Center - US Department of Energy, Office of Science,
Office of Basic Energy Sciences [2008LANL1026]; Los Alamos National
Laboratory Directed Research and Development project [20150567ER]; U.S.
Department of Energy (DOE) Office of Science [DE-AC52-06NA25396]
FX This work was sponsored by the Center for Materials at Irradiation and
Mechanical Extremes, an Energy Frontier Research Center funded by the US
Department of Energy, Office of Science, Office of Basic Energy Sciences
under Award Number 2008LANL1026. N.L. and Y.Q.W. are also grateful for
the partial support provided by Los Alamos National Laboratory Directed
Research and Development project 20150567ER. Micro-pillar compression
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 by Los Alamos National Laboratory (Contract
DE-AC52-06NA25396). The authors thank J.K. Baldwin for sputter
deposition.
NR 56
TC 0
Z9 0
U1 6
U2 9
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 2166-3831
J9 MATER RES LETT
JI Mater. Res. Lett.
PY 2016
VL 4
IS 2
BP 75
EP 82
DI 10.1080/21663831.2015.1110730
PG 8
WC Materials Science, Multidisciplinary
SC Materials Science
GA DQ8ZH
UT WOS:000379499700002
ER
PT J
AU Muntifering, B
Blair, SJ
Gong, C
Dunn, A
Dingreville, R
Qu, JM
Hattar, K
AF Muntifering, Brittany
Blair, Sarah Jane
Gong, Cajer
Dunn, Aaron
Dingreville, Remi
Qu, Jianmin
Hattar, Khalid
TI Cavity Evolution at Grain Boundaries as a Function of Radiation Damage
and Thermal Conditions in Nanocrystalline Nickel
SO MATERIALS RESEARCH LETTERS
LA English
DT Article
DE In situ TEM; Radiation; Helium Implantation; Cavity Evolution;
Nanocrystalline Nickel
ID NANOSTRUCTURED FERRITIC ALLOYS; NEUTRON-IRRADIATED NICKEL; SITU ION
IRRADIATION; VOID FORMATION; HELIUM BUBBLES; DEGREES-C; IMPLANTATION;
FISSION; GROWTH; COPPER
AB Enhanced radiation tolerance of nanostructured metals is attributed to the high density of interfaces that can absorb radiation-induced defects. Here, cavity evolution mechanisms during cascade damage, helium implantation, and annealing of nanocrystalline nickel are characterized via in situ transmission electron microscopy (TEM). Films subjected to self-ion irradiation followed by helium implantation developed evenly distributed cavity structures, whereas films exposed in the reversed order developed cavities preferentially distributed along grain boundaries. Post-irradiation annealing and orientation mapping demonstrated uniform cavity growth in the nanocrystalline structure, and cavities spanning multiple grains. These mechanisms suggest limited ability to reduce swelling, despite the stability of the nanostructure.
C1 [Muntifering, Brittany; Blair, Sarah Jane; Gong, Cajer; Dunn, Aaron; Dingreville, Remi; Hattar, Khalid] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Muntifering, Brittany; Qu, Jianmin] Northwestern Univ, Dept Civil & Environm Engn, Evanston, IL 60208 USA.
[Blair, Sarah Jane] Univ New Mexico, Dept Chem Engn, Albuquerque, NM 87131 USA.
[Gong, Cajer] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA.
[Dunn, Aaron] George W Woodruff Sch Mech Engn, Georgia Inst Technol, UMI Georgia Tech CNRS 2958, F-57070 Metz, France.
[Qu, Jianmin] Tufts Univ, Sch Engn, Medford, MA 02155 USA.
RP Hattar, K (reprint author), Sandia Natl Labs, Albuquerque, NM 87185 USA.
EM khattar@sandia.gov
OI Dingreville, Remi/0000-0003-1613-695X
FU US Department of Energy's Nuclear Energy University Program
[DE-NE0000678]; NSF; U.S. Department of Energy (DOE), Office of Science,
Basic Energy Sciences (BES); U.S. Department of Energy's National
Nuclear Security Administration [DE-AC04-94AL85000]
FX This work is primarily supported by the US Department of Energy's
Nuclear Energy University Program [DE-NE0000678]. SJB was supported
through NSF-Funded STEP Program at the University of New Mexico. Work by
CG and KH was partially supported by the U.S. Department of Energy
(DOE), Office of Science, Basic Energy Sciences (BES). 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 32
TC 0
Z9 0
U1 6
U2 7
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 2166-3831
J9 MATER RES LETT
JI Mater. Res. Lett.
PY 2016
VL 4
IS 2
BP 96
EP 103
DI 10.1080/21663831.2015.1121165
PG 8
WC Materials Science, Multidisciplinary
SC Materials Science
GA DQ8ZH
UT WOS:000379499700005
ER
PT J
AU Blaby-Haas, CE
Castruita, M
Fitz-Gibbon, ST
Kropat, J
Merchant, SS
AF Blaby-Haas, Crysten E.
Castruita, Madeli
Fitz-Gibbon, Sorel T.
Kropat, Janette
Merchant, Sabeeha S.
TI Ni induces the CRR1-dependent regulon revealing overlap and distinction
between hypoxia and Cu deficiency responses in Chlamydomonas reinhardtii
SO METALLOMICS
LA English
DT Article; Proceedings Paper
CT International Symposium on Metallomics
CY SEP 09-12, 2015
CL Beijing, PEOPLES R CHINA
ID GENE-EXPRESSION; COPPER-DEFICIENCY; TRANSCRIPTIONAL REGULATION; METAL
HOMEOSTASIS; CADMIUM TOXICITY; IRON; NICKEL; HYDROXYLASES; PROTEIN;
STRESS
AB The selectivity of metal sensors for a single metal ion is critical for cellular metal homeostasis. A suite of metal-responsive regulators is required to maintain a prescribed balance of metal ions ensuring that each apoprotein binds the correct metal. However, there are cases when non-essential metals ions disrupt proper metal sensing. An analysis of the Ni-responsive transcriptome of the green alga Chlamydomonas reinhardtii reveals that Ni artificially turns on the CRR1-dependent Cu-response regulon. Since this regulon also responds to hypoxia, a combinatorial transcriptome analysis was leveraged to gain insight into the mechanisms by which Ni interferes with the homeostatic regulation of Cu and oxygen status. Based on parallels with the effect of Ni on the hypoxic response in animals, we propose that a possible link between Cu, oxygen and Ni sensing is an as yet uncharacterized prolyl hydroxylase that regulates a co-activator of CRR1. This analysis also identified transcriptional responses to the pharmacological activation of the Cu-deficiency regulon. Although the Ni-responsive CRR1 regulon is composed of 56 genes (defined as the primary response), 259 transcripts responded to Ni treatment only when a copy of the wild-type CRR1 gene was present. The genome-wide impact of CRR1 target genes on the transcriptome was also evident from the 210 transcripts that were at least 2-fold higher in the crr1 strain, where the abundance of many CRR1 targets was suppressed. Additionally, we identified 120 transcripts that responded to Ni independent of CRR1 function. The putative functions of the proteins encoded by these transcripts suggest that high Ni results in protein damage.
C1 [Blaby-Haas, Crysten E.; Castruita, Madeli; Fitz-Gibbon, Sorel T.; Kropat, Janette; Merchant, Sabeeha S.] Univ Calif Los Angeles, Dept Chem & Biochem, 607 Charles E Young Dr East, Los Angeles, CA 90095 USA.
[Fitz-Gibbon, Sorel T.] Univ Calif Los Angeles, Dept Mol Cell & Dev Biol, Los Angeles, CA 90095 USA.
[Merchant, Sabeeha S.] Univ Calif Los Angeles, Inst Genom & Prote, 611 Charles E Young Dr East, Los Angeles, CA 90095 USA.
RP Blaby-Haas, CE; Merchant, SS (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, 607 Charles E Young Dr East, Los Angeles, CA 90095 USA.; Merchant, SS (reprint author), Univ Calif Los Angeles, Inst Genom & Prote, 611 Charles E Young Dr East, Los Angeles, CA 90095 USA.; Blaby-Haas, CE (reprint author), Brookhaven Natl Lab, Dept Biol, 50 Bell Ave,Bldg 463, Upton, NY 11973 USA.
EM cblaby@bnl.gov; merchant@chem.ucla.edu
OI Blaby, Crysten/0000-0002-1583-1291
FU National Institutes of Health (NIH) [GM092473, GM42143]; Individual
Kirschstein National Research Service Award [GM100753]; Office of
Biological and Environmental Research of the Department of Energy
FX This work was supported by the National Institutes of Health (NIH)
(GM092473 (for RNA-Seq analysis) and GM42143 to SSM). CB-H acknowledges
support from an Individual Kirschstein National Research Service Award
(GM100753) and the Office of Biological and Environmental Research of
the Department of Energy.
NR 54
TC 0
Z9 0
U1 0
U2 1
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1756-5901
EI 1756-591X
J9 METALLOMICS
JI Metallomics
PY 2016
VL 8
IS 7
BP 679
EP 691
DI 10.1039/c6mt00063k
PG 13
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA DR0BF
UT WOS:000379572300007
PM 27172123
ER
PT J
AU Simonson, T
Roux, B
AF Simonson, Thomas
Roux, Benoit
TI Concepts and protocols for electrostatic free energies
SO MOLECULAR SIMULATION
LA English
DT Article
DE Free energy simulation; Coulomb potential; molecular dynamics; Ewald
summation; dielectric relaxation
ID MOLECULAR-DYNAMICS SIMULATIONS; PERIODIC BOUNDARY-CONDITIONS; IMPLICIT
SOLVENT MODELS; FINITE-SIZE CORRECTIONS; ENZYME ACTIVE-SITE;
REORGANIZATION ENERGY; COMPUTER-SIMULATIONS; POISSON-BOLTZMANN; CHARGED
MOLECULES; IONIC HYDRATION
AB Electrostatic free energies play an essential role in numerous biomolecular processes occurring in solution. Difficulties arise when the long-range Coulomb interaction is computed for idealised infinite simulation models with periodic boundary conditions. To maintain a neutral simulation box and a finite per-box energy, a neutralising charge density or 'gellium' is commonly used, leading to amean box potential that is constrained to be rigorously equal to zero at all times. Thus, in considering quantities such as ion solvation free energy, the potential drop to move from solvent into the usual, gas phase reference state is missing. In fact, for an infinite molecular system, the electrostatic potential itself is not uniquely defined, but takes the form of an infinite series that is only conditionally convergent. This leads to several possible computational conventions that give different values for the potential and field, all mathematically valid. For experimentally measurable quantities, however, unique results are obtained when sufficiently large simulation boxes are utilised. These concepts are detailed, as well as a fundamental, linear response theoretical framework that provides qualitative understanding of the physical processes involved, especially dielectric relaxation of the environment in response to a new solute charge. Illustrative applications to ligand binding and biomolecular electron transfer are described.
C1 [Simonson, Thomas] Ecole Polytech, CNRS, UMR7654, Biochim Lab, Palaiseau, France.
[Roux, Benoit] Univ Chicago, Dept Biochem & Mol Biol, 920 E 58Th St, Chicago, IL 60637 USA.
[Roux, Benoit] Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Simonson, T (reprint author), Ecole Polytech, CNRS, UMR7654, Biochim Lab, Palaiseau, France.; Roux, B (reprint author), Univ Chicago, Dept Biochem & Mol Biol, 920 E 58Th St, Chicago, IL 60637 USA.; Roux, B (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM thomas.simonson@polytechnique.fr; roux@uchicago.edu
FU National Science Foundation [MCB-1517221]
FX This work was supported by [grant number MCB-1517221] from the National
Science Foundation (B.R.).
NR 89
TC 3
Z9 3
U1 6
U2 11
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 0892-7022
EI 1029-0435
J9 MOL SIMULAT
JI Mol. Simul.
PY 2016
VL 42
IS 13
SI SI
BP 1090
EP 1101
DI 10.1080/08927022.2015.1121544
PG 12
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA DQ9SX
UT WOS:000379550700006
ER
PT J
AU Gamborino, D
del-Castillo-Negrete, D
Martinell, JJ
AF Gamborino, Diana
del-Castillo-Negrete, Diego
Martinell, Julio J.
TI Multi-scale statistical analysis of coronal solar activity
SO NONLINEAR PROCESSES IN GEOPHYSICS
LA English
DT Article
ID SPATIOTEMPORAL ANALYSIS; TEMPERATURE; DECOMPOSITION; FIELDS; FLARES
AB Multi-filter images from the solar corona are used to obtain temperature maps that are analyzed using techniques based on proper orthogonal decomposition (POD) in order to extract dynamical and structural information at various scales. Exploring active regions before and after a solar flare and comparing them with quiet regions, we show that the multi-scale behavior presents distinct statistical properties for each case that can be used to characterize the level of activity in a region. Information about the nature of heat transport is also to be extracted from the analysis.
C1 [Gamborino, Diana; Martinell, Julio J.] Univ Nacl Autonoma Mexico, Inst Ciencias Nucl, A Postal 70-543, Mexico City, DF, Mexico.
[del-Castillo-Negrete, Diego] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Martinell, JJ (reprint author), Univ Nacl Autonoma Mexico, Inst Ciencias Nucl, A Postal 70-543, Mexico City, DF, Mexico.
EM martinel@nucleares.unam.mx
OI Martinell, Julio J/0000-0002-2728-220X; del-Castillo-Negrete,
Diego/0000-0001-7183-801X
FU DGAPA-UNAM project [IN109115]; CONACyT project [152905]; Oak Ridge
National Laboratory for US Department of Energy [DE-AC05-00OR22725]
FX We thank Alejandro Lara for his assistance with the use of SolarSoft and
IDL. We acknowledge the use of a SolarSoft package developed by M.
Aschwanden to obtain temperature maps. This work was partially supported
by the DGAPA-UNAM IN109115 and CONACyT 152905 projects. Diego
del-Castillo-Negrete acknowledges support from the Oak Ridge National
Laboratory, managed by UT-Battelle, LLC, for the US Department of Energy
under contract DE-AC05-00OR22725.
NR 32
TC 0
Z9 0
U1 2
U2 3
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1023-5809
J9 NONLINEAR PROC GEOPH
JI Nonlinear Process Geophys.
PY 2016
VL 23
IS 4
BP 175
EP 188
DI 10.5194/npg-23-175-2016
PG 14
WC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences
SC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences
GA DQ7ZP
UT WOS:000379428800002
ER
PT J
AU Jesche, A
Fix, M
Kreyssig, A
Meier, WR
Canfield, PC
AF Jesche, A.
Fix, M.
Kreyssig, A.
Meier, W. R.
Canfield, P. C.
TI X-Ray diffraction on large single crystals using a powder diffractometer
SO PHILOSOPHICAL MAGAZINE
LA English
DT Article
DE X-Ray diffraction; single crystal; lattice parameter determination;
powder diffractometer
ID SILICON
AB Information on the lattice parameter of single crystals with known crystallographic structure allows for estimations of sample quality and composition. In many cases, it is sufficient to determine one lattice parameter or the lattice spacing along a certain, high-symmetry direction, e.g. in order to determine the composition in a substitution series by taking advantage of Vegard's rule. Here we present a guide to accurate measurements of single crystals with dimensions ranging from 200m up to several millimetres using a standard powder diffractometer in Bragg-Brentano geometry. The correction of the error introduced by the sample height and the optimisation of the alignment are discussed in detail. In particular for single crystals with a plate-like habit, the described procedure allows for measurement of the lattice spacings normal to the plates with high accuracy on a timescale of minutes.
C1 [Jesche, A.; Fix, M.] Univ Augsburg, Inst Phys, Ctr Elect Correlat & Magnetism, Augsburg, Germany.
[Jesche, A.; Kreyssig, A.; Meier, W. R.; Canfield, P. C.] Iowa State Univ, Ames Lab, Ames, IA USA.
[Kreyssig, A.; Meier, W. R.; Canfield, P. C.] Iowa State Univ, Dept Phys & Astron, Ames, IA USA.
RP Jesche, A (reprint author), Univ Augsburg, Inst Phys, Ctr Elect Correlat & Magnetism, Augsburg, Germany.; Jesche, A (reprint author), Iowa State Univ, Ames Lab, Ames, IA USA.
EM anton.jesche@physik.uni-augsburg.de
FU Deutsche Forschungsgemeinschaft [JE 748/1-1]; 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 Deutsche Forschungsgemeinschaft through
the Emmy-Noether program [grant number JE 748/1-1]; 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. Ames Laboratory is operated for the U.S. Department of
Energy by Iowa State University [contract number DE-AC02-07CH11358].
NR 12
TC 2
Z9 2
U1 6
U2 7
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 1478-6435
EI 1478-6443
J9 PHILOS MAG
JI Philos. Mag.
PY 2016
VL 96
IS 20
BP 2115
EP 2124
DI 10.1080/14786435.2016.1192725
PG 10
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Physics, Applied; Physics, Condensed Matter
SC Materials Science; Metallurgy & Metallurgical Engineering; Physics
GA DR4CZ
UT WOS:000379850400003
ER
PT B
AU Elliott, AM
Momen, AM
Benedict, M
Kiggans, J
AF Elliott, Amelia M.
Momen, Ayyoub Mehdizadeh
Benedict, Michael
Kiggans, James
GP ASME
TI EXPERIMENTAL STUDY OF THE MAXIMUM RESOLUTION AND PACKING DENSITY
ACHIEVABLE IN SINTERED AND NON-SINTERED BINDER-JET 3D PRINTED STEEL
MICROCHANNELS
SO PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS
AND EXPOSITION, 2015, VOL 2A
LA English
DT Proceedings Paper
CT ASME International Mechanical Engineering Congress and Exposition
(IMECE2015)
CY NOV 13-19, 2015
CL Houston, TX
SP ASME
AB Developing high-resolution 3D printed metallic microchannels is a challenge especially when there is an essential need for high packing density of the primary metal. While high packing density could be achieved by heating the structure to the' sintering temperature, some heat sensitive applications require other strategies to improve the packing density of primary metal. In this study the goal is to develop microchannels with high green (bound) or pack densities on the scale of 100-300 microns which have a robust mechanical structure. Binder-jet 3D printing is an additive manufacturing process in which droplets of binder are deposited via inkjet into a bed of powder. By repeatedly spreading thin layers of powder and depositing binder into the appropriate 2D profiles, complex 3D objects can be created one layer at time. Microchannels with features on the order of 500 microns were fabricated via binder jetting of steel powder and then sintered and/or infiltrated with a secondary material. The droplet volume of the inkjet-deposited binder was varied along with the print orientation. The resolution of the process, the subsequent features sizes of the microchannels, and the overall microchannel quality were studied as a function of droplet volume, orientation, and infiltration level.
C1 [Elliott, Amelia M.; Momen, Ayyoub Mehdizadeh; Kiggans, James] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Benedict, Michael] Gen Elect Appliances, Louisville, KY USA.
RP Elliott, AM (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RI kiggans, james/E-1588-2017
OI kiggans, james/0000-0001-5056-665X
NR 14
TC 0
Z9 0
U1 7
U2 10
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5735-9
PY 2016
AR UNSP V02AT02A019
PG 5
WC Engineering, Mechanical
SC Engineering
GA BF0WP
UT WOS:000379702900019
ER
PT B
AU Siahpush, A
O'Brien, J
Crepeau, J
AF Siahpush, Ali
O'Brien, James
Crepeau, John
GP ASME
TI SIMPLE HEAT TRANSFER EXPERIMENT TO EVALUATE THE SOLID/LIQUID PHASE
CHANGE THERMAL ENERGY STORAGE SYSTEM
SO PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS
AND EXPOSITION, 2015, VOL 5
LA English
DT Proceedings Paper
CT ASME International Mechanical Engineering Congress and Exposition
(IMECE2015)
CY NOV 13-19, 2015
CL Houston, TX
SP ASME
AB A detailed experimental freezing study, designed for undergraduate students, has been carried out to evaluate the heat transfer performance of a solid/liquid phase-change thermal energy storage system. The test vessel system, experimental procedure and results, and analytical solutions are discussed. The phase-change material (PCM) is contained in a vertically oriented test cylinder that is cooled at its outside boundary, resulting in radially inward freezing. Detailed quantitative time-dependent volumetric temperature distributions and freeze-front motion and shape data were experimentally obtained. To fully understand the behavior of the eicosane, four freezing tests were performed with different temperature set points as low as 10 degrees C.
In the analysis, results of a test in which molten eicosane, initially at 50 degrees C, was solidified and brought to a fmal temperature of 10 degrees C are presented. In the freezing case study, a mathematical model based on a one-dimensional analysis, which considered heat conduction as the only mode of heat transfer was developed. The phase-change medium, 99% pure eicosane (C20H42) was chosen as the PCM. Eicosane is desirable because its fusion temperature is just slightly higher than ambient temperature (36.5 degrees C), which is convenient for phase-change experimentation. Low-temperature heating can be used to melt the PCM and ambient-temperature cooling can be used to re-freeze it.
To evaluate the inward radius of fusion, several analytical and experimental approaches were considered. These approaches were (1) experimental method; (2) conduction model; (3) integral method; and (4) cumulative heat transfer method. Comparison of these methods reveals excellent agreement. In most cases, the heat transfer estimated from the freezing-front analysis was slightly higher than the heat transfer evaluated from the time-series data. The largest discrepancy occurs at fifty minutes into the experiment (10.7%).
C1 [Siahpush, Ali] Southern Utah Univ, Cedar City, UT 84720 USA.
[O'Brien, James] Idaho Natl Lab, Idaho Falls, ID USA.
[Crepeau, John] Univ ID, Moscow, ID USA.
[Siahpush, Ali] Ferris State Univ, Big Rapids, MI USA.
RP Siahpush, A (reprint author), Southern Utah Univ, Cedar City, UT 84720 USA.
EM alisiahpush@suu.edu; james.obrien@inl.gov; crepeau@uidaho.edu
NR 16
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5742-7
PY 2016
AR V005T05A025
PG 8
WC Engineering, Mechanical
SC Engineering
GA BF0WX
UT WOS:000379703600025
ER
PT B
AU Akbas, S
Martinez-Quiroga, V
Aydogan, F
Ougouag, AM
Allison, C
AF Akbas, Sabahattin
Martinez-Quiroga, Victor
Aydogan, Fatih
Ougouag, Abderrafi M.
Allison, Chris
GP ASME
TI SURVEY OF COUPLING SCHEMES IN TRADITIONAL COUPLED NEUTRONICS AND
THERMAL-HYDRAULICS CODES
SO PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS
AND EXPOSITION, 2015, VOL 6B
LA English
DT Proceedings Paper
CT ASME International Mechanical Engineering Congress and Exposition
(IMECE2015)
CY NOV 13-19, 2015
CL Houston, TX
SP ASME
ID SAFETY SYSTEM CODES; BWR TURBINE TRIP; VALIDATION; EQUATIONS;
IMPLEMENTATION; RELAP5/PARCS; KINETICS; FEATURES
AB The design and the analysis of nuclear power plants (NPPs) require computational codes to predict the behavior of the NPP nuclear components and other systems (i.e., reactor core, primary coolant system, emergency core cooling system, etc.). Coupled calculations are essential to the conduct of deterministic safety assessments.
Inasmuch as the physical phenomena that govern the performance of a nuclear reactor are always present simultaneously, ideally computational modeling of a nuclear reactor should include coupled codes that represent all of the active physical phenomena. Such multi-physics codes are under development at several institutions and are expected to become operational in the future. However, in the interim, integrated codes that incorporate modeling capabilities for two to three physical phenomena will remain useful. For example, in the conduct of safety analyses, of paramount importance are codes that couple neutronics and thermal-hydraulics, especially transient codes. Other code systems of importance to safety analyses are those that couple primary system thermal-hydraulics to fission product chemistry, neutronics to fuel performance, containment behavior and structural mechanics to thermal-hydraulics, etc. This paper surveys the methods used traditionally in the coupling of neutronic and thermal-hydraulics codes.
The neutron kinetics codes are used for computing the space-time evolution of the neutron flux and, hence, of the power distribution. The thermal-hydraulics codes, which compute mass, momentum and energy transfers, model the coolant flow and the temperature distribution. These codes can be used to compute the neutronic behavior and the thermal hydraulic states separately. However, the need to account with fidelity for the dynamic feedback between the two sets of properties (via temperature and density effects on the cross section inputs into the neutronics codes) and the requirement to model realistically the transient response of nuclear power plants and to assess the associated emergency systems and procedures imply the necessity of modeling the neutronic and thermal-hydraulics simultaneously within. a coupled code system. The focus of this paper is a comparison of the methods by which the coupling between neutron kinetics and thermal-hydraulics treatments has been traditionally achieved in various code systems. As discussed in the last section, the modern approaches to multi-physics code development are beyond the scope of this paper.
From the field of the most commonly used coupled neutron kinetic-thermal-hydraulics codes, this study selected for comparison the coupled codes RELAP5-3D (NESTLE), TRACE/PARCS, RELAP5/PARCS, ATHLET/DYN3D, RELAP5/SCDAPSIM/MOD4.0/NESTLE. The choice was inspired by how widespread the use of the codes is, but was limited by time availability. Thus, the selection of codes is not to be construed as exhaustive, nor is there any implication of priority about the methods used by the various codes.
These codes were developed by a variety of institutions (universities, research centers, and laboratories) geographically located away from each other. Each of the research group that developed these coupled code systems used its own combination of initial codes as well as different methods and assumptions in the coupling process. For instance, all these neutron kinetics codes solve the few-groups neutron diffusion equations. However, the data they use may be based on different lattice physics codes. The neutronics solvers may use different methods, ranging from point kinetics method (in some versions of RELAP5) to nodal expansion methods (NEM), to semi-analytic nodal methods, to the analytic nodal method (ANM). Similarly, the thermal hydraulics codes use several different approaches: different number of coolant fields, homogenous equilibrium model, separate flow model, different numbers of conservation equations, etc. Therefore, not only the physical models but also the assumptions of the coupled codes and coupling techniques vary significantly. This paper compares coupled codes qualitatively and quantitatively. The results of this study are being used both to guide the selection of appropriate coupled codes and to identify further developments into coupled codes.
C1 [Akbas, Sabahattin; Aydogan, Fatih] Univ Idaho, Ctr Adv Studies, Idaho Falls, ID 83402 USA.
[Akbas, Sabahattin] Bozok Univ, Sci & Technol Applicat & Res Ctr, Yozgat, Turkey.
[Martinez-Quiroga, Victor; Allison, Chris] Innovat Syst Software, Idaho Falls, ID USA.
[Ougouag, Abderrafi M.] Idaho Natl Lab, Idaho Falls, ID USA.
RP Akbas, S (reprint author), Univ Idaho, Ctr Adv Studies, Idaho Falls, ID 83402 USA.
NR 74
TC 0
Z9 0
U1 1
U2 1
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5744-1
PY 2016
AR V06BT07A027
PG 18
WC Engineering, Mechanical
SC Engineering
GA BF0WU
UT WOS:000379703400027
ER
PT B
AU Hawkes, GL
Sterbentz, JW
Pham, BT
AF Hawkes, Grant L.
Sterbentz, James W.
Pham, Binh T.
GP ASME
TI SENSITIVITY EVALUATION OF THE AGR 3-4 EXPERIMENT THERMAL MODEL
IRRADIATED IN THE ADVANCED TEST REACTOR
SO PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS
AND EXPOSITION, 2015, VOL 6B
LA English
DT Proceedings Paper
CT ASME International Mechanical Engineering Congress and Exposition
(IMECE2015)
CY NOV 13-19, 2015
CL Houston, TX
SP ASME
AB A temperature sensitivity evaluation has been performed on a thermal model for the AGR-3/4 fuel experiment on an individual capsule. The experiment was irradiated in the Advanced Test Reactor (ATR) at the Idaho National Laboratory (INL). Four TRISO fuel irradiation experiments are planned for the Advanced Gas Reactor (AGR) Fuel Development and. Qualification Program which supports the development of the Very High Temperature Gas-cooled Reactor under the Next Generation Nuclear Plant project.
AGR-3/4 is the third TRISO-particle fuel test of the four planned and is intended to test tri-structural-isotropic (TRISO)-coated, low-enriched uranium oxy-carbide fuel. The AGR-3/4 test was specifically designed to assess fission product transport through various graphite materials. The AGR-3/4 irradiation test in the ATR started in December 2011 and finished in April 2014. Forty-eight (48) TRISO-particle fueled compacts were inserted into 12 separate capsules for the experiment (four compacts per capsule).
The purpose of this analysis was to assess the sensitivity of input variables for the capsule thermal model. A series of cases were compared to a base case by varying different input parameters into the ABAQUS finite element thermal model. These input parameters were varied by +/- 10% to show the temperature sensitivity to each parameter. The most sensitive parameter was the compact heat rates, followed by the outer control gap distance and neon gas fraction. Thermal conductivity of the compacts and thermal conductivity of the various graphite layers vary with fast neutron fluence and exhibited moderate sensitivity. The least sensitive parameters were the emissivities of the stainless steel and graphite, along with gamma heat rate in the non-fueled components. Separate sensitivity calculations were performed varying with fast neutron fluence, showing a general temperature rise with an increase in fast neutron fluence. This is a result of the control gas gap becoming larger due to the graphite shrinkage with neutron damage. A smaller sensitivity is due to the thermal conductivity of the fuel compacts with fast neutron fluence.
Heat rates and fast neutron fluence were input from a detailed physics analysis using the Monte Carlo N-Particle (MCNP) code. Individual heat rates for each non-fuel component were input as well. A steady-state thermal analysis was performed for each sensitivity calculation. ATR outer shim control cylinders and neck shim rods along with driver fuel power and fuel depletion were incorporated into the physics heat rate calculations. Surface-to-surface radiation heat transfer along with conduction heat transfer through the gas mixture of helium-neon (used for temperature control) was used in the sensitivity calculations.
C1 [Hawkes, Grant L.; Sterbentz, James W.; Pham, Binh T.] Idaho Natl Lab, Idaho Falls, ID 83402 USA.
RP Hawkes, GL (reprint author), Idaho Natl Lab, Idaho Falls, ID 83402 USA.
NR 13
TC 0
Z9 0
U1 1
U2 1
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5744-1
PY 2016
AR V06BT07A032
PG 10
WC Engineering, Mechanical
SC Engineering
GA BF0WU
UT WOS:000379703400032
ER
PT B
AU Martinez-Quiroga, V
Akbas, S
Aydogan, F
Ougouag, AM
Allison, C
AF Martinez-Quiroga, Victor
Akbas, Sabahattin
Aydogan, Fatih
Ougouag, Abderrafi M.
Allison, Chris
GP ASME
TI COUPLING OF RELAP5-SCDAP MOD4.0 AND NEUTRONIC CODES
SO PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS
AND EXPOSITION, 2015, VOL 6B
LA English
DT Proceedings Paper
CT ASME International Mechanical Engineering Congress and Exposition
(IMECE2015)
CY NOV 13-19, 2015
CL Houston, TX
SP ASME
DE Nuclear Engineering; Severe Accident; Thermal-Hydraulics; Neutronics;
Recriticality; Coupling
AB High-fidelity and accurate nuclear system codes play a key role in the design and analysis of complex nuclear power plants, which consist of multiple subsystems, such as the reactor core (and its fuel, burnable poisons, control elements, etc.), the reactor internal structures, the vessel, and the energy conversion subsystem and beyond to grid demand. Most commonly the interplay between these various subsystems is modeled using coupled codes, each of which represents one of the subsystems. And the most common direct coupling is that of thermal hydraulics and neutronics codes.
The subject of this paper is the coupling of codes that model not only thermal-hydraulics and neutronics, but also structural components damage. Furthermore; the neutronic component is not limited to the sole core solver. The coupled code system encompasses thermal-hydraulics, material performance of the fuel, neutronic solver, and neutronic data preparation. Thus, this paper presents a framework for coupling RELAP5/SCDAPSIM/MOD4.0 with a suite of neutron kinetics codes that includes NESTLE, DRAGON and a version of the ENDF library.
The version of the RELAP5/SCDAPSIM/MOD4.0 code used in this work is one developed by Innovate System Software (ISS) as part of the international SCDAP Development and Training Program (SDTP) for best-estimate analysis to model reactor transients including severe accident phenomena. This RELAP5/SCDAPSIM/MOD4.0 code version is also capable of predicting nuclear fuel performance. It uses nodal power distributions to calculate mechanical and thermal parameters such as heat-up, oxidation and meltdown of fuel rods and control rods, the ballooning and rupture of fuel rod cladding, the release of fission products from fuel rods, and the disintegration of fuel rods into porous debris and molten material. On the neutronics side, this work uses the NESTLE and DRAGON codes. NESTLE is a multi-dimensional static and kinetic neutronic code developed at North Carolina State University. It solves up to four energy groups neutron diffusion equations utilizing the Nodal Expansion Method (NEM) in Cartesian or hexagonal geometry. The DRAGON code, developed at Ecole Polytechnique de Montreal, performs lattice physics calculations based on the neutron transport equation and is capable of using very fine energy group structures.
In this work, we have developed a coupling approach to exchange data among the various modules. In the coupling process, the generated nuclear data (in fine multigroup energy structure) are collapsed down into two- or four-group energy structures for use in NESTLE. The neutron kinetics and thermal-hydraulics modules are coupled at each time step by using the cross-section data. The power distribution results of the neutronic calculations are transmitted to the thermal hydraulics code. The spatial distribution of coolant density and the fuel-moderator temperature, which result from the thermal hydraulic calculations, are transmitted back to the neutron kinetics codes and then the loop is closed using new neutronics results. Details of the actual data transfers will be described in the full length paper.
C1 [Martinez-Quiroga, Victor; Allison, Chris] Innovat Syst Software, Idaho Falls, ID USA.
[Akbas, Sabahattin; Aydogan, Fatih] Univ Idaho, Ctr Adv Studies, Idaho Falls, ID USA.
[Akbas, Sabahattin] Bozok Univ, Sci & Technol Applicat & Res Ctr, Yozgat, Turkey.
[Ougouag, Abderrafi M.] Idaho Natl Lab, Idaho Falls, ID USA.
RP Martinez-Quiroga, V (reprint author), Innovat Syst Software, Idaho Falls, ID USA.
NR 12
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5744-1
PY 2016
AR V06BT07A028
PG 8
WC Engineering, Mechanical
SC Engineering
GA BF0WU
UT WOS:000379703400028
ER
PT B
AU Mohamed, W
Roh, HS
AF Mohamed, Walid
Roh, Hee Seok
GP ASME
TI INFLUENCE OF MATERIALS PROPERTIES ON THE IRRADIATION BEHAVIOR OF U-10MO
MONOLITHIC MINI-PLATES
SO PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS
AND EXPOSITION, 2015, VOL 6B
LA English
DT Proceedings Paper
CT ASME International Mechanical Engineering Congress and Exposition
(IMECE2015)
CY NOV 13-19, 2015
CL Houston, TX
SP ASME
DE Monolithic Fuel Plate; U10Mo; Irradiation; Material Properties; Finite
Element Analysis
AB The DOE/NNSA Conversion [1] Program in the US aims to minimize the use of high enrichment uranium in civilian applications. This initiative is being approached by converting research and test reactors from the use of highly enriched uranium (HEU) to. low enrichment uranium (LEU, <20% 235U) with high density of uranium to achieve stable operation of converted reactors. Among variety of fuel materials investigated to serve in the conversion process, U-Mo based alloys have shown stable and acceptable swelling response under typical operation conditions of research and test reactors.
For the conversion of high performance research reactors, a large number of irradiation experiments were conducted to evaluate the mechanical behavior of the U-10Mo monolithic mini-plate; however, it is difficult to investigate all design and operation variables with potential impact on the irradiation behavior of the fuel experimentally.
Thus, this study performed Finite Element Analyses (FEA) on a 3-D monolithic plate by changing material properties of components. The material properties considered in this study included thermal, mechanical, and irradiation specific properties of the fuel, cladding, and liner. Among FEA results, higher Young's modulus of cladding material caused a significant decrease in all stress values in the three sections of the monolithic mini-plate. On the other hand, variation in the Young's modulus of Zr-liner showed the minimal effect on the overall mechanical response of the monolithic mini-plate. Results showed that increasing the yield stress of the cladding material directly caused a increase in the maximum stress observed in the cladding section by almost 40 %. Considering the thermal properties of materials in the monolithic plate, maximum and minimum stress in fuel foil were found to either increase or decrease in proportional with the coefficient of thermal expansion of the fuel material. However, variation in the coefficient of thermal expansion in the cladding section caused a remarkable increase in peak stresses in the fuel foil.
While mechanical and thermal properties of the foil, liner, and cladding sections are known, other irradiation-dependent properties such as coefficient of irradiation creep of U-10Mo are not firmly determined to date. The mechanical response of L1P756 is being simulated with different values of the coefficient of irradiation creep and the observed "bulging" in the plate will be compared to available post-irradiation measurements. Thus, it will be possible to determine an accurate value of irradiation creep coefficient of U-10Mo which in turn would allow predicting its mechanical behavior under different irradiation conditions.
C1 [Mohamed, Walid; Roh, Hee Seok] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Mohamed, W (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM wmohamed@anl.gov
NR 8
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5744-1
PY 2016
AR V06BT07A030
PG 14
WC Engineering, Mechanical
SC Engineering
GA BF0WU
UT WOS:000379703400030
ER
PT B
AU Odukomaiya, A
Momen, AM
Abu-Heiba, A
Gluesenkamp, K
Abdelaziz, O
Graham, S
AF Odukomaiya, Adewale
Momen, Ayyoub M.
Abu-Heiba, Ahmad
Gluesenkamp, Kyle
Abdelaziz, Omar
Graham, Samuel
GP ASME
TI TRANSIENT THERMOFLUIDS ANALYSIS OF A GROUND-LEVEL INTEGRATED DIVERSE
ENERGY STORAGE (GLIDES) SYSTEM
SO PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS
AND EXPOSITION, 2015, VOL 6B
LA English
DT Proceedings Paper
CT ASME International Mechanical Engineering Congress and Exposition
(IMECE2015)
CY NOV 13-19, 2015
CL Houston, TX
SP ASME
ID CONVECTION
AB In this work, a novel Ground-Level Integrated Diverse Energy Storage (GLIDES) system which can store energy via input of electricity or heat and deliver dispatchable electricity is presented [1]. The proposed system is low-cost and hybridizes compressed air and pumped-storage approaches that will allow for the off-peak storage of intermittent renewable energy for use during peak times. A detailed control-volume energy analysis of the system is carried out, yielding a set of coupled differential equations which are discretized using a finite difference scheme and used to model the transient response during charging and discharging. The energy analysis includes coupled heat transfer and pressure drop analysis used to predict system losses for more accurate round trip efficiency (RTE) calculations and specific energy density (ED) predictions. Preliminary analysis of the current prototype indicates an electric-to-electric RTEE of 66% (corresponding to shaft-to-shaft mechanical RTEM of 78%) and ED of 2.5 MJ/m(3) of air, given initial air volume and pressure of 2 m(3) and 70 bar. The electric power output ranges from a max of 2.5 kW to a min of 1.2 kW and the output current ranges from a max of approximately 21 amps to approximately 10 amps at 120 V, 60 Hz dispatchable electricity, over a period of approximately 50 minutes. Additionally, it is shown that heat transfer enhancement to the point of a 5-fold increase in air heat transfer rates results in a near 5% improvement in RTEE (70% considering all compOnent losses). Additional component efficiency improvements and efficiency gains due to system scale-up could see higher achievable RTEs.
C1 [Odukomaiya, Adewale; Graham, Samuel] Georgia Inst Technol, Atlanta, GA 30332 USA.
[Momen, Ayyoub M.; Abu-Heiba, Ahmad; Gluesenkamp, Kyle; Abdelaziz, Omar] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Odukomaiya, A (reprint author), Georgia Inst Technol, Atlanta, GA 30332 USA.
NR 22
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5744-1
PY 2016
AR V06BT07A038
PG 9
WC Engineering, Mechanical
SC Engineering
GA BF0WU
UT WOS:000379703400038
ER
PT B
AU Ozaltun, H
AF Ozaltun, Hakan
GP ASME
TI THE EFFECTS OF FABRICATION INDUCED RESIDUAL STRESS-STRAIN STATES ON THE
IRRADIATION PERFORMANCE OF MONOLITHIC MINI-PLATES
SO PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS
AND EXPOSITION, 2015, VOL 6B
LA English
DT Proceedings Paper
CT ASME International Mechanical Engineering Congress and Exposition
(IMECE2015)
CY NOV 13-19, 2015
CL Houston, TX
SP ASME
DE Monolithic Fuel Plates; Residual Stresses; Irradiation
ID MO ALLOY FUEL
AB Effects of initial stress-strain states on irradiation performance of monolithic fuel plates were studied. The monolithic fuel plates consist of a high density low enrichment U-Mo fuel that is encapsulated in an Aluminum cladding. Because the fabrication involves multiple stages, there are concerns, if the irradiation performance of the plates is affected by the pre-irradiation stress-strain states. To investigate these concerns, a representative plate was evaluated for distinct initial stress strain states. First, the foil preparation stage by co-rolling process was simulated. For this, a scaled version of the process was simulated to calculate the stress-strain profiles. These profiles were then used to incorporate initial states for the HIP process. Additional HIP simulations were also considered to evaluate the cases with stress-free foils prior HIP bonding. For the simulation of HIP process with initially stress-free co-rolled foils, several bonding temperatures were considered. Finally, the irradiation processes were simulated for all cases with distinct pre-irradiation stress-strain states. The stress-strain fields from the fabrication process were used to incorporate the initial states for the irradiation simulations. The resulted distortions, stress-strain fields and temperature profiles were extracted at the selected locations. Finally, a comparative evaluation was made to determine the sensitivity of the plate's performance to the pre-irradiation stress-strain states. The irradiation simulations have revealed that the fabrication stresses in the fuel would be relieved relatilvely fast in reactor. The fuel foil would be essentially stress-free during irradiation. The stresses however, would develop at the shutdown stage. For the cladding material, the stresses continue to increase and additional plastic strains are generated as a result of fuel swelling. The study indicated that the stress-strain fields of the plates during irradiation are not affected by the initial stress state of the plates.
C1 [Ozaltun, Hakan] Idaho Natl Lab, Idaho Falls, ID 83402 USA.
RP Ozaltun, H (reprint author), Idaho Natl Lab, Idaho Falls, ID 83402 USA.
EM hakan.ozaltun@inl.gov
NR 15
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5744-1
PY 2016
AR V06BT07A029
PG 10
WC Engineering, Mechanical
SC Engineering
GA BF0WU
UT WOS:000379703400029
ER
PT B
AU Duignan, MR
Reigel, MM
Imrich, KJ
Restivo, ML
Fowley, MD
AF Duignan, Mark R.
Reigel, Marissa M.
Imrich, Kenneth J.
Restivo, Michael L.
Fowley, Mark D.
GP ASME
TI WEAR LOCATIONS IN STAINLESS STEEL PIPE FITTINGS FROM THE TURBULENT FLOW
OF A LIQUID-SOLID SLURRY
SO PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS
AND EXPOSITION, 2015, VOL 7A
LA English
DT Proceedings Paper
CT ASME International Mechanical Engineering Congress and Exposition
(IMECE2015)
CY NOV 13-19, 2015
CL Houston, TX
SP ASME
ID EROSION PREDICTION; VELOCITY; WATER; BEND; PARTICLES; BEHAVIOR; ANGLE
AB The United States Depallnlent of Energy (DOE) is building a Waste Treatment Plant (WTP) at the DOE Hanford Site in the state of Washington to process stored radioactive wastes for long-term storage and disposal. The Savannah River National Laboratory (SRNL) is helping resolve technical concerns with the WTP, which are related to piping erosion/corrosion (wear). SRNL is assisting in the design of a flow loop to obtain long term wear rates that will use prototypic simulant chemistry, operating conditions, and materials. The challenge is to accurately measure slurry wear to a pipe wall thickness tolerance of 47 microns/year anywhere in the test flow loop in a timely manner. A first step in such a test is to secure knowledge of high wear locations so that highly sensitive measurement techniques can be incorporated and properly located. Literature exists to help locate such wear locations in pipe and pipe fittings but most of the information deals with slurry flows that have significantly different velocities, different flows steams, e.g., steam, gas-liquid-solids, or made from different materials. To better estimate these high wear rate locations under the WTP conditions a separate pre-test flow loop was constructed and operated. This loop is referred to as the paint loop because it was internally coated with paint, which wears faster than the steel pipe, when a solids-laden slurry is circulated. The test flow conditions were a slurry velocity of 4 m/s in a 0.0762 -m (3-inch) Schedule 40 pipe system, resulting in Reynolds number just above 3 x 10(5), i.e., turbulent flow at a temperature of 25 degrees C. The slurry was a mixture of water and sand, d(50) similar to 199 microns. This paper describes the test paint loop, its operation, and indicates the. high slurry wear locations, as well as a comparison of those locations to existing literature sources.
C1 [Duignan, Mark R.; Reigel, Marissa M.; Imrich, Kenneth J.; Restivo, Michael L.; Fowley, Mark D.] Savannah River Nucl Solut, Savannah River Natl Lab, Aiken, SC 29801 USA.
RP Duignan, MR (reprint author), Savannah River Nucl Solut, Savannah River Natl Lab, Aiken, SC 29801 USA.
NR 44
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5746-5
PY 2016
AR V07AT09A009
PG 11
WC Engineering, Mechanical
SC Engineering
GA BF0WT
UT WOS:000379703300009
ER
PT J
AU Kim, B
Chiu, CY
Kang, SJ
Kim, KS
Lee, GH
Chen, Z
Ahn, S
Yager, KG
Ciston, J
Nuckolls, C
Schiros, T
AF Kim, B.
Chiu, C. -Y.
Kang, S. J.
Kim, K. S.
Lee, G. -H.
Chen, Z.
Ahn, S.
Yager, K. G.
Ciston, J.
Nuckolls, C.
Schiros, T.
TI Vertically grown nanowire crystals of dibenzotetrathienocoronene (DBTTC)
on large-area graphene
SO RSC ADVANCES
LA English
DT Article
ID EPITAXIAL-GROWTH; ELECTRONIC-STRUCTURE; MONOLAYER GRAPHENE; SURFACE;
HETEROSTRUCTURES; ORIENTATION; TEMPLATE; FILMS
AB We demonstrate controlled growth of vertical organic crystal nanowires on single layer graphene. Using Scanning Electron Microscopy (SEM), high-resolution transmission electron microscopy (TEM), and Grazing Incidence X-ray Diffraction (GIXD), we probe the microstructure and morphology of dibenzotetrathienocoronene (DBTTC) nanowires epitaxially grown on graphene. The investigation is performed at both the ensemble and single nanowire level, and as a function of growth parameters, providing insight of and control over the formation mechanism. The size, density and height of the nanowires can be tuned via growth conditions, opening new avenues for tailoring three-dimensional (3-D) nanostructured architectures for organic electronics with improved functional performance.
C1 [Kim, B.] New Jersey City Univ, Dept Chem, Jersey City, NJ 07305 USA.
[Chiu, C. -Y.] PPG Ind Inc, Monroeville Chem Ctr, Monroeville, PA 15146 USA.
[Kang, S. J.] Ulsan Natl Inst Sci & Technol, Sch Energy & Chem Engn, Ulsan 608798, South Korea.
[Kim, K. S.] Sejong Univ, Dept Phys, Seoul 05006, South Korea.
[Kim, K. S.] Sejong Univ, Graphene Res Inst, Seoul 05006, South Korea.
[Lee, G. -H.] Yonsei Univ, Dept Mat Sci & Engn, Seoul 03722, South Korea.
[Chen, Z.] Emory Univ, Dept Chem, 1515 Pierce Dr, Atlanta, GA 30322 USA.
[Ahn, S.] Korea Inst Sci & Technol, Inst Adv Composite Mat, Wonju 565905, South Korea.
[Yager, K. G.] Brookhaven Natl Lab, Ctr Funct Mat, Upton, NY 11973 USA.
[Ciston, J.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Nuckolls, C.] Columbia Univ, Dept Chem, New York, NY 10027 USA.
[Schiros, T.] Columbia Univ, Mat Res Sci & Engn MRSEC, New York, NY 10027 USA.
[Schiros, T.] SUNY Fashion Inst Technol, New York, NY 10001 USA.
RP Schiros, T (reprint author), Columbia Univ, Mat Res Sci & Engn MRSEC, New York, NY 10027 USA.; Schiros, T (reprint author), SUNY Fashion Inst Technol, New York, NY 10001 USA.
EM ts2526@columbia.edu
RI Kim, Keun Soo/C-1601-2013; Kim, Kwang/C-7538-2012
OI Kim, Kwang/0000-0002-6929-5359
FU NSF MRSEC program through Columbia in the Center for Precision Assembly
of Superstratic and Superatomic Solids [DMR-1420634]; U.S. Department of
Energy, Office of Basic Energy Sciences [DE-SC0012704]; Brookhaven
National Laboratory at the Center for Functional Nanomaterials
[DE-SC0012704]; Basic Science Research Program through NRF funded by the
Ministry of Science, ICT Future [2014R1A1A1004632]; Human Resources
Program in Energy Technology of the Korea Institute of Energy Technology
Evaluation and Planning (KETEP); Ministry of Trade, Industry Energy
[20154010200810]; Basic Science Research Program through the National
Research Foundation of Korea (NRF) - Ministry of Science, ICT and Future
Planning [2014R1A1A1006414]; Priority Research Centers Program by the
National Research Foundation of Korea (NRF) - Ministry of Education,
Science and Technology [2010-0020207]
FX Research supported as part of the NSF MRSEC program through Columbia in
the Center for Precision Assembly of Superstratic and Superatomic Solids
(DMR-1420634); this includes. GIXD measurements performed on beamline
11-3 at the Stanford Synchrotron Radiation Laboratory (SSRL), a national
user facility operated by Stanford University on behalf of the U.S.
Department of Energy, Office of Basic Energy Sciences, and beamline X-9
at the National Synchrotron Light Source (NSLS), Brookhaven National
Laboratory, which is supported by the U.S. Department of Energy, Office
of Basic Energy Sciences, under Contract No. DE-SC0012704. TEM
measurements were also performed at Brookhaven National Laboratory at
the Center for Functional Nanomaterials, supported under contract number
DE-SC0012704. G. H. L was supported by the Basic Science Research
Program (2014R1A1A1004632) through NRF funded by the Ministry of
Science, ICT & Future and the Human Resources Program in Energy
Technology of the Korea Institute of Energy Technology Evaluation and
Planning (KETEP), granted financial resource from the Ministry of Trade,
Industry & Energy (No. 20154010200810). K. S. Kim was supported by the
Basic Science Research Program through the National Research Foundation
of Korea (NRF; grant number: 2014R1A1A1006414) funded by the Ministry of
Science, ICT and Future Planning and Priority Research Centers Program
(2010-0020207) by the National Research Foundation of Korea (NRF) funded
by the Ministry of Education, Science and Technology.
NR 29
TC 0
Z9 0
U1 5
U2 10
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2016
VL 6
IS 64
BP 59582
EP 59589
DI 10.1039/c6ra04742d
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA DQ6XQ
UT WOS:000379350100088
ER
PT J
AU Liu, XJ
Wang, CZ
AF Liu, Xiaojie
Wang, Cai-Zhuang
TI Growth mode and structures of magnetic Mn clusters on graphene
SO RSC ADVANCES
LA English
DT Article
ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; ATOMIC LAYERS; MORPHOLOGY;
METALS
AB We present a systematic study of Mn clusters on graphene by first-principles calculations. We show that the growth of Mn on graphene follows a three-dimensional (3D) mode. Both adsorption and attachment energies show that (Mn)(3) and (Mn)(6) on graphene are energetically favorable in the size range (Mn)(1-7). Moreover, the larger formation energy for Mn clusters on graphene implies that the incoming Mn atoms are likely to nucleate and grow into bigger and bigger Mn clusters on graphene. The magnetic moments of (Mn)(1,5,7) on graphene are enhanced by 11%, 186%, and 26% from their values at free-standing clusters, respectively. By contrast, the net magnetic moment of (Mn)(2,3,4,6) on graphene is reduced from that of the corresponding free-standing clusters. The origin of the magnetic moment changes can be attributed to the charge transfer within the Mn clusters and between the clusters and graphene upon adsorption.
C1 [Liu, Xiaojie] Northeast Normal Univ, Sch Phys, Ctr Quantum Sci, Changchun 130117, Peoples R China.
[Wang, Cai-Zhuang] Iowa State Univ, US Dept Energy, Ames Lab, Dept Phys & Astron, Ames, IA 50011 USA.
RP Liu, XJ (reprint author), Northeast Normal Univ, Sch Phys, Ctr Quantum Sci, Changchun 130117, Peoples R China.
EM liuxj100@nenu.edu.cn
FU US Department of Energy, Office of Science, Basic Energy Sciences,
Division of Materials Science and Engineering [DE-AC02-07CH11358];
National Natural Science Foundation of China [11574044]; Science and
Technology Department of Jilin Province [20150520088JH]
FX Work at Ames Laboratory was supported by the US Department of Energy,
Office of Science, Basic Energy Sciences, Division of Materials Science
and Engineering, including a grant of computer time at the National
Energy Research Scientific Computing Centre (NERSC) in Berkeley, CA
under Contract No. DE-AC02-07CH11358. Xiaojie Liu also acknowledges the
support by the National Natural Science Foundation of China under Grant
No. 11574044 and Science and Technology Department of Jilin Province
under Grant No. 20150520088JH.The calculations were also performed on
TianHe-1(A) at National Supercomputer Center in Tianjin.
NR 41
TC 0
Z9 0
U1 13
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 2016
VL 6
IS 69
BP 64595
EP 64604
DI 10.1039/c6ra14763a
PG 10
WC Chemistry, Multidisciplinary
SC Chemistry
GA DQ8ER
UT WOS:000379442400051
ER
PT J
AU Geng, Y
Huang, HL
Chen, XL
Ding, HY
Yang, SJ
Liu, FD
Shan, WP
AF Geng, Yang
Huang, Haili
Chen, Xiaoling
Ding, Hongyu
Yang, Shijian
Liu, Fudong
Shan, Wenpo
TI The effect of Ce on a high-efficiency CeO2/WO3-TiO2 catalyst for the
selective catalytic reduction of NOx with NH3
SO RSC ADVANCES
LA English
DT Article
ID MIXED-OXIDE CATALYST; EXPERIMENTAL MICROKINETIC APPROACH;
LOW-TEMPERATURE; NITRIC-OXIDE; TIO2-SUPPORTED V2O5-WO3; CEO2-WO3
CATALYSTS; SUPERIOR CATALYST; DE-NOX; SCR; AMMONIA
AB In this study, W0.1TiOx and CeaW0.1TiOx ( a = 0.1, 0.2, 0.5, 1.0) catalysts were prepared by a novel stepwise precipitation approach. The CeaW0.1TiOx catalysts showed much better activities and N-2 selectivity than W0.1TiOx. Particularly, the Ce0.2W0.1TiOx (CeO2/WO3-TiO2) catalyst showed excellent catalytic performance in a broad temperature range from 200 to 450 degrees C, under a high GHSV condition of 400 000 h(-1). Characterizations revealed that the novel preparation approach can achieve highly dispersed Ce species on the surface of the catalyst, and the Ce species could induce enhanced charge imbalance, superior redox functions, and outstanding adsorption and activation properties for NOx and NH3, which is the main reason for the highly efficient NOx abatement capability of the CeO2/WO3-TiO2 catalyst.
C1 [Geng, Yang; Huang, Haili; Chen, Xiaoling; Ding, Hongyu; Yang, Shijian; Shan, Wenpo] Nanjing Univ Sci & Technol, Jiangsu Key Lab Chem Pollut Control & Resources R, Sch Environm & Biol Engn, Nanjing 210094, Jiangsu, Peoples R China.
[Liu, Fudong] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Liu, Fudong] BASF Corp, 25 Middlesex Essex Turnpike, Iselin, NJ 08830 USA.
RP Shan, WP (reprint author), Nanjing Univ Sci & Technol, Jiangsu Key Lab Chem Pollut Control & Resources R, Sch Environm & Biol Engn, Nanjing 210094, Jiangsu, Peoples R China.
EM wenposhan@hotmail.com
RI 南京理工大学, 环境与生物工程学院/N-7361-2016
FU National Natural Science Foundation of China [51308296]; Fundamental
Research Funds for the Central Universities [30920140111012]; Qing Lan
Project of Jiangsu Province, China
FX We gratefully acknowledge the Financial supports from the National
Natural Science Foundation of China (51308296), the Fundamental Research
Funds for the Central Universities (30920140111012) and the Qing Lan
Project of Jiangsu Province, China.
NR 46
TC 0
Z9 0
U1 11
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 2016
VL 6
IS 69
BP 64803
EP 64810
DI 10.1039/c6ra06392f
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA DQ8ER
UT WOS:000379442400069
ER
PT J
AU Zeng, XF
Borole, AP
Pavlostathis, SG
AF Zeng, Xiaofei
Borole, Abhijeet P.
Pavlostathis, Spyros G.
TI Performance evaluation of a continuous-flow bioanode microbial
electrolysis cell fed with furanic and phenolic compounds
SO RSC ADVANCES
LA English
DT Article
ID HYDROGEN GAS-PRODUCTION; BIOELECTROCHEMICAL SYSTEMS;
ACETOBACTERIUM-WOODII; EUBACTERIUM-LIMOSUM; WASTE-WATER; FUEL-CELLS;
BACTERIA; BIOREFINERY; ELECTRICITY; COMMUNITIES
AB Furanic and phenolic compounds, formed during the pretreatment of lignocellulosic biomass, are problematic byproducts in down-stream biofuel processes. A microbial electrolysis cell (MEC) is an alternative technology to handle furanic and phenolic compounds and produce renewable hydrogen (H-2). The present study evaluated the performance of a continuous-flow bioanode MEC fed with furanic and phenolic compounds at different operating conditions. All hydraulic retention times (HRTs) tested (6-24 h) resulted in complete transformation of the parent compounds at an organic loading rate (OLR) of 0.2 g L-1 per d and applied voltage of 0.6 V. Increasing the OLR to 0.8 g L-1 per d at an HRT of 6 h resulted in an increased H-2 production rate from 0.07 to 0.14 L L-anode(-1) per d, but an OLR of 3.2 g L-1 per d did not lead to a higher H-2 production rate. Significant methane production was observed at an OLR of 3.2 g L-1 per d. The lack of increased H-2 production at the highest OLR tested was due to a limited rate of exoelectrogenesis but not fermentation, evidenced by the accumulation of high acetate levels and higher growth of fermenters and methanogens over exoelectrogens. Increasing applied voltage from 0.6 to 1.0 V at an OLR of 3.2 g L-1 per d and HRT of 6 h enhanced exoelectrogenesis and resulted in a 1.7-fold increase of H-2 production. Under all operating conditions, more than 90% of the biomass was biofilm-associated. The present study provides new insights into the performance of continuous-flow bioelectrochemical systems fed with complex waste streams resulting from the pretreatment of lignocellulosic biomass.
C1 [Zeng, Xiaofei; Pavlostathis, Spyros G.] Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA.
[Borole, Abhijeet P.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
[Borole, Abhijeet P.] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Educ, Knoxville, TN 37996 USA.
RP Pavlostathis, SG (reprint author), Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA.
EM spyros.pavlostathis@ce.gatech.edu
OI Borole, Abhijeet/0000-0001-8423-811X
FU U.S. Department of Energy, BioEnergy Technologies Office under the
Carbon, Hydrogen and Separations Efficiency (CHASE) in Bio-Oil
Conversion Pathways program [DE-FOA-0000812]; U.S. Department of Energy
[DEAC05-00OR22725]
FX We acknowledge funding for this work from the U.S. Department of Energy,
BioEnergy Technologies Office under the Carbon, Hydrogen and Separations
Efficiency (CHASE) in Bio-Oil Conversion Pathways program,
DE-FOA-0000812. The manuscript has been coauthored by UT-Battelle, LLC,
under Contract DEAC05-00OR22725 with the U.S. Department of Energy.
NR 35
TC 2
Z9 2
U1 8
U2 10
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2016
VL 6
IS 70
BP 65563
EP 65571
DI 10.1039/c6ra13735k
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA DR0DI
UT WOS:000379577800032
ER
PT J
AU Nayak, S
Zhang, HH
Liu, XP
Feng, SR
Palo, P
Nilsen-Hamilton, M
Akinc, M
Mallapragada, S
AF Nayak, Srikanth
Zhang, Honghu
Liu, Xunpei
Feng, Shuren
Palo, Pierre
Nilsen-Hamilton, Marit
Akinc, Mufit
Mallapragada, Surya
TI Protein patterns template arrays of magnetic nanoparticles
SO RSC ADVANCES
LA English
DT Article
ID MAGNETOTACTIC BACTERIA; SOFT LITHOGRAPHY; NANOWIRES; MMS6; NANOCRYSTALS;
PRINCIPLES; DEPOSITION; GROWTH; SHAPE
AB Controlling the morphology of magnetic nanoparticles and their spatial arrangement is crucial for manipulating their functional properties. The commonly available inorganic processes for the synthesis of uniform magnetic nanoparticles typically require extreme reaction conditions such as high temperatures or harsh reagents, rendering them unsuitable for making functionalized magnetic nanoparticles with tunable properties controlled by biomolecules. Biomimetic procedures, inspired by the production of uniform magnetite and greigite crystals in magnetotactic bacteria, provide an alternative method, which can allow synthesis and spatial arrangement under ambient conditions. Mms6, an amphiphilic protein found in magnetosome membranes in Magnetospirillum magneticum strain AMB-1, can control the morphology of magnetite nanoparticles, both in vivo and in vitro. In this work, we have demonstrated the patterning of Mms6 and the formation of patterns of magnetic nanoparticles on selective regions of surfaces by directed self-assembly and control over surface chemistry, enabling facile spatial control in applications such as high density data storage and biosensors. Using microcontact printing we have obtained various patterns of 1-octadecane thiol (ODT) and protein resistant poly(ethylene glycol) methyl ether thiol (PEG) layers on gold surfaces. Atomic force microscopy (AFM) and fluorescence microscopy studies show the patterning of Mms6 on the ODT patterns and not on the PEG regions. Magnetic nanoparticles were grown on these surfaces by a co-precipitation method over immobilized protein. AFM and scanning electron microscopy (SEM) results show the localized growth of magnetic nanocrystals selectively on the Mms6 template, which in turn was determined by the ODT regions. Magnetic force measurements were conducted to assess the localization of magnetic nanoparticles on the pattern.
C1 [Nayak, Srikanth; Zhang, Honghu; Liu, Xunpei; Feng, Shuren; Palo, Pierre; Nilsen-Hamilton, Marit; Akinc, Mufit; Mallapragada, Surya] Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA.
[Nayak, Srikanth; Liu, Xunpei; Mallapragada, Surya] Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA.
[Zhang, Honghu; Akinc, Mufit] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
[Feng, Shuren; Palo, Pierre; Nilsen-Hamilton, Marit] Iowa State Univ, Roy J Carver Dept Biochem Biophys & Mol Biol, Ames, IA 50011 USA.
RP Mallapragada, S (reprint author), Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA.; Mallapragada, S (reprint author), Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA.
EM suryakm@iastate.edu
FU U.S. Department of Energy, Office of the Basic Energy Sciences, Division
of Materials Sciences and Engineering; U.S. Department of Energy
[DE-AC02-06CH11357]; U.S. Department of Energy by Iowa State University
[DE-AC02-07CH11358]
FX We thank Dapeng Jing and Warren Straszheim of the Materials Analysis and
Research Laboratory, Iowa State University, for helping us collect the
XPS data and SEM data respectively, and Zach Njus of the Department of
Electrical and Computer Engineering, Iowa State University for helping
in making the PDMS stamps. Fluorescence microscopy and AFM were done at
Roy J. Carver Laboratory for Ultrahigh Resolution Biological Microscopy,
Iowa State University. Research at Ames Laboratory was supported by the
U.S. Department of Energy, Office of the Basic Energy Sciences, Division
of Materials Sciences and Engineering. Ames Laboratory is operated for
the U.S. Department of Energy by Iowa State University under Contract
Number DE-AC02-07CH11358. The use of Magnetic Force Microscopy at the
Argonne National Laboratory was supported by the U.S. Department of
Energy under Contract Number DE-AC02-06CH11357.
NR 34
TC 0
Z9 0
U1 7
U2 11
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 2016
VL 6
IS 62
BP S7048
EP S7056
DI 10.1039/c6ra07662a
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA DP8NP
UT WOS:000378755200042
ER
PT J
AU Parnell, SR
Washington, AL
Parnell, AJ
Walsh, A
Dalgliesh, RM
Li, F
Hamilton, WA
Prevost, S
Fairclough, JPA
Pynn, R
AF Parnell, S. R.
Washington, A. L.
Parnell, A. J.
Walsh, A.
Dalgliesh, R. M.
Li, F.
Hamilton, W. A.
Prevost, S.
Fairclough, J. P. A.
Pynn, R.
TI Porosity of silica Stober particles determined by spin-echo small angle
neutron scattering
SO SOFT MATTER
LA English
DT Article
ID X-RAY-SCATTERING; COLLOIDS; GROWTH; SIZE; POLYDISPERSITY; SESANS
AB Stober silica particles are used in a diverse range of applications. Despite their widespread industrial and scientific uses, information on the internal structure of the particles is non-trivial to obtain and is not often reported. In this work we have used spin-echo small angle neutron scattering (SESANS) in conjunction with ultra small angle X-ray scattering (USAXS) and pycnometry to study an aqueous dispersion of Stober particles. Our results are in agreement with models which propose that Stober particles have a porous core, with a significant fraction of the pores inaccessible to solvent. For samples prepared from the same master sample in a range of H2O: D2O ratio solutions we were able to model the SESANS results for the solution series assuming monodisperse, smooth surfaced spheres of radius 83 nm with an internal open pore volume fraction of 32% and a closed pore fraction of 10%. Our results are consistent with USAXS measurements. The protocol developed and discussed here shows that the SESANS technique is a powerful way to investigate particles much larger than those studied using conventional small angle scattering methods.
C1 [Parnell, S. R.] Delft Univ Technol, Fac Sci Appl, Mekelweg 15, NL-2629 JB Delft, Netherlands.
[Parnell, S. R.; Li, F.; Pynn, R.] Indiana Univ, Ctr Explorat Energy & Matter, Bloomington, IN 47408 USA.
[Washington, A. L.; Parnell, A. J.] Univ Sheffield, Dept Phys & Astron, Sheffield S3 7RH, S Yorkshire, England.
[Washington, A. L.; Fairclough, J. P. A.] Univ Sheffield, Dept Mech Engn, Sheffield S1 3DJ, S Yorkshire, England.
[Walsh, A.] Univ Sheffield, Dept Chem, Sheffield S3 7HF, S Yorkshire, England.
[Dalgliesh, R. M.] Rutherford Appleton Lab, ISIS, Didcot OX11 0QX, Oxon, England.
[Hamilton, W. A.; Pynn, R.] Oak Ridge Natl Lab, Neutron Sci Directorate, Oak Ridge, TN 37831 USA.
[Prevost, S.] European Synchrotron Radiat Facil, Beamline ID02, BP 220, F-38043 Grenoble, France.
RP Parnell, SR (reprint author), Delft Univ Technol, Fac Sci Appl, Mekelweg 15, NL-2629 JB Delft, Netherlands.; Parnell, SR (reprint author), Indiana Univ, Ctr Explorat Energy & Matter, Bloomington, IN 47408 USA.
EM S.R.Parnell@tudelft.nl
RI Parnell, Andrew/F-8969-2011; Prevost, Sylvain/A-8740-2012;
OI Parnell, Andrew/0000-0001-8606-8644; Prevost,
Sylvain/0000-0002-6008-1987; Li, Fankang/0000-0001-8859-0102
FU National Science Foundation [DMR-0220560, DMR-0320627]; 21st Century
Science and Technology fund of Indiana; Indiana University; Department
of Defence; Oak Ridge National Laboratory; ISIS facility (STFC) in the
UK
FX Construction of LENS was supported by the National Science Foundation
grants DMR-0220560 and DMR-0320627, the 21st Century Science and
Technology fund of Indiana, Indiana University, and the Department of
Defence. One of us, Steven Parnell acknowledges funding from Oak Ridge
National Laboratory. We thank the ISIS facility (STFC) in the UK for the
award of beam time.
NR 32
TC 1
Z9 1
U1 7
U2 21
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 2016
VL 12
IS 21
BP 4709
EP 4714
DI 10.1039/c5sm02772a
PG 6
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA DR1PG
UT WOS:000379676800003
PM 27021920
ER
PT J
AU Helfferich, J
Lyubimov, I
Reid, D
de Pablo, JJ
AF Helfferich, Julian
Lyubimov, Ivan
Reid, Daniel
de Pablo, Juan J.
TI Inherent structure energy is a good indicator of molecular mobility in
glasses
SO SOFT MATTER
LA English
DT Article
ID VAPOR-DEPOSITION; STABLE GLASSES; ULTRASTABLE GLASSES; INDOMETHACIN;
RELAXATION; TRANSITION; LIQUIDS
AB Glasses produced via physical vapor deposition can display greater kinetic stability and lower enthalpy than glasses prepared by liquid cooling. While the reduced enthalpy has often been used as a measure of the stability, it is not obvious whether dynamic measures of stability provide the same view. Here, we study dynamics in vapor-deposited and liquid-cooled glass films using molecular simulations of a bead-spring polymer model as well as a Lennard-Jones binary mixture in two and three dimensions. We confirm that the dynamics in vapor-deposited glasses is indeed slower than in ordinary glasses. We further show that the inherent structure energy is a good reporter of local dynamics, and that aged systems and glasses prepared by cooling at progressively slower rates exhibit the same behavior as vapor-deposited materials when they both have the same inherent structure energy. These findings suggest that the stability inferred from measurements of the energy is also manifested in dynamic observables, and they strengthen the view that vapor deposition processes provide an effective strategy for creation of stable glasses.
C1 [Helfferich, Julian; Lyubimov, Ivan; Reid, Daniel; de Pablo, Juan J.] Univ Chicago, Inst Mol Engn, 5640 South Ellis Ave, Chicago, IL 60637 USA.
[de Pablo, Juan J.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Helfferich, J; de Pablo, JJ (reprint author), Univ Chicago, Inst Mol Engn, 5640 South Ellis Ave, Chicago, IL 60637 USA.; de Pablo, JJ (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM jhelfferich@uchicago.edu
FU DFG [HE 7429/1]; National Science Foundation [DMR-1234320]
FX We gratefully acknowledge insightful and inspiring discussions with Mark
Ediger, Jack Douglas, Francis Starr, and Wengang Zhang. JH acknowledges
the financial support from the DFG research fellowship program, grant
No. HE 7429/1. This work is supported by the National Science Foundation
under grant DMR-1234320.
NR 36
TC 2
Z9 2
U1 5
U2 5
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 2016
VL 12
IS 27
BP 5898
EP 5904
DI 10.1039/c6sm00810k
PG 7
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA DQ8WO
UT WOS:000379492500007
PM 27334679
ER
PT S
AU Baba, JS
Koju, V
John, D
AF Baba, J. S.
Koju, V.
John, D.
BE Brown, TG
Cogswell, CJ
Wilson, T
TI The impact of absorption coefficient on polarimetric determination of
Berry phase based depth resolved characterization of biomedical
scattering samples: a polarized Monte Carlo investigation
SO THREE-DIMENSIONAL AND MULTIDIMENSIONAL MICROSCOPY: IMAGE ACQUISITION AND
PROCESSING XXIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Three-Dimensional and Multidimensional Microscopy - Image
Acquisition and Processing XXIII
CY FEB 15-17, 2016
CL San Francisco, CA
SP SPIE
DE Berry phase; geometric phase; polarization sensitive Monte Carlo; depth
resolved imaging; scattering sample imaging; modeling anisotropic
scatter; optical imaging; polarimetry; polarimetric imaging;
backscattered Mueller matrix
ID ANGULAR-MOMENTUM; LIGHT TRANSPORT; MUELLER MATRIX; MEDIA; PATTERNS;
BACKSCATTERING; PROGRAMS
AB The modulation of the state of polarization of photons due to scatter generates associated geometric phase that is being investigated as a means for decreasing the degree of uncertainty in back-projecting the paths traversed by photons detected in backscattered geometry. In our previous work, we established that polarimetrically detected Berry phase correlates with the mean photon penetration depth of the backscattered photons collected for image formation. In this work, we report on the impact of state-of-linear-polarization (SOLP) filtering on both the magnitude and population distributions of image forming detected photons as a function of the absorption coefficient of the scattering sample. The results, based on Berry phase tracking implemented Polarized Monte Carlo Code, indicate that sample absorption plays a significant role in the mean depth attained by the image forming backscattered detected photons.
C1 [Baba, J. S.] Oak Ridge Natl Lab, Elect & Elect Syst Res Div, 1 Bethel Valley Rd,POB 2008,MS 6006, 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 JICS, 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, Computat Sci Program, Coll Basic & Appl Sci, 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.; Baba, JS (reprint author), Univ Tennessee, Inst Biomed Engn IBME, Knoxville, TN 37996 USA.
EM babajs@ornl.gov
NR 16
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 978-1-62841-947-4
J9 PROC SPIE
PY 2016
VL 9713
AR 97130J
DI 10.1117/12.2213985
PG 7
WC Microscopy; Optics
SC Microscopy; Optics
GA BF0RU
UT WOS:000379357200018
ER
PT S
AU Wernsing, KA
Field, JJ
Domingue, SR
Allende-Motz, AM
DeLuca, KF
Levi, DH
DeLuca, JG
Young, MD
Squier, JA
Bartels, RA
AF Wernsing, Keith A.
Field, Jeffrey J.
Domingue, Scott R.
Allende-Motz, Alyssa M.
DeLuca, Keith F.
Levi, Dean H.
DeLuca, Jennifer G.
Young, Michael D.
Squier, Jeff A.
Bartels, Randy A.
BE Brown, TG
Cogswell, CJ
Wilson, T
TI Point spread function engineering with multiphoton SPIFI
SO THREE-DIMENSIONAL AND MULTIDIMENSIONAL MICROSCOPY: IMAGE ACQUISITION AND
PROCESSING XXIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Three-Dimensional and Multidimensional Microscopy - Image
Acquisition and Processing XXIII
CY FEB 15-17, 2016
CL San Francisco, CA
SP SPIE
DE multiphoton; microscopy; super-resolution; SPIFI
ID STRUCTURED-ILLUMINATION MICROSCOPY; RESOLUTION
AB MultiPhoton SPatIal Frequency modulated Imaging (MP-SPIFI) has recently demonstrated the ability to simultaneously obtain super-resolved images in both coherent and incoherent scattering processes - namely, second harmonic generation and two-photon fluorescence, respectively. 1 In our previous analysis, we considered image formation produced by the zero and first diffracted orders from the SPIFI modulator. However, the modulator is a binary amplitude mask, and therefore produces multiple diffracted orders. In this work, we extend our analysis to image formation in the presence of higher diffracted orders. We find that tuning the mask duty cycle offers a measure of control over the shape of super-resolved point spread functions in an MP-SPIFI microscope.
C1 [Wernsing, Keith A.; Field, Jeffrey J.; Domingue, Scott R.; Bartels, Randy A.] Colorado State Univ, Dept Elect & Comp Engn, Ft Collins, CO 80523 USA.
[Field, Jeffrey J.; DeLuca, Keith F.; DeLuca, Jennifer G.] Colorado State Univ, Dept Biochem & Mol Biol, Ft Collins, CO 80523 USA.
[Field, Jeffrey J.; DeLuca, Jennifer G.] Colorado State Univ, Microscopy Core Facil, Ft Collins, CO 80523 USA.
[Field, Jeffrey J.; DeLuca, Jennifer G.; Bartels, Randy A.] Colorado State Univ, Inst Genome Architecture & Funct, Ft Collins, CO 80523 USA.
[Allende-Motz, Alyssa M.; Young, Michael D.; Squier, Jeff A.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA.
[Allende-Motz, Alyssa M.; Levi, Dean H.] Natl Renewable Energy Lab, Golden, CO USA.
[Bartels, Randy A.] Colorado State Univ, Sch Biomed Engn, Ft Collins, CO 80523 USA.
RP Wernsing, KA; Field, JJ; Bartels, RA (reprint author), Colorado State Univ, Dept Elect & Comp Engn, Ft Collins, CO 80523 USA.; Field, JJ (reprint author), Colorado State Univ, Dept Biochem & Mol Biol, Ft Collins, CO 80523 USA.; Field, JJ (reprint author), Colorado State Univ, Microscopy Core Facil, Ft Collins, CO 80523 USA.; Field, JJ; Bartels, RA (reprint author), Colorado State Univ, Inst Genome Architecture & Funct, Ft Collins, CO 80523 USA.
EM keith.wernsing@colostate.edu; jjfield@engr.colostate.edu;
randy.bartels@colostate.edu
NR 13
TC 1
Z9 1
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 978-1-62841-947-4
J9 PROC SPIE
PY 2016
VL 9713
AR 971304
DI 10.1117/12.2213090
PG 10
WC Microscopy; Optics
SC Microscopy; Optics
GA BF0RU
UT WOS:000379357200003
ER
PT S
AU Serkland, DK
Geib, KM
Peake, GM
Keeler, GA
Shaw, MJ
Baker, MS
Okandan, M
AF Serkland, Darwin K.
Geib, Kent M.
Peake, Gregory M.
Keeler, Gordon A.
Shaw, Michael J.
Baker, Michael S.
Okandan, Murat
BE Choquette, KD
Guenter, JK
TI VCSELs for interferometric readout of MEMS sensors
SO VERTICAL-CAVITY SURFACE-EMITTING LASERS XX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Vertical-Cavity Surface-Emitting Lasers XX
CY FEB 17-18, 2016
CL San Francisco, CA
SP SPIE
DE VCSEL; MEMS; sensor; interferometer; linewidth; frequency noise; MEMS
sensor; optical MEMS
AB We report on the development of single-frequency VCSELs (vertical-cavity surface-emitting lasers) for sensing the position of a moving MEMS (micro-electro-mechanical system) object with resolution much less than 1nm. Position measurement is the basis of many different types of MEMS sensors, including accelerometers, gyroscopes, and pressure sensors. Typically, by switching from a traditional capacitive electronic readout to an interferometric optical readout, the resolution can be improved by an order of magnitude with a corresponding improvement in MEMS sensor performance. Because the VCSEL wavelength determines the scale of the position measurement, laser wavelength (frequency) stability is desirable. This paper discusses the impact of VCSEL amplitude and frequency noise on the position measurement.
C1 [Serkland, Darwin K.; Geib, Kent M.; Peake, Gregory M.; Keeler, Gordon A.; Shaw, Michael J.; Baker, Michael S.; Okandan, Murat] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Okandan, Murat] EIOS Inc, Sherman Oaks, CA 91423 USA.
RP Serkland, DK (reprint author), Sandia Natl Labs, Albuquerque, NM 87185 USA.
EM DKSERKL@sandia.gov; mokandan@gmail.com
NR 4
TC 0
Z9 0
U1 4
U2 6
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-5106-0001-0
J9 PROC SPIE
PY 2016
VL 9766
AR 976606
DI 10.1117/12.2214522
PG 8
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BF0RW
UT WOS:000379358100002
ER
PT J
AU El-Khoury, PZ
Abellan, P
Gong, Y
Hage, FS
Cottom, J
Joly, AG
Brydson, R
Ramasse, QM
Hess, WP
AF El-Khoury, P. Z.
Abellan, P.
Gong, Y.
Hage, F. S.
Cottom, J.
Joly, A. G.
Brydson, R.
Ramasse, Q. M.
Hess, W. P.
TI Visualizing surface plasmons with photons, photoelectrons, and electrons
SO ANALYST
LA English
DT Review
ID ENHANCED RAMAN-SCATTERING; SINGLE-MOLECULE; NANOPARTICLES; SILVER;
SPECTROSCOPY; FIELD; MICROSCOPE; RESONANCES; NANORODS; PARTICLE
AB Both photons and electrons may be used to excite surface plasmon polaritons, the collective charge density fluctuations at the surface of metal nanostructures. By virtue of their nanoscopic and dissipative nature, a detailed characterization of surface plasmon (SP) eigenmodes in real space-time ultimately requires joint nanometer spatial and femtosecond temporal resolution. The latter realization has driven significant developments in the past few years, aimed at interrogating both localized and propagating SP modes. In this mini-review, we briefly highlight different techniques employed by our own groups to visualize the enhanced electric fields associated with SPs. Specifically, we discuss recent hyperspectral optical microscopy, tip-enhanced Raman nano-spectroscopy, nonlinear photoemission electron microscopy, as well as correlated scanning transmission electron microscopy-electron energy loss spectroscopy measurements targeting prototypical plasmonic nanostructures and constructs. Through selected practical examples from our own laboratories, we examine the information content in multidimensional images recorded by taking advantage of each of the aforementioned techniques. In effect, we illustrate how SPs can be visualized at the ultimate limits of space and time.
C1 [El-Khoury, P. Z.; Gong, Y.; Joly, A. G.; Hess, W. P.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
[Abellan, P.; Hage, F. S.; Ramasse, Q. M.] SuperSTEM Lab, SciTech Daresbury Campus, Daresbury WA4 4AD, Cheshire, England.
[Cottom, J.; Brydson, R.] Univ Leeds, Sch Chem & Proc Engn, Inst Mat Res, Leeds, W Yorkshire, England.
RP El-Khoury, PZ (reprint author), Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
EM patrick.elkhoury@pnnl.gov
RI Abellan, Patricia/G-4255-2011; Gong, Yu /I-9950-2014
OI Abellan, Patricia/0000-0002-5797-1102; Gong, Yu /0000-0002-9357-9503
FU Laboratory Directed Research and Development Program through a Linus
Pauling Fellowship at Pacific Northwest National Laboratory (PNNL); US
Department of Energy (DOE), Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences Biosciences; DOE's
Office of Biological and Environmental Research
FX PZE was supported by the Laboratory Directed Research and Development
Program through a Linus Pauling Fellowship at Pacific Northwest National
Laboratory (PNNL), and acknowledges an allocation of computing time from
the National Science Foundation (TG-CHE130003). YG, AGJ, and WPH were
supported by the US Department of Energy (DOE), Office of Science,
Office of Basic Energy Sciences, Division of Chemical Sciences,
Geosciences & Biosciences. A portion of the work was performed using
EMSL, a national scientific user facility sponsored by the DOE's Office
of Biological and Environmental Research and located at PNNL. PNNL is a
multiprogram national laboratory operated for DOE by Battelle. EELS
measurements were performed at SuperSTEM, the U.K. National Facility for
Aberration-Corrected STEM, supported by the Engineering and Physical
Sciences Research Council (PA, FSH, and QMR).
NR 69
TC 0
Z9 0
U1 15
U2 26
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 2016
VL 141
IS 12
BP 3562
EP 3572
DI 10.1039/c6an00308g
PG 11
WC Chemistry, Analytical
SC Chemistry
GA DQ1DZ
UT WOS:000378942900009
PM 27067797
ER
PT J
AU Johnson, GE
Laskin, J
AF Johnson, Grant E.
Laskin, Julia
TI Understanding ligand effects in gold clusters using mass spectrometry
SO ANALYST
LA English
DT Review
ID ASSEMBLED MONOLAYER SURFACES; ION MOBILITY MEASUREMENTS; INFRARED
RADIATIVE DISSOCIATION; DENSITY-FUNCTIONAL CALCULATIONS;
COLLISION-INDUCED DISSOCIATION; NONCOVALENT PROTEIN COMPLEXES;
RAY-STRUCTURE DETERMINATION; OFF-RESONANCE EXCITATION; SOFT-LANDING
ISOLATION; SIMPLE METAL-CLUSTERS
AB This review summarizes recent research on the influence of phosphine ligands on the size, stability, and reactivity of gold clusters synthesized in solution. Sub-nanometer clusters exhibit size-and composition-dependent properties that are unique from those of larger nanoparticles. The highly tunable properties of clusters and their high surface-to-volume ratio make them promising candidates for a variety of technological applications. However, because "each-atom-counts" toward defining cluster properties it is critically important to develop robust synthesis methods to efficiently prepare clusters of predetermined size. For decades phosphines have been known to direct the size-selected synthesis of gold clusters. Despite the preparation of numerous species it is still not understood how different functional groups at phosphine centers affect the size and properties of gold clusters. Using electrospray ionization mass spectrometry (ESI-MS) it is possible to characterize the effect of ligand substitution on the distribution of clusters formed in solution at defined reaction conditions. In addition, ligand exchange reactions on preformed clusters may be monitored using ESI-MS. Collision induced dissociation (CID) may also be employed to obtain qualitative insight into the fragmentation of mixed ligand clusters and the relative binding energies of differently substituted phosphines. Quantitative ligand binding energies and cluster stability may be determined employing surface induced dissociation (SID) in a custom-built Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR-MS). Rice-Ramsperger-Kassel-Marcus (RRKM) based modeling of the SID data allows dissociation energies and entropy values to be extracted. The charge reduction and reactivity of atomically precise gold clusters, including partially ligated species generated in the gas-phase by in source CID, on well-defined surfaces may be explored using ion soft landing (SL) in a custom-built instrument combined with in situ time of flight secondary ion mass spectrometry (TOF-SIMS). Jointly, this multipronged experimental approach allows characterization of the full spectrum of relevant phenomena including cluster synthesis, ligand exchange, thermochemistry, surface immobilization, and reactivity. The fundamental insights obtained from this work will facilitate the directed synthesis of gold clusters with predetermined size and properties for specific applications.
C1 [Johnson, Grant E.; Laskin, Julia] Pacific NW Natl Lab, Div Phys Sci, POB 999,MSIN K8-88, Richland, WA 99352 USA.
RP Johnson, GE (reprint author), Pacific NW Natl Lab, Div Phys Sci, POB 999,MSIN K8-88, Richland, WA 99352 USA.
EM Grant.Johnson@pnnl.gov
RI Laskin, Julia/H-9974-2012
OI Laskin, Julia/0000-0002-4533-9644
FU US Department of Energy (DOE), Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences and Biosciences;
DOE Science Undergraduate Laboratory Internship (SULI) program; DOE's
Office of Biological and Environmental Research
FX This work was supported by the US Department of Energy (DOE), Office of
Science, Office of Basic Energy Sciences, Division of Chemical Sciences,
Geosciences and Biosciences. The authors acknowledge the DOE Science
Undergraduate Laboratory Internship (SULI) program which supported
interns Thomas Priest and Astrid Olivares who conducted portions of the
experimental work. This work was performed using EMSL, a national
scientific user facility sponsored by the DOE's Office of Biological and
Environmental Research and located at Pacific Northwest National
Laboratory (PNNL). PNNL is a multiprogram national laboratory operated
for DOE by Battelle.
NR 213
TC 0
Z9 0
U1 18
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 2016
VL 141
IS 12
BP 3573
EP 3589
DI 10.1039/c6an00263c
PG 17
WC Chemistry, Analytical
SC Chemistry
GA DQ1DZ
UT WOS:000378942900010
PM 27221357
ER
PT S
AU Zamora, RJ
Uberuaga, BP
Perez, D
Voter, AF
AF Zamora, Richard J.
Uberuaga, Blas P.
Perez, Danny
Voter, Arthur F.
BE Prausnitz, JM
TI The Modern Temperature-Accelerated Dynamics Approach
SO ANNUAL REVIEW OF CHEMICAL AND BIOMOLECULAR ENGINEERING, VOL 7
SE Annual Review of Chemical and Biomolecular Engineering
LA English
DT Review; Book Chapter
DE accelerated molecular dynamics; temperature-accelerated dynamics;
molecular dynamics; infrequent events; rare events
ID FINDING SADDLE-POINTS; MOLECULAR-DYNAMICS; ATOMISTIC SIMULATION;
INFREQUENT EVENTS; MIGRATION; INSIGHTS; MOBILITY; SYSTEMS; OXIDES
AB Accelerated molecular dynamics (AMD) is a class of MD-based methods used to simulate atomistic systems in which the metastable state-to-state evolution is slow compared with thermal vibrations. Temperature-accelerated dynamics (TAD) is a particularly efficient AMD procedure in which the predicted evolution is hastened by elevating the temperature of the system and then recovering the correct state-to-state dynamics at the temperature of interest. TAD has been used to study various materials applications, often revealing surprising behavior beyond the reach of direct MD. This success has inspired several algorithmic performance enhancements, as well as the analysis of its mathematical framework. Recently, these enhancements have leveraged parallel programming techniques to enhance both the spatial and temporal scaling of the traditional approach. We review the ongoing evolution of the modern TAD method and introduce the latest development: speculatively parallel TAD.
C1 [Zamora, Richard J.; Perez, Danny; Voter, Arthur F.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Uberuaga, Blas P.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA.
RP Voter, AF (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM afv@lanl.gov
OI Zamora, Richard/0000-0002-5841-0243
NR 45
TC 2
Z9 2
U1 7
U2 7
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 1947-5438
BN 978-0-8243-5207-3
J9 ANNU REV CHEM BIOMOL
JI Annu. Rev. Chem. Biomol. Eng.
PY 2016
VL 7
BP 87
EP 110
DI 10.1146/annurev-chembioeng-080615-033608
PG 24
WC Chemistry, Applied; Engineering, Chemical
SC Chemistry; Engineering
GA BF0QQ
UT WOS:000379322600005
PM 26979413
ER
PT S
AU Katona, TM
Pattison, PM
Paolini, S
AF Katona, Thomas M.
Pattison, P. Morgan
Paolini, Steve
BE Prausnitz, JM
TI Status of Solid State Lighting Product Development and Future Trends for
General Illumination
SO ANNUAL REVIEW OF CHEMICAL AND BIOMOLECULAR ENGINEERING, VOL 7
SE Annual Review of Chemical and Biomolecular Engineering
LA English
DT Review; Book Chapter
DE solid state lighting; light-emitting diode; LED; Internet of Things;
lamps; luminaires
ID RED LEAF LETTUCE; EMITTING-DIODES; BUFFER LAYER; EFFICIENCY; MELATONIN;
EXPOSURE; QUALITY; GROWTH; ANTIOXIDANT; IRRADIATION
AB After decades of research and development on fabrication of efficient light-emitting diodes (LEDs) throughout the visible spectrum, LED-based lighting has reached unparalleled performance with respect to energy efficiency and has become the light source for virtually all new lighting products being designed today. The development of the core light sources and their subsequent integration into lighting systems continue to present unique challenges and opportunities for product designers. We review these systems and the current development status, as well as provide context for the trends in solid state lighting that are leading to the development of value-added lighting solutions that extend the domain of lighting beyond light generation, into fields as diverse as communications, healthcare, and agricultural production.
C1 [Katona, Thomas M.] Calif Polytech State Univ San Luis Obispo, Dept Biomed & Gen Engn, San Luis Obispo, CA 93407 USA.
[Pattison, P. Morgan] US DOE, Solid State Lighting Program, Washington, DC 20585 USA.
[Paolini, Steve] Telelumen, Saratoga, CA 95070 USA.
RP Katona, TM (reprint author), Calif Polytech State Univ San Luis Obispo, Dept Biomed & Gen Engn, San Luis Obispo, CA 93407 USA.
EM tkatona@calpoly.edu
NR 70
TC 1
Z9 1
U1 9
U2 12
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 1947-5438
BN 978-0-8243-5207-3
J9 ANNU REV CHEM BIOMOL
JI Annu. Rev. Chem. Biomol. Eng.
PY 2016
VL 7
BP 263
EP 281
DI 10.1146/annurev-chembioeng-080615-034625
PG 19
WC Chemistry, Applied; Engineering, Chemical
SC Chemistry; Engineering
GA BF0QQ
UT WOS:000379322600012
PM 27023662
ER
PT S
AU Li, DG
Lv, HF
Kang, YJ
Markovic, NM
Stamenkovic, VR
AF Li, Dongguo
Lv, Haifeng
Kang, Yijin
Markovic, Nenad M.
Stamenkovic, Vojislav R.
BE Prausnitz, JM
TI Progress in the Development of Oxygen Reduction Reaction Catalysts for
Low-Temperature Fuel Cells
SO ANNUAL REVIEW OF CHEMICAL AND BIOMOLECULAR ENGINEERING, VOL 7
SE Annual Review of Chemical and Biomolecular Engineering
LA English
DT Review; Book Chapter
DE electrochemistry; platinum; carbon; nanoparticle; thin films; core-shell
ID HIGH ELECTROCATALYTIC ACTIVITY; PLATINUM-MONOLAYER SHELL; SINGLE-CRYSTAL
SURFACES; NONPRECIOUS METAL-CATALYSTS; SHAPE-CONTROLLED SYNTHESIS;
SULFURIC-ACID-SOLUTION; PT-SKIN SURFACES; FEPT NANOPARTICLES;
HIGH-PERFORMANCE; DOPED GRAPHENE
AB We present a brief summary on the most recent progress in the design of catalysts for electrochemical reduction of oxygen. The main challenge in the wide spread of fuel cell technology is to lower the content of, or even eliminate, Pt and other precious metals in catalysts without sacrificing their performance. Pt-based nanosized catalysts with novel and refined architectures continue to dominate in catalytic performance, and formation of Pt-skin-like surfaces is key to achieving the highest values in activity. Moreover, durability has also been improved in Pt-based systems with addition of Au, which plays an important role in stabilizing the Pt topmost layers against dissolution. However, various carbon-based materials without precious metal have shown improvement in activity and durability and have been explored to serve as catalyst supports. Understanding how the doped elements interact with each other and/or carbon is challenging and necessary in the design of robust fuel cell catalysts.
C1 [Li, Dongguo; Lv, Haifeng; Kang, Yijin; Markovic, Nenad M.; Stamenkovic, Vojislav R.] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA.
RP Stamenkovic, VR (reprint author), Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA.
EM vrstamenkovic@anl.gov
NR 121
TC 4
Z9 4
U1 29
U2 50
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 1947-5438
BN 978-0-8243-5207-3
J9 ANNU REV CHEM BIOMOL
JI Annu. Rev. Chem. Biomol. Eng.
PY 2016
VL 7
BP 509
EP 532
DI 10.1146/annurev-chembioeng-080615-034526
PG 24
WC Chemistry, Applied; Engineering, Chemical
SC Chemistry; Engineering
GA BF0QQ
UT WOS:000379322600022
PM 27070766
ER
PT S
AU Sarobol, P
Cook, A
Clem, PG
Keicher, D
Hirschfeld, D
Hall, AC
Bell, NS
AF Sarobol, Pylin
Cook, Adam
Clem, Paul G.
Keicher, David
Hirschfeld, Deidre
Hall, Aaron C.
Bell, Nelson S.
BE Clarke, DR
TI Additive Manufacturing of Hybrid Circuits
SO ANNUAL REVIEW OF MATERIALS RESEARCH, VOL 46
SE Annual Review of Materials Research
LA English
DT Review; Book Chapter
DE additive manufacturing; direct write; aerosol deposition; embedded
sensors; hybrid circuits
ID AEROSOL DEPOSITION METHOD; ROOM-TEMPERATURE; THICK-FILMS; SILVER
NANOPARTICLES; PRINTED ELECTRONICS; THERMAL SPRAY; COPPER NANOPARTICLES;
POWDER PREPARATION; CERAMIC PARTS; INKJET
AB There is a rising interest in developing functional electronics using additively manufactured components. Considerations in materials selection and pathways to forming hybrid circuits and devices must demonstrate useful electronic function; must enable integration; and must complement the complex shape, low cost, high volume, and high functionality of structural but generally electronically passive additively manufactured components. This article reviews several emerging technologies being used in industry and research/development to provide integration advantages of fabricating multilayer hybrid circuits or devices. First, we review a maskless, noncontact, direct write (DW) technology that excels in the deposition of metallic colloid inks for electrical interconnects. Second, we review a complementary technology, aerosol deposition (AD), which excels in the deposition of metallic and ceramic powder as consolidated, thick conformal coatings and is additionally patternable through masking. Finally, we show examples of hybrid circuits/devices integrated beyond 2-D planes, using combinations of DW or AD processes and conventional, established processes.
C1 [Sarobol, Pylin; Cook, Adam; Clem, Paul G.; Keicher, David; Hirschfeld, Deidre; Hall, Aaron C.; Bell, Nelson S.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
RP Bell, NS (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM nsbell@sandia.gov
NR 110
TC 0
Z9 0
U1 26
U2 51
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 1531-7331
BN 978-0-8243-1746-1
J9 ANNU REV MATER RES
JI Ann. Rev. Mater. Res.
PY 2016
VL 46
BP 41
EP 62
DI 10.1146/annurev-matsci-070115-031632
PG 22
WC Materials Science, Multidisciplinary
SC Materials Science
GA BF0QU
UT WOS:000379330400003
ER
PT S
AU Collins, PC
Brice, DA
Samimi, P
Ghamarian, I
Fraser, HL
AF Collins, P. C.
Brice, D. A.
Samimi, P.
Ghamarian, I.
Fraser, H. L.
BE Clarke, DR
TI Microstructural Control of Additively Manufactured Metallic Materials
SO ANNUAL REVIEW OF MATERIALS RESEARCH, VOL 46
SE Annual Review of Materials Research
LA English
DT Review; Book Chapter
DE microstructure; additive manufacturing; microstructural evolution;
microstructural control; composition; characterization
ID DIRECT LASER DEPOSITION; INDUCED PHASE-TRANSFORMATIONS; NICKEL-BASED
SUPERALLOY; BETA-TITANIUM ALLOY; 650 DEGREES-C; MECHANICAL-PROPERTIES;
TENSILE PROPERTIES; RESIDUAL-STRESS; COMBINATORIAL APPROACH; OXIDATION
BEHAVIOR
AB In additively manufactured (AM) metallic materials, the fundamental interrelationships that exist between composition, processing, and microstructure govern these materials' properties and potential improvements or reductions in performance. For example, by using AM, it is possible to achieve highly desirable microstructural features (e.g., highly refined precipitates) that could not otherwise be achieved by using conventional approaches. Simultaneously, opportunities exist to manage macro-level microstructural characteristics such as residual stress, porosity, and texture, the last of which might be desirable. To predictably realize optimal microstructures, it is necessary to establish a framework that integrates processing variables, alloy composition, and the resulting microstructure. Although such a framework is largely lacking for AM metallic materials, the basic scientific components of the framework exist in literature. This review considers these key components and presents them in a manner that highlights key interdependencies that would form an integrated framework to engineer microstructures using AM.
C1 [Collins, P. C.; Brice, D. A.; Samimi, P.; Ghamarian, I.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
[Collins, P. C.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
[Fraser, H. L.] Ohio State Univ, Dept Mat Sci & Engn, 116 W 19Th Ave, Columbus, OH 43210 USA.
RP Collins, PC (reprint author), Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.; Collins, PC (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
EM pcollins@iastate.edu
RI Collins, Peter/A-4961-2016
OI Collins, Peter/0000-0002-3441-2981
NR 130
TC 5
Z9 5
U1 18
U2 34
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 1531-7331
BN 978-0-8243-1746-1
J9 ANNU REV MATER RES
JI Ann. Rev. Mater. Res.
PY 2016
VL 46
BP 63
EP 91
DI 10.1146/annurev-matsci-070115-031816
PG 29
WC Materials Science, Multidisciplinary
SC Materials Science
GA BF0QU
UT WOS:000379330400004
ER
PT S
AU Middey, S
Chakhalian, J
Mahadevan, P
Freeland, JW
Millis, AJ
Sarma, DD
AF Middey, S.
Chakhalian, J.
Mahadevan, P.
Freeland, J. W.
Millis, A. J.
Sarma, D. D.
BE Clarke, DR
TI Physics of Ultrathin Films and Heterostructures of Rare-Earth Nickelates
SO ANNUAL REVIEW OF MATERIALS RESEARCH, VOL 46
SE Annual Review of Materials Research
LA English
DT Review; Book Chapter
DE correlated electrons; complex oxide heterostructures; metal-insulator
transition; charge ordering; orbital engineering
ID METAL-INSULATOR-TRANSITION; NDNIO3 THIN-FILMS; NARROW ENERGY-BANDS;
ELECTRONIC-STRUCTURE; OXIDE HETEROSTRUCTURES; PEROVSKITE NICKELATE;
TRANSPORT-PROPERTIES; NEUTRON-DIFFRACTION; EXCITATION-SPECTRA;
GROUND-STATE
AB The electronic structure of transition metal oxides featuring correlated electrons can be rationalized within theZaanen-Sawatzky-Allen framework. Following a brief description of the present paradigms of electronic behavior, we focus on the physics of rare-earth nickelates as an archetype of complexity emerging within the charge transfer regime. The intriguing prospect of realizing the physics of high-T-c cuprates through heterostructuring resulted in a massive endeavor to epitaxially stabilize these materials in ultrathin form. A plethora of new phenomena unfolded in such artificial structures due to the effect of epitaxial strain, quantum confinement, and interfacial charge transfer. Here we review the present status of artificial rare-earth nickelates in an effort to uncover the interconnection between the electronic and magnetic behavior and the underlying crystal structure. We conclude by discussing future directions to disentangle the puzzle regarding the origin of the metal-insulator transition, the role of oxygen holes, and the true nature of the antiferromagnetic spin configuration in the ultrathin limit.
C1 [Middey, S.; Chakhalian, J.] Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA.
[Mahadevan, P.] SN Bose Natl Ctr Basic Sci, Kolkata 700098, India.
[Freeland, J. W.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Millis, A. J.] Columbia Univ, Dept Phys, 538 W 120th St, New York, NY 10027 USA.
[Sarma, D. D.] Indian Inst Sci, Solid State & Struct Chem Unit, Bangalore 560012, Karnataka, India.
RP Middey, S (reprint author), Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA.
EM smiddey@uark.edu; jchakhal@uark.edu; priya@bose.res.in;
freeland@anl.gov; millis@phys.columbia.edu; sarma@sscu.iisc.ernet.in
RI Middey, Srimanta/D-9580-2013
OI Middey, Srimanta/0000-0001-5893-0946
NR 178
TC 7
Z9 7
U1 20
U2 35
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 1531-7331
BN 978-0-8243-1746-1
J9 ANNU REV MATER RES
JI Ann. Rev. Mater. Res.
PY 2016
VL 46
BP 305
EP 334
DI 10.1146/annurev-matsci-070115-032057
PG 30
WC Materials Science, Multidisciplinary
SC Materials Science
GA BF0QU
UT WOS:000379330400013
ER
PT S
AU Monachon, C
Weber, L
Dames, C
AF Monachon, Christian
Weber, Ludger
Dames, Chris
BE Clarke, DR
TI Thermal Boundary Conductance: A Materials Science Perspective
SO ANNUAL REVIEW OF MATERIALS RESEARCH, VOL 46
SE Annual Review of Materials Research
LA English
DT Review; Book Chapter
DE thermal boundary conductance; computational methods; experimental
methods; interface materials science
ID HEAT SINK APPLICATIONS; REINFORCEMENT PARTICLE-SIZE; ALUMINUM-MATRIX
COMPOSITE; COPPER-DIAMOND COMPOSITES; KAPITZA CONDUCTANCE; ROUGHNESS
MEASUREMENTS; MOLECULAR-DYNAMICS; POWDER-METALLURGY; MISMATCH MODEL;
SILVER MATRIX
AB The thermal boundary conductance (TBC) of materials pairs in atomically intimate contact is reviewed as a practical guide for materials scientists. First, analytical and computational models of TBC are reviewed. Five measurement methods are then compared in terms of their sensitivity to TBC: the 3 omega method, frequency- and time-domain thermoreflectance, the cut-bar method, and a composite effective thermal conductivity method. The heart of the review surveys 30 years of TBC measurements around room temperature, highlighting the materials science factors experimentally proven to influence TBC. These factors include the bulk dispersion relations, acoustic contrast, and interfacial chemistry and bonding. The measured TBCs are compared across a wide range of materials systems by using the maximum transmission limit, which with an attenuated transmission coefficient proves to be a good guideline for most clean, strongly bonded interfaces. Finally, opportunities for future research are discussed.
C1 [Monachon, Christian; Dames, Chris] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA.
[Monachon, Christian; Dames, Chris] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Weber, Ludger] Ecole Polytech Fed Lausanne, Lab Mech Met, CH-1015 Lausanne, Switzerland.
RP Dames, C (reprint author), Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA.; Dames, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
EM cdames@berkeley.edu
NR 189
TC 1
Z9 1
U1 20
U2 29
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 1531-7331
BN 978-0-8243-1746-1
J9 ANNU REV MATER RES
JI Ann. Rev. Mater. Res.
PY 2016
VL 46
BP 433
EP +
DI 10.1146/annurev-matsci-070115-031719
PG 37
WC Materials Science, Multidisciplinary
SC Materials Science
GA BF0QU
UT WOS:000379330400018
ER
PT J
AU Runcevski, T
Kapelewski, MT
Torres-Gavosto, RM
Tarver, JD
Brown, CM
Long, JR
AF Runcevski, Tomce
Kapelewski, Matthew T.
Torres-Gavosto, Rodolfo M.
Tarver, Jacob D.
Brown, Craig M.
Long, Jeffrey R.
TI Adsorption of two gas molecules at a single metal site in a
metal-organic framework
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID HYDROGEN STORAGE; METHANE STORAGE; CO; MG; MN; FE; NI; BINDING; CH4; ZN
AB One strategy to markedly increase the gas storage capacity of metal-organic frameworks is to introduce coordinatively-unsaturated metal centers capable of binding multiple gas molecules. Herein, we provide an initial demonstration that a single metal site within a framework can support the terminal coordination of two gas molecules-specifically hydrogen, methane, or carbon dioxide.
C1 [Runcevski, Tomce; Kapelewski, Matthew T.; Torres-Gavosto, Rodolfo M.; Long, Jeffrey R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Runcevski, Tomce; Kapelewski, Matthew T.; Torres-Gavosto, Rodolfo M.; Long, Jeffrey R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Tarver, Jacob D.; Brown, Craig M.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA.
[Tarver, Jacob D.] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
[Brown, Craig M.] Univ Delaware, Dept Chem & Biomol Engn, Newark, DE 19716 USA.
[Long, Jeffrey R.] Univ Calif Berkeley, Dept Biomol & Chem Engn, Berkeley, CA 94720 USA.
RP Long, JR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Long, JR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.; Long, JR (reprint author), Univ Calif Berkeley, Dept Biomol & Chem Engn, Berkeley, CA 94720 USA.
EM jrlong@berkeley.edu
RI Brown, Craig/B-5430-2009
OI Brown, Craig/0000-0002-9637-9355
FU Department of Energy, Office of Energy Efficiency and Renewable Energy,
Fuel Cell Technologies Office [DE-AC02-05CH11231]; NSF Graduate Research
Fellowship Program; U.S. Department of Energy, Office of Energy
Efficiency and Renewable Energy, Fuel Cell Technologies Office
[DE-AC36-08GO28308]
FX This research was supported through the Department of Energy, Office of
Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office
(under grant DE-AC02-05CH11231). X-ray diffraction measurements were
performed at Beamline 17-BM, Advanced Photon Source, Argonne National
Laboratory, Proposal ID: 46636. M. T. K. and R. M. T.-G. gratefully
acknowledge support through the NSF Graduate Research Fellowship
Program. J. D. T. gratefully acknowledges research support from the U.S.
Department of Energy, Office of Energy Efficiency and Renewable Energy,
Fuel Cell Technologies Office, under Contract No. DE-AC36-08GO28308. We
also thank Dr K. R. Meihaus for providing editorial assistance.
NR 31
TC 4
Z9 4
U1 3
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 2016
VL 52
IS 53
BP 8251
EP 8254
DI 10.1039/c6cc02494g
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA DP7YP
UT WOS:000378715400014
PM 27284590
ER
PT J
AU Dong, H
Li, YF
Liang, YL
Li, GS
Sun, CJ
Ren, Y
Lu, YH
Yao, Y
AF Dong, Hui
Li, Yifei
Liang, Yanliang
Li, Guosheng
Sun, Cheng-Jun
Ren, Yang
Lu, Yuhao
Yao, Yan
TI A magnesium-sodium hybrid battery with high operating voltage
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID ION BATTERIES; CATHODE; STORAGE; ELECTROLYTE; LITHIUM; HEXACYANOFERRATE;
COMPLEX; CARBON
AB We report a high performance magnesium-sodium hybrid battery utilizing a magnesium-sodium dual-salt electrolyte, a magnesium anode, and a Berlin green cathode. The cell delivers an average discharge voltage of 2.2 V and a reversible capacity of 143 mA h g(-1). We also demonstrate the cell with an energy density of 135 W h kg(-1) and a high power density of up to 1.67 kW kg(-1).
C1 [Dong, Hui; Li, Yifei; Liang, Yanliang; Yao, Yan] Univ Houston, Dept Elect & Comp Engn, Mat Sci & Engn Program, Houston, TX 77204 USA.
[Li, Guosheng] Pacific Northwest Natl Lab, Energy Proc & Mat Div, Richland, WA 99354 USA.
[Sun, Cheng-Jun; Ren, Yang] Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Lu, Yuhao] Sharp Labs Amer, Camas, WA 98607 USA.
[Yao, Yan] Univ Houston, Texas Ctr Superconduct, Houston, TX 77204 USA.
RP Yao, Y (reprint author), Univ Houston, Dept Elect & Comp Engn, Mat Sci & Engn Program, Houston, TX 77204 USA.; Lu, YH (reprint author), Sharp Labs Amer, Camas, WA 98607 USA.; Yao, Y (reprint author), Univ Houston, Texas Ctr Superconduct, Houston, TX 77204 USA.
EM luy@sharplabs.com; yyao4@uh.edu
RI Yao, Yan/D-7774-2011
OI Yao, Yan/0000-0002-8785-5030
FU US Office of Naval Research (ONR) [N00014-13-1-0543]; National Science
Foundation [CMMI-1400261]; US Department of Energy - Basic Energy
Sciences; U.S. DOE [DE-AC02-06CH11357]
FX We acknowledge the funding support from the US Office of Naval Research
(ONR) Award (N00014-13-1-0543) and the National Science Foundation
(CMMI-1400261). Sector 20 facilities at the Advanced Photon Source, and
research at these facilities, are supported by the US Department of
Energy - Basic Energy Sciences, and its funding partners, 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 24
TC 4
Z9 4
U1 25
U2 49
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 2016
VL 52
IS 53
BP 8263
EP 8266
DI 10.1039/c6cc03081e
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA DP7YP
UT WOS:000378715400017
PM 27284593
ER
PT J
AU Tsivion, E
Mason, JA
Gonzalez, MI
Long, JR
Head-Gordon, M
AF Tsivion, Ehud
Mason, Jarad A.
Gonzalez, Miguel. I.
Long, Jeffrey R.
Head-Gordon, Martin
TI A computational study of CH4 storage in porous framework materials with
metalated linkers: connecting the atomistic character of CH4 binding
sites to usable capacity
SO CHEMICAL SCIENCE
LA English
DT Article
ID COLLISIONALLY ACTIVATED DISSOCIATION; ORGANIC FRAMEWORKS; METHANE
STORAGE; OXIDATION CATALYSIS; HYDROGEN STORAGE; GAS-STORAGE; AB-INITIO;
ADSORPTION; CALCIUM; CATIONS
AB To store natural gas (NG) inexpensively at adequate densities for use as a fuel in the transportation sector, new porous materials are being developed. This work uses computational methods to explore strategies for improving the usable methane storage capacity of adsorbents, including metal-organic frameworks (MOFs), that feature open-metal sites incorporated into their structure by postsynthetic modification. The adsorption of CH4 on several open-metal sites is studied by calculating geometries and adsorption energies and analyzing the relevant interaction factors. Approximate site-specific adsorption isotherms are obtained, and the open-metal site contribution to the overall CH4 usable capacity is evaluated. It is found that sufficient ionic character is required, as exemplified by the strong CH4 affinities of 2,2'-bipyridine-CaCl2 and Mg, Ca-catecholate. In addition, it is found that the capacity of a single metal site depends not only on its affinity but also on its geometry, where trigonal or "bent" low-coordinate exposed sites can accommodate three or four methane molecules, as exemplified by Ca-decorated nitrilotriacetic acid. The effect of residual solvent molecules at the open-metal site is also explored, with some positive conclusions. Not only can residual solvent stabilize the open-metal site, surprisingly, solvent molecules do not necessarily reduce CH4 affinity, but can contribute to increased usable capacity by modifying adsorption interactions.
C1 [Tsivion, Ehud; Long, Jeffrey R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Head-Gordon, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Tsivion, Ehud; Mason, Jarad A.; Gonzalez, Miguel. I.; Long, Jeffrey R.; Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Long, Jeffrey R.] Univ Calif Berkeley, Dept Biomol & Chem Engn, Berkeley, CA 94720 USA.
RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.; Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM mhg@cchem.berkeley.edu
OI Gonzalez, Miguel/0000-0003-4250-9035
FU Advanced Research Projects Agency - Energy (ARPA-E), U.S. Department of
Energy; National Science Foundation [CHE-1363342]
FX This research was supported by the Advanced Research Projects Agency -
Energy (ARPA-E), U.S. Department of Energy with additional support from
the National Science Foundation, grant number CHE-1363342. We thank
Narbe Mardirossian, Matthew Kapelewski and Dr Eric Bloch for helpful
discussions.
NR 77
TC 2
Z9 2
U1 12
U2 20
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 2016
VL 7
IS 7
BP 4503
EP 4518
DI 10.1039/c6sc00529b
PG 16
WC Chemistry, Multidisciplinary
SC Chemistry
GA DP7YL
UT WOS:000378715000067
ER
PT J
AU Hou, GL
Chen, B
Transue, WJ
Hrovat, DA
Cummins, CC
Borden, WT
Wang, XB
AF Hou, Gao-Lei
Chen, Bo
Transue, Wesley J.
Hrovat, David A.
Cummins, Christopher C.
Borden, Weston Thatcher
Wang, Xue-Bin
TI Negative ion photoelectron spectroscopy of P2N3-: electron affinity and
electronic structures of P2N3 center dot
SO CHEMICAL SCIENCE
LA English
DT Article
ID SINGLET GROUND-STATE; QUANTUM CONTRIBUTIONS; DIPHOSPHATRIAZOLATE ANION;
CHEMICAL-SHIFTS; BENZENE PROBLEM; CLUSTER ANIONS; RADICAL-ANION;
JAHN-TELLER; AROMATICITY; PHOSPHORUS
AB We report here a negative ion photoelectron spectroscopy (NIPES) and ab initio study of the recently synthesized planar aromatic inorganic ion P2N3-, to investigate the electronic structures of P2N3- and its neutral P2N3 center dot radical. The adiabatic detachment energy of P2N3- (electron affinity of P2N3 center dot) was determined to be 3.765 +/- 0.010 eV, indicating high stability for the P2N3- anion. Ab initio electronic structure calculations reveal the existence of five, low-lying, electronic states in the neutral P2N3 center dot radical. Calculation of the Franck-Condon factors (FCFs) for each anion-to-neutral electronic transition and comparison of the resulting simulated NIPE spectrum with the vibrational structure in the observed spectrum allows the first four excited states of P2N3 center dot to be determined to lie 6.2, 6.7, 11.5, and 22.8 kcal mol(-1) above the ground state of the radical, which is found to be a 6 pi-electron, (2)A(1), sigma state.
C1 [Hou, Gao-Lei; Wang, Xue-Bin] Pacific NW Natl Lab, Div Phys Sci, POB 999,MS K8-88, Richland, WA 99352 USA.
[Chen, Bo] Cornell Univ, Dept Chem & Chem Biol, Ithaca, NY 14853 USA.
[Hrovat, David A.; Borden, Weston Thatcher] Univ N Texas, Dept Chem, 1155 Union Circle,305070, Denton, TX 76203 USA.
[Hrovat, David A.; Borden, Weston Thatcher] Univ N Texas, Ctr Adv Sci Comp & Modeling, 1155 Union Circle,305070, Denton, TX 76203 USA.
[Transue, Wesley J.; Cummins, Christopher C.] MIT, Dept Chem, Cambridge, MA 02139 USA.
RP Wang, XB (reprint author), Pacific NW Natl Lab, Div Phys Sci, POB 999,MS K8-88, Richland, WA 99352 USA.; Chen, B (reprint author), Cornell Univ, Dept Chem & Chem Biol, Ithaca, NY 14853 USA.; Borden, WT (reprint author), Univ N Texas, Dept Chem, 1155 Union Circle,305070, Denton, TX 76203 USA.; Borden, WT (reprint author), Univ N Texas, Ctr Adv Sci Comp & Modeling, 1155 Union Circle,305070, Denton, TX 76203 USA.; Cummins, CC (reprint author), MIT, Dept Chem, Cambridge, MA 02139 USA.
EM cberic@hotmail.com; ccummins@mit.edu; borden@unt.edu;
xuebin.wang@pnnl.gov
FU U.S. Department of Energy (DOE), Office of Science, Office of Basic
Energy Sciences, the Division of Chemical Sciences, Geosciences, and
Biosciences; DOE's Office of Biological and Environmental Research;
Robert A. Welch Foundation [B0027]; National Science Foundation
[CHE-1362118]
FX The NIPES research done at PNNL was supported by U.S. Department of
Energy (DOE), Office of Science, Office of Basic Energy Sciences, the
Division of Chemical Sciences, Geosciences, and Biosciences, and
performed using EMSL, a national scientific user facility sponsored by
DOE's Office of Biological and Environmental Research and located at
Pacific Northwest National Laboratory, which is operated by Battelle
Memorial Institute for the DOE. The theoretical calculations at UNT were
supported by Grant B0027 from the Robert A. Welch Foundation. The
synthesis work of [Na-kryptofix-221][P2N3] was
supported by the National Science Foundation under grant no.
CHE-1362118. G.-L. Hou thanks Dr Shaoguang Zhang from PNNL for providing
the dry and degassed acetonitrile.
NR 62
TC 2
Z9 2
U1 17
U2 23
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 2016
VL 7
IS 7
BP 4667
EP 4675
DI 10.1039/c5sc04667j
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA DP7YL
UT WOS:000378715000086
ER
PT J
AU Wu, FT
Wang, SY
Fu, CB
Qian, Y
Gao, Y
Lee, DK
Cha, DH
Tang, JP
Hong, SY
AF Wu, Fu-Ting
Wang, Shu-Yu
Fu, Cong-Bin
Qian, Yun
Gao, Yang
Lee, Dong-Kyou
Cha, Dong-Hyun
Tang, Jian-Ping
Hong, Song-You
TI Evaluation and projection of summer extreme precipitation over East Asia
in the Regional Model Inter-comparison Project
SO CLIMATE RESEARCH
LA English
DT Article
DE Regional Model Inter-comparison Project; RMIP; Regional climate model;
Extreme precipitation; Consecutive dry days; Evaluation and future
projection; East Asia
ID CLIMATE-CHANGE; MONSOON PRECIPITATION; DRIVING GCM; CHINA; SIMULATION;
RESOLUTION; RCM; SCENARIO; DATASET; EVENTS
AB This study assesses the ability of 4 regional climate models (RCMs) from the Regional Model Inter-comparison Project (RMIP) and their regional multi-model ensemble, as well as their driving global climate model ECHAM5, to reproduce the summer extreme pre cipitation conditions in the years 1982 to 2000 and to project future (2052 to 2070) change over East Asian land areas under an A1B emission scenario. The results show that all models can adequately reproduce the spatial distribution of extreme heavy precipitation (R95P) with high spatial correlation (>0.8). However, they do not perform well in simulating summer consecutive dry days (CDD). The ensemble average of multi-RCMs substantially improve model capability to simulate summer precipitation in both total and extreme categories when compared to each individual RCM. For individual RCMs, the spread of regional differences is assessed by bias distribution. The RegCM3 model simulates less extreme precipitation, in agreement with ECHAM5. This is probably due to the lack of an internal nudge process. Composite analysis of large-scale water vapor transport and geopotential height indicate that simulated R95P biases are associated with a deficiency in capturing the low-level field. For the projection of extreme wet and dry conditions under A1B emissions, most of the models predict an overall increase in heavy precipitation and CDD over East Asia, which will enhance the risk of drought disasters in the future.
C1 [Wu, Fu-Ting; Wang, Shu-Yu; Fu, Cong-Bin; Tang, Jian-Ping] Nanjing Univ, Inst Climate & Global Change Res, Nanjing 210023, Jiangsu, Peoples R China.
[Wu, Fu-Ting; Wang, Shu-Yu; Fu, Cong-Bin; Tang, Jian-Ping] Nanjing Univ, Sch Atmospher Sci, Nanjing 210023, Jiangsu, Peoples R China.
[Wu, Fu-Ting; Wang, Shu-Yu; Fu, Cong-Bin] Jiangsu Collaborat Innovat Ctr Climate Change, Nanjing 210023, Jiangsu, Peoples R China.
[Qian, Yun; Gao, Yang] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Lee, Dong-Kyou] Seoul Natl Univ, Sch Earth & Environm Sci, Seoul 151742, South Korea.
[Cha, Dong-Hyun] Ulsan Natl Inst Sci & Technol, Sch Urban & Environm Engn, Ulsan 689798, South Korea.
[Hong, Song-You] Korea Inst Atmospher Predict Syst, Seoul 07071, South Korea.
RP Wang, SY (reprint author), Nanjing Univ, Inst Climate & Global Change Res, Nanjing 210023, Jiangsu, Peoples R China.; Wang, SY (reprint author), Nanjing Univ, Sch Atmospher Sci, Nanjing 210023, Jiangsu, Peoples R China.; Wang, SY (reprint author), Jiangsu Collaborat Innovat Ctr Climate Change, Nanjing 210023, Jiangsu, Peoples R China.
EM wsy@nju.edu.cn
RI qian, yun/E-1845-2011
FU Asia-Pacific Network for Global Change (APN) [ARCP2010_04CMY_WANG];
National Basic Research and Development (973) Program of China
[2011CB952004]; Jiangsu Collaborative Innovation Center for Climate
Change; Korea Meteorological Administration Research and Development
Program [CATER 2012-3084]; International Project Office (IPO) of the
Monsoon Asia Integrated Study (MAIRS); US Department of Energy's Office
of Science, Regional and Global Climate Modeling Program; Department of
Energy [DE-AC05-76RL01830]
FX This research was supported by the Asia-Pacific Network for Global
Change (APN) under project number ARCP2010_04CMY_WANG. This research was
also conducted with the support of the National Basic Research and
Development (973) Program of China under grant number 2011CB952004, the
Jiangsu Collaborative Innovation Center for Climate Change, and the
Korea Meteorological Administration Research and Development Program
under grant number CATER 2012-3084. The authors also thank the
International Project Office (IPO) of the Monsoon Asia Integrated Study
(MAIRS) for its support and assistance in the completion of this study.
The contributions of Y.Q. and Y.G. to this study were supported by the
US Department of Energy's Office of Science as part of the Regional and
Global Climate Modeling Program. The Pacific Northwest National
Laboratory was operated for the Department of Energy by the Battelle
Memorial Institute under contract number DE-AC05-76RL01830.
NR 47
TC 0
Z9 0
U1 6
U2 10
PU INTER-RESEARCH
PI OLDENDORF LUHE
PA NORDBUNTE 23, D-21385 OLDENDORF LUHE, GERMANY
SN 0936-577X
EI 1616-1572
J9 CLIM RES
JI Clim. Res.
PY 2016
VL 69
IS 1
BP 45
EP 58
DI 10.3354/cr01384
PG 14
WC Environmental Sciences; Meteorology & Atmospheric Sciences
SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences
GA DQ5LY
UT WOS:000379248100004
ER
PT J
AU Lin, KM
Tomsovic, K
Wan, QL
Dimitrovski, A
AF Lin, Keman
Tomsovic, Kevin
Wan, Qiulan
Dimitrovski, Aleksandar
TI A Study of Magnetic Amplifier-based Power Flow Controller for Power
System Stability Improvement
SO ELECTRIC POWER COMPONENTS AND SYSTEMS
LA English
DT Article
DE magnetic amplifier-based power flow controller; power system oscillation
damping; power systems CAD
ID DAMPING INTERAREA OSCILLATIONS; FAULT CURRENT LIMITER; FACTS DEVICES;
DESIGN; TCSC; PSS; STATCOM; SVC
AB This article presents a magnetic amplifier-based power flow controller as a new approach to control power flow based on a magnetically saturated reactor concept. The magnetic amplifier-based power flow controller uses the magnetic field as control medium to decrease the operating energy losses and increase system reliability. By providing continuous impedance, the magnetic amplifier-based power flow controller can suppress the inter-area oscillation and improve the system stability. A model of magnetic amplifier-based power flow controller is built and verified by lab experiments. A control strategy implementing the magnetic amplifier-based power flow controller is proposed to demonstrate the application of this new device to damp low-frequency oscillation in an interconnected power system. A comparative analysis of the controller's performance is carried out and incorporated with various input signals and multiple loading conditions. The simulations are conducted by power systems CAD (PSCAD, Manitoba Hydro International Ltd., Winnipeg, Canada). The results show the effectiveness of the controller in damping inter-area oscillations.
C1 [Lin, Keman; Wan, Qiulan] Southeast Univ, Sch Elect Engn, 2 Sipailou,Dongli Bldg,Room 115, Nanjing 210018, Jiangsu, Peoples R China.
[Tomsovic, Kevin] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN USA.
[Dimitrovski, Aleksandar] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN USA.
RP Wan, QL (reprint author), Southeast Univ, Sch Elect Engn, 2 Sipailou,Dongli Bldg,Room 115, Nanjing 210018, Jiangsu, Peoples R China.
EM qlwan@seu.edu.cn
FU U.S. Department of Energy [DE-AC05-00OR22725]; Engineering Research
Center Program of the National Science Foundation; Department of Energy
(NSF) [EEC-1041877]; CURENT Industry Partnership Program; China
Scholarship Council
FX This work was supported in part by the U.S. Department of Energy
(contract DE-AC05-00OR22725), in part by the Engineering Research Center
Program of the National Science Foundation and the Department of Energy
(NSF award number EEC-1041877), and by the CURENT Industry Partnership
Program. One author was funded by the China Scholarship Council as a
visiting scholar at University of Tennessee to research.
NR 18
TC 0
Z9 0
U1 3
U2 3
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 1532-5008
EI 1532-5016
J9 ELECTR POW COMPO SYS
JI Electr. Power Compon. Syst.
PY 2016
VL 44
IS 9
BP 966
EP 973
DI 10.1080/15325008.2015.1131770
PG 8
WC Engineering, Electrical & Electronic
SC Engineering
GA DQ2RN
UT WOS:000379050600002
ER
PT S
AU Tasseff, B
Bent, R
Van Hentenryck, P
AF Tasseff, Byron
Bent, Russell
Van Hentenryck, Pascal
BE Quimper, CG
TI Optimal Flood Mitigation over Flood Propagation Approximations
SO INTEGRATION OF AI AND OR TECHNIQUES IN CONSTRAINT PROGRAMMING, CPAIOR
2016
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 13th International Conference on Integration of Artificial Intelligence
and Operations Research Techniques in Constraint Programming (CPAIOR)
CY MAY 29-JUN 01, 2016
CL Banff, CANADA
DE Flood mitigation; Nonlinear programming; Mixed integer programming;
Approximations
ID MODEL
AB Globally, flooding is the most frequent among all natural disasters, commonly resulting in damage to infrastructure, economic catastrophe, and loss of life. Since the flow of water is influenced by the shape and height of topography, an effective mechanism for preventing and directing floods is to use structures that increase height, e.g., levees and sandbags. In this paper, we introduce the Optimal Flood Mitigation Problem (OFMP), which optimizes the positioning of barriers to protect critical assets with respect to a flood scenario. In its most accurate form, the OFMP is a challenging optimization problem that combines nonlinear partial differential equations with discrete barrier choices. The OFMP requires solutions that combine approaches from computational simulation and optimization. Herein, we derive linear approximations to the shallow water equations and embed them in the OFMP. Preliminary results demonstrate their effectiveness.
C1 [Tasseff, Byron; Bent, Russell] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Van Hentenryck, Pascal] Univ Michigan, Ann Arbor, MI 48109 USA.
RP Tasseff, B (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM btasseff@lanl.gov; rbent@lanl.gov; pvanhent@umich.edu
OI Bent, Russell/0000-0002-7300-151X
NR 11
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER INT PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
SN 0302-9743
BN 978-3-319-33954-2; 978-3-319-33953-5
J9 LECT NOTES COMPUT SC
PY 2016
VL 9676
BP 358
EP 373
DI 10.1007/978-3-319-33954-2_26
PG 16
WC Computer Science, Artificial Intelligence; Computer Science, Theory &
Methods
SC Computer Science
GA BF0KH
UT WOS:000378993700026
ER
PT J
AU Ranaweera, CK
Wang, Z
Alqurashi, E
Kahol, PK
Dvornic, PR
Gupta, BK
Ramasamy, K
Mohite, AD
Gupta, G
Gupta, RK
AF Ranaweera, C. K.
Wang, Z.
Alqurashi, Esam
Kahol, P. K.
Dvornic, P. R.
Gupta, Bipin Kumar
Ramasamy, Karthik
Mohite, Aditya D.
Gupta, Gautam
Gupta, Ram K.
TI Highly stable hollow bifunctional cobalt sulfides for flexible
supercapacitors and hydrogen evolution
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID REDUCED GRAPHENE OXIDE; ELECTRODE MATERIALS; TUNGSTEN DISULFIDE; CARBON
NANOTUBES; ENERGY-STORAGE; PERFORMANCE; CATALYSTS; NANOSHEETS; COS2;
FABRICATION
AB Hollow structures of NiAs-type cobalt sulfide have been synthesized by a facile hydrothermal method. These hollow structured cobalt sulfides exhibit excellent electrochemical properties for supercapacitor applications (867 F g(-1)) and respectable hydrogen evolution activity. The symmetrical supercapacitor device fabricated using cobalt sulfide nanostructures showed an areal capacitance of 260 mF cm(-2) with good flexibility and high temperature stability. The specific capacitance of the supercapacitor is enhanced over 150%, when the temperature is increased from 10 to 70 degrees C.
C1 [Ranaweera, C. K.; Wang, Z.; Alqurashi, Esam; Dvornic, P. R.; Gupta, Ram K.] Pittsburg State Univ, Dept Chem, 1701 S Broadway, Pittsburg, KS 66762 USA.
[Kahol, P. K.] Pittsburg State Univ, Dept Phys, 1701 S Broadway, Pittsburg, KS 66762 USA.
[Gupta, Bipin Kumar] CSIR, Natl Phys Lab, Dr KS Krishnan Rd, New Delhi 110012, India.
[Ramasamy, Karthik] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA.
[Mohite, Aditya D.; Gupta, Gautam] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
RP Gupta, RK (reprint author), Pittsburg State Univ, Dept Chem, 1701 S Broadway, Pittsburg, KS 66762 USA.
EM ramguptamsu@gmail.com
FU Polymer Chemistry Initiative, Pittsburg State University; National
Science Foundation [EPS-0903806]; Department of Energy
FX Dr Ram K. Gupta expresses his sincere acknowledgment to the Polymer
Chemistry Initiative, Pittsburg State University for providing financial
and research support. This material is partly 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. Dr Ram K. Gupta acknowledges support from the Department of
Energy for Visiting Faculty Program. The authors thank Dr Lifeng Dong
for recording SEM/EDX. Dr G. Gupta and A. Mohite acknowledge Los Alamos
LDRD.
NR 39
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Z9 6
U1 29
U2 50
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 2016
VL 4
IS 23
BP 9014
EP 9018
DI 10.1039/c6ta03158g
PG 5
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA DQ1FP
UT WOS:000378947200011
ER
PT J
AU Bo, SH
Wang, Y
Ceder, G
AF Bo, Shou-Hang
Wang, Yan
Ceder, Gerbrand
TI Structural and Na-ion conduction characteristics of Na3PSxSe4-x
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID GLASS-CERAMIC ELECTROLYTES; CRYSTAL-STRUCTURE; BATTERIES; CATHODE;
DESIGN
AB The recent discovery of the isostructrual cubic Na3PS4 and Na3PSe4 as fast Na-ion conductors provided a general structural framework for the exploration of new sodium superionic conductors. In this work, we systematically investigated the structures and ionic conduction characteristics of a series of compounds with the general chemical formula of Na3PSxSe4-x. Synthesis of Na3PS4 under different conditions (e.g., temperature, reaction vessel, mass of the precursors) reveals the reactivity of the precursors with the reaction tubes, producing different polymorphs. X-ray diffraction studies on the solid solution phases Na3PSxSe4-x identified a tetragonal-to-cubic phase transition with increasing Se concentration. This observation is consistent with the computed stability of the tetragonal and cubic polymorphs, where the energy difference between the two polymorphs becomes very close to zero in Se-rich compositions. Furthermore, ab initio molecular dynamic simulations suggest that the fast Na-ion conduction in Na3PSxSe4-x may not be causally related with the symmetry or the composition of these phases. The formation of defects, instead, enables fast Na-ion conduction in this class of materials.
C1 [Bo, Shou-Hang; Wang, Yan; Ceder, Gerbrand] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA.
[Bo, Shou-Hang; Ceder, Gerbrand] Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.
[Ceder, Gerbrand] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
RP Ceder, G (reprint author), MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA.; Ceder, G (reprint author), Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.; Ceder, G (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
EM gceder@berkeley.edu
FU Samsung Advanced Institute of Technology; U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357];
Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231];
Extreme Science and Engineering Discovery Environment (XSEDE) by
National Science Foundation [ACI-1053575]
FX This work was supported by the Samsung Advanced Institute of 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, under Contract No. DE-AC02-06CH11357.
Computational resources from the National Energy Research Scientific
Computing Center (NERSC), a DOE Office of Science User Facility
supported by the Office of Science of the U.S. Department of Energy
under Contract No. DE-AC02-05CH11231, and from the Extreme Science and
Engineering Discovery Environment (XSEDE, which is supported by National
Science Foundation grant number ACI-1053575) are gratefully
acknowledged.
NR 27
TC 2
Z9 2
U1 18
U2 34
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 2016
VL 4
IS 23
BP 9044
EP 9053
DI 10.1039/c6ta03027k
PG 10
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA DQ1FP
UT WOS:000378947200015
ER
PT J
AU Gao, H
Lian, K
AF Gao, Han
Lian, Keryn
TI A H5BW12O40-polyvinyl alcohol polymer electrolyte and its application in
solid supercapacitors
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID HETEROPOLY ACID ELECTROLYTES; DOUBLE-LAYER CAPACITORS; ELECTROCHEMICAL
CAPACITORS; 12-TUNGSTOPHOSPHORIC ACID; DODECATUNGSTOSILICIC ACID; X-RAY;
CONDUCTIVITY; NMR; TRANSPORT; BEHAVIOR
AB A polymer electrolyte comprised of H5BW12O40 (BWA) and cross-linked polyvinyl alcohol (BWA-XLPVA) has been developed and characterized for solid supercapacitors. The performance of this polymer electrolyte was compared to that of a known polymer electrolyte based on H4SiW12O40 (SiWA). An enhanced proton conductivity was observed for BWA-XLPVA compared to its SiWA counterpart, especially under low humidity conditions (5% RH). Dielectric analyses revealed an increase of proton density and proton mobility in the BWA-based electrolyte. A solid-state H-1 NMR study showed that all protons in the BWA-based electrolyte were hydrated in the low humidity environment. This indicated that BWA had more crystallized water content than SiWA, resulting in higher proton mobility in the PVA matrix. An in situ tracking of electrode potential in solid supercapacitors was utilized to identify the reactions and the factors limiting solid supercapacitor cell voltage for both BWA-and SiWA-based polymer electrolyte systems. A solid device leveraging the BWA-based polymer electrolyte achieved a cell voltage of 1.3 V, 0.2 V wider than that of a SiWA-based device.
C1 [Gao, Han; Lian, Keryn] Univ Toronto, Dept Mat Sci & Engn, Toronto, ON M5S 3E4, Canada.
[Gao, Han] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Lian, K (reprint author), Univ Toronto, Dept Mat Sci & Engn, Toronto, ON M5S 3E4, Canada.
EM keryn.lian@utoronto.ca
FU NSERC Canada; NSERC
FX We appreciate the financial support from NSERC Canada. H. Gao would like
to acknowledge the NSERC Alexander Graham Bell Canada Graduate
Scholarship and Hatch Graduate Scholarships for Sustainable Energy
Research. We also thank Dr Sergiy Nokhrin of the Department of Chemistry
at the University of Toronto for the help in solid-state NMR
measurements.
NR 42
TC 1
Z9 1
U1 3
U2 3
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
EI 2050-7496
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2016
VL 4
IS 24
BP 9585
EP 9592
DI 10.1039/c6ta03196j
PG 8
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA DQ1FK
UT WOS:000378946700030
ER
PT J
AU Das, S
Gu, G
Joshi, PC
Yang, B
Aytug, T
Rouleau, CM
Geohegan, DB
Xiao, K
AF Das, Sanjib
Gu, Gong
Joshi, Pooran C.
Yang, Bin
Aytug, Tolga
Rouleau, Christopher M.
Geohegan, David B.
Xiao, Kai
TI Low thermal budget, photonic-cured compact TiO2 layers for
high-efficiency perovskite solar cells
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID PRINTED ELECTRONICS; GROWTH; FILMS; AIR
AB Rapid advances in organometallic trihalide perovskite solar cells (PSCs) have positioned them to be one of the leading next generation photovoltaic technologies. However, most of the high-performance PSCs, particularly those using compact TiO2 as an electron transport layer, require a high-temperature sintering step, which is not compatible with flexible polymer-based substrates. Considering the materials of interest for PSCs and corresponding device configurations, it is technologically imperative to fabricate high-efficiency cells at low thermal budget so that they can be realized on low-temperature plastic substrates. We report on a new photonic curing technique that produces crystalline anatase-phase TiO2 films on indium tin oxide-coated glass and flexible polyethylene terephthalate (PET) substrates. The planar PSCs, using photonic-cured TiO2 films, exhibit PCEs as high as 15.0% and 11.2% on glass and flexible PET substrates, respectively, comparable to the device performance of PSCs incorporating furnace annealed TiO2 films.
C1 [Das, Sanjib; Gu, Gong] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA.
[Joshi, Pooran C.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Yang, Bin; Rouleau, Christopher M.; Geohegan, David B.; Xiao, Kai] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Aytug, Tolga] Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA.
[Aytug, Tolga] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA.
RP Xiao, K (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
EM xiaok@ornl.gov
RI Yang, Bin/P-8529-2014; Geohegan, David/D-3599-2013; Das,
Sanjib/A-9255-2017
OI Yang, Bin/0000-0002-5667-9126; Geohegan, David/0000-0003-0273-3139; Das,
Sanjib/0000-0002-5281-4458
FU Oak Ridge National Laboratory
FX This research was conducted at the Center for Nanophase Materials
Sciences (CNMS), which is a DOE Office of Science User Facility. S. D.,
P. J., and T. A. acknowledge support provided by a Laboratory Directed
Research and Development award from Oak Ridge National Laboratory.
NR 29
TC 4
Z9 4
U1 12
U2 17
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 2016
VL 4
IS 24
BP 9685
EP 9690
DI 10.1039/c6ta02105k
PG 6
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA DQ1FK
UT WOS:000378946700041
ER
PT J
AU Davenport, GC
Hittner, JB
Otieno, V
Karim, Z
Mukundan, H
Fenimore, PW
Hengartner, NW
McMahon, BH
Kempaiah, P
Ong'echa, JM
Perkins, DJ
AF Davenport, Gregory C.
Hittner, James B.
Otieno, Vincent
Karim, Zachary
Mukundan, Harshini
Fenimore, Paul W.
Hengartner, Nicolas W.
McMahon, Benjamin H.
Kempaiah, Prakasha
Ong'echa, John M.
Perkins, Douglas J.
TI Reduced Parasite Burden in Children with Falciparum Malaria and
Bacteremia Coinfections: Role of Mediators of Inflammation
SO MEDIATORS OF INFLAMMATION
LA English
DT Article
ID TUMOR-NECROSIS-FACTOR; MIGRATION INHIBITORY FACTOR; STAGE
PLASMODIUM-CHABAUDI; INCREASED SEVERE ANEMIA; FACTOR-ALPHA; IN-VITRO;
INTERFERON-GAMMA; WESTERN KENYA; NITRIC-OXIDE; CYTOKINE PROFILE
AB Bacteremia and malaria coinfection is a common and life-threatening condition in children residing in sub-Saharan Africa. We previously showed that coinfection with Gram negative (G[-]) enteric Bacilli and Plasmodium falciparum (Pf[+]) was associated with reduced high-density parasitemia (HDP, >10,000 parasites/mu L), enhanced respiratory distress, and severe anemia. Since inflammatory mediators are largely unexplored in such coinfections, circulating cytokines were determined in four groups of children (n = 206, aged <3 yrs): healthy; Pf[+] alone; G[-] coinfected; and G[+] coinfected. Staphylococcus aureus and non-Typhi Salmonella were the most frequently isolated G[+] and G[-] organisms, respectively. Coinfected children, particularly those with G[-] pathogens, had lower parasite burden (peripheral and geometric mean parasitemia and HDP). In addition, both coinfected groups had increased IL-4, IL-5, IL-7, IL-12, IL-15, IL-17, IFN-gamma, and IFN-alpha and decreased TNF-alpha relative to malaria alone. Children with G[-] coinfection had higher IL-1 beta and IL-1Ra and lower IL-10 than the Pf[+] group and higher IFN-gamma than the G[+] group. To determine how the immune response to malaria regulates parasitemia, cytokine production was investigated with a multiple mediation model. Cytokines with the greatest mediational impact on parasitemia were IL-4, IL-10, IL-12, and IFN-gamma. Results here suggest that enhanced immune activation, especially in G[-] coinfected children, acts to reduce malaria parasite burden.
C1 [Davenport, Gregory C.] Univ Pittsburgh, Grad Sch Publ Hlth, Dept Infect Dis & Microbiol, Pittsburgh, PA 15261 USA.
[Davenport, Gregory C.; Karim, Zachary; Kempaiah, Prakasha; Perkins, Douglas J.] Univ New Mexico, Sch Med, Dept Internal Med, Ctr Global Hlth,Div Infect Dis, Albuquerque, NM 87131 USA.
[Hittner, James B.] Coll Charleston, Dept Psychol, Charleston, SC 29401 USA.
[Otieno, Vincent; Ong'echa, John M.; Perkins, Douglas J.] Univ New Mexico, Kenya Med Res Inst, KEMRI Labs Parasit & Viral Dis, Ctr Global Hlth Res, Kisumu, Kenya.
[Mukundan, Harshini] Los Alamos Natl Lab, Div Chem, Los Alamos, NM USA.
[Fenimore, Paul W.; Hengartner, Nicolas W.; McMahon, Benjamin H.] Los Alamos Natl Lab, Div Theoret, Theoret Biol Grp, Los Alamos, NM USA.
RP Perkins, DJ (reprint author), Univ New Mexico, Sch Med, Dept Internal Med, Ctr Global Hlth,Div Infect Dis, Albuquerque, NM 87131 USA.; Perkins, DJ (reprint author), Univ New Mexico, Kenya Med Res Inst, KEMRI Labs Parasit & Viral Dis, Ctr Global Hlth Res, Kisumu, Kenya.
EM dperkins@salud.unm.edu
FU NIH [R01AI051305, D43TW005884]; Los Alamos National Laboratory,
Laboratory Directed Research Development
FX The authors thank Gregory C. Davenport for his dedication and he is
dearly missed. His departure is truly a loss to the scientific
community, both personally and professionally. The authors are grateful
to the parents, guardians, and children from the Siaya County community
for their participation in the study. The authors also thank all the
University of New Mexico-KEMRI staff and the Siaya County Referral
Hospital staff for their support during this study. We also wish to
thank the Director of KEMRI for approving this paper for publication.
This work was supported by NIH Grants R01AI051305 (Douglas J. Perkins)
and D43TW005884 (Douglas J. Perkins) and Los Alamos National Laboratory,
Laboratory Directed Research & Development (Benjamin H. McMahon,
Harshini Mukundan, and Douglas J. Perkins).
NR 68
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Z9 0
U1 1
U2 1
PU HINDAWI PUBLISHING CORP
PI NEW YORK
PA 315 MADISON AVE 3RD FLR, STE 3070, NEW YORK, NY 10017 USA
SN 0962-9351
EI 1466-1861
J9 MEDIAT INFLAMM
JI Mediat. Inflamm.
PY 2016
AR 4286576
DI 10.1155/2016/4286576
PG 14
WC Cell Biology; Immunology
SC Cell Biology; Immunology
GA DQ2SS
UT WOS:000379053900001
ER
PT J
AU Cao, YF
Terebus, A
Liang, J
AF Cao, Youfang
Terebus, Anna
Liang, Jie
TI ACCURATE CHEMICAL MASTER EQUATION SOLUTION USING MULTI-FINITE BUFFERS
SO MULTISCALE MODELING & SIMULATION
LA English
DT Article
DE chemical master equation; stochastic biological networks; state space
truncation; steady state probability landscape; time-evolving
probability landscapes; first passage time distribution
ID GENE REGULATORY NETWORKS; PROTEIN-KINASE CASCADE; PHAGE-LAMBDA;
BACTERIOPHAGE-LAMBDA; ESCHERICHIA-COLI; STATE; STOCHASTICITY;
BISTABILITY; MECHANISM; KINETICS
AB The discrete chemical master equation (dCME) provides a fundamental framework for studying stochasticity in mesoscopic networks. Because of the multiscale nature of many networks where reaction rates have a large disparity, directly solving dCMEs is intractable due to the exploding size of the state space. It is important to truncate the state space effectively with quantified errors, so accurate solutions can be computed. It is also important to know if all major probabilistic peaks have been computed. Here we introduce the accurate CME (ACME) algorithm for obtaining direct solutions to dCMEs. With multifinite buffers for reducing the state space by O(n!), exact steady-state and time-evolving network probability landscapes can be computed. We further describe a theoretical framework of aggregating microstates into a smaller number of macrostates by decomposing a network into independent aggregated birth and death processes and give an a priori method for rapidly determining steady-state truncation errors. The maximal sizes of the finite buffers for a given error tolerance can also be precomputed without costly trial solutions of dCMEs. We show exactly computed probability landscapes of three multiscale networks, namely, a 6-node toggle switch, 11-node phage-lambda epigenetic circuit, and 16-node MAPK cascade network, the latter two with no known solutions. We also show how probabilities of rare events can be computed from first-passage times, another class of unsolved problems challenging for simulation-based techniques due to large separations in time scales. Overall, the ACME method enables accurate and efficient solutions of the dCME for a large class of networks.
C1 [Cao, Youfang; Terebus, Anna; Liang, Jie] Univ Illinois, Dept Bioengn, Chicago, IL 60607 USA.
[Cao, Youfang] Los Alamos Natl Lab, Ctr Nonlinear Studies CNLS, Los Alamos, NM 87545 USA.
[Cao, Youfang] Los Alamos Natl Lab, Theoret Biol & Biophys T 6, Los Alamos, NM 87545 USA.
RP Liang, J (reprint author), Univ Illinois, Dept Bioengn, Chicago, IL 60607 USA.
EM ycao@lanl.gov; anna.terebus@gmail.com; jliang@uic.edu
FU NIH [GM079804]; NSF [MCB1415589]; Chicago Biomedical Consortium; Searle
Funds at The Chicago Community Trust; U.S. Department of Energy through
the LANL/LDRD Program
FX This work was supported by NIH grant GM079804, NSF grant MCB1415589, and
the Chicago Biomedical Consortium with support from the Searle Funds at
The Chicago Community Trust.; This author gratefully acknowledges the
support of the U.S. Department of Energy through the LANL/LDRD Program
for this work.
NR 84
TC 3
Z9 3
U1 1
U2 1
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 1540-3459
EI 1540-3467
J9 MULTISCALE MODEL SIM
JI Multiscale Model. Simul.
PY 2016
VL 14
IS 2
BP 923
EP 963
DI 10.1137/15M1034180
PG 41
WC Mathematics, Interdisciplinary Applications; Physics, Mathematical
SC Mathematics; Physics
GA DQ6ZS
UT WOS:000379356600013
PM 27761104
ER
PT B
AU Shi, L
Tien, M
Fredrickson, JK
Zachara, JM
Rosso, KM
AF Shi, Liang
Tien, Ming
Fredrickson, James K.
Zachara, John M.
Rosso, Kevin M.
BE Louro, RO
DiazMoreno, I
TI Microbial Redox Proteins and Protein Complexes for Extracellular
Respiration
SO REDOX PROTEINS IN SUPERCOMPLEXES AND SIGNALOSOMES
SE Series on Biophysics
LA English
DT Article; Book Chapter
ID SHEWANELLA-ONEIDENSIS MR-1; C-TYPE CYTOCHROME; OUTER-MEMBRANE
CYTOCHROMES; FE(III) OXIDE REDUCTION; RHODOPSEUDOMONAS-PALUSTRIS TIE-1;
CONDUCTIVE BACTERIAL NANOWIRES; METAL-REDUCING MICROORGANISM;
ELECTRON-TRANSFER REACTIONS; II SECRETION SYSTEM; SP HRCR-1 BIOFILMS
C1 [Shi, Liang; Fredrickson, James K.; Zachara, John M.; Rosso, Kevin M.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Tien, Ming] Penn State Univ, University Pk, PA 16802 USA.
RP Shi, L (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
NR 149
TC 2
Z9 2
U1 3
U2 3
PU CRC PRESS-TAYLOR & FRANCIS GROUP
PI BOCA RATON
PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA
BN 978-1-4822-5111-1; 978-1-4822-5110-4
J9 SER BIOPHYS
PY 2016
BP 187
EP 216
PG 30
WC Biochemistry & Molecular Biology; Biophysics; Cell Biology
SC Biochemistry & Molecular Biology; Biophysics; Cell Biology
GA BF0KQ
UT WOS:000379003100009
ER
PT J
AU Ugur, G
Akgun, B
Jiang, Z
Narayanan, S
Satija, S
Foster, MD
AF Ugur, Gokce
Akgun, Bulent
Jiang, Zhang
Narayanan, Suresh
Satija, Sushil
Foster, Mark D.
TI Effect of tethering on the surface dynamics of a thin polymer melt layer
SO SOFT MATTER
LA English
DT Article
ID GLASS-TRANSITION TEMPERATURE; BRUSH; FILMS; FLUORESCENCE; EQUIVALENCE;
POLYSTYRENE; ADSORPTION; WAVES
AB The surface height fluctuations of a layer of low molecular weight (2.2k) untethered perdeuterated polystyrene (dPS) chains adjacent to a densely grafted polystyrene brush are slowed dramatically. Due to the interpenetration of the brush with the layer of "untethered chains" a hydrodynamic continuum theory can only describe the fluctuations when the effective thickness of the film is taken to be that which remains above the swollen brush. The portion of the film of initially untethered chains that interpenetrates with the brush becomes so viscous as to effectively play the role of a rigid substrate. Since these hybrid samples containing a covalently tethered layer at the bottom do not readily dewet, and are more robust than thin layers of untethered short chains on rigid substrates, they provide a route for tailoring polymer layer surface properties such as wetting, adhesion and friction.
C1 [Ugur, Gokce] Arcelik AS Tuzla, Mat Technol, Cent R&D, TR-34950 Istanbul, Turkey.
[Akgun, Bulent] Bogazici Univ, Dept Chem, TR-34342 Istanbul, Turkey.
[Jiang, Zhang; Narayanan, Suresh] Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Satija, Sushil] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA.
[Foster, Mark D.] Univ Akron, Dept Polymer Sci, Akron, OH 44325 USA.
RP Akgun, B (reprint author), Bogazici Univ, Dept Chem, TR-34342 Istanbul, Turkey.; Foster, MD (reprint author), Univ Akron, Dept Polymer Sci, Akron, OH 44325 USA.
EM bulent.akgun@boun.edu.tr; mfoster@uakron.edu
RI Akgun, Bulent/H-3798-2011
FU American Chemical Society Petroleum Research Fund [AC7-42995]; Bogazici
University [B.U. 9080]; US Department of Energy, Office of Science,
Office of Basic Energy Science [DE-AC02-06CH11357]
FX BA, GU and MDF acknowledge the assistance of Scott Collins in performing
air sensitive synthetic steps and partial support made by the donors of
The American Chemical Society Petroleum Research Fund (AC7-42995) and
Bogazici University Research Fund (B.U. 9080) for this research. The use
of the Advanced Photon Source was supported by the US Department of
Energy, Office of Science, Office of Basic Energy Science, under
Contract No. DE-AC02-06CH11357.
NR 28
TC 2
Z9 2
U1 5
U2 5
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 2016
VL 12
IS 24
BP 5372
EP 5377
DI 10.1039/c6sm00179c
PG 6
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA DQ1AZ
UT WOS:000378934400014
PM 27222250
ER
PT J
AU Martin, JE
AF Martin, James E.
TI On the origin of vorticity in magnetic particle suspensions subjected to
triaxial fields
SO SOFT MATTER
LA English
DT Article
ID FLUIDS
AB We have recently reported that two classes of time-dependent triaxial magnetic fields can induce vorticity in magnetic particle suspensions. The first class - symmetry - breaking fields - is comprised of two ac components and one dc component. The second class - rational triad fields - is comprised of three ac components. In both cases deterministic vorticity occurs when the ratios of the field frequencies form rational numbers. A strange aspect of these fields is that they produce fluid vorticity without generally having a circulating field vector, such as would occur in a rotating field. It has been shown, however, that the symmetry of the field trajectory, considered jointly with that of the converse field, allows vorticity to occur around one particular field axis. This axis might be any of the field components, and is determined by the relative frequencies of the field components. However, the symmetry theories give absolutely no insight into why vorticity should occur. In this paper we propose a particle-based model of vorticity in these driven fluids. This model proposes that particles form volatile chains that follow, but lag behind, the dynamic field vector. This model is consistent with the predictions of symmetry theory and gives reasonable agreement with previously reported torque density measurements for a variety of triaxial fields.
C1 [Martin, James E.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
RP Martin, JE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; Laboratory-Directed Research and Development (LDRD)
office at Sandia National Laboratories
FX Sandia National Laboratories is a multi-program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration under contract DE-AC04-94AL85000. This work was
supported by the Laboratory-Directed Research and Development (LDRD)
office at Sandia National Laboratories.
NR 17
TC 1
Z9 1
U1 2
U2 3
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 2016
VL 12
IS 25
BP 5636
EP 5644
DI 10.1039/c6sm00557h
PG 9
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA DQ1BF
UT WOS:000378935000016
PM 27263641
ER
PT J
AU Paller, MH
Prusha, BA
Fletcher, DE
Kosnicki, E
Sefick, SA
Jarrell, MS
Sterrett, SC
Grosse, AM
Tuberville, TD
Feminella, JW
AF Paller, Michael H.
Prusha, Blair A.
Fletcher, Dean E.
Kosnicki, Ely
Sefick, Stephen A.
Jarrell, Miller S.
Sterrett, Sean C.
Grosse, Andrew M.
Tuberville, Tracey D.
Feminella, Jack W.
TI Factors Influencing Stream Fish Species Composition and Functional
Properties at Multiple Spatial Scales in the Sand Hills of the
Southeastern United States
SO TRANSACTIONS OF THE AMERICAN FISHERIES SOCIETY
LA English
DT Article
ID COASTAL-PLAIN STREAMS; ASSEMBLAGE STRUCTURE; BIOTIC INTEGRITY;
LONGITUDINAL PATTERNS; BLACKWATER RIVER; COMMUNITIES; USA; DIVERSITY;
INDEX; HOMOGENIZATION
AB An understanding of how fish communities differ among river basin, watershed, and stream reach spatial scales and the factors that influence these differences can help in the design of effective conservation programs and the development of reference models that appropriately represent biota under relatively undisturbed conditions. We assessed the heterogeneity among fish assemblages in first-to fourth-order stream sites from four river basins ( Savannah, Chattahoochee, Cape Fear, and Pee Dee rivers) within the Sand Hills ecoregion of the southeastern USA and compared it with the heterogeneity associated with watershed and stream reach spatial scales. Fifty-five species of fish representing 15 families were collected by electrofishing, with the most speciose families being Cyprinidae, Centrarchidae, Percidae, Ictaluridae, and Catostomidae. Constrained ordination identified clearly demarcated species assemblages among river basins as well as subbasin environmental variables that affected fish species composition; the amounts of variance attributable to basin, watershed, and stream reach spatial scales were roughly equivalent. Prominent differences occurred between Gulf of Mexico coast and Atlantic coast river basins, but differences among Atlantic coast basins were also apparent. Key variables at the watershed scale included watershed size, relief, extent of anthropogenic disturbance, and forest cover; key variables at the stream reach scale included instream habitat quality, proximity to a larger stream, and stream width. Fish assemblage collective and functional properties were more strongly influenced by variables acting at watershed and stream reach spatial scales than by differences among basins. Species richness peaked at intermediate levels of habitat quality as a likely result of biotic homogenization, indicating that the least disturbed sites within the region do not necessarily possess the highest species richness. Failure to consider this may lead to the overrating of moderately disturbed sites and the underrating of minimally disturbed sites, thus contributing to false conclusions about fish assemblage integrity.
C1 [Paller, Michael H.; Fletcher, Dean E.; Grosse, Andrew M.; Tuberville, Tracey D.] Savannah River Ecol Lab, 227 Gateway Dr, Aiken, SC 29802 USA.
[Prusha, Blair A.] Midwest Biodivers Inst, 5530 Olentangy River Rd, Columbus, OH 43235 USA.
[Kosnicki, Ely; Sefick, Stephen A.; Jarrell, Miller S.; Feminella, Jack W.] Auburn Univ, Dept Biol Sci, 331 Funchess Hall, Auburn, AL 36849 USA.
[Kosnicki, Ely] State Univ New York, Coll Brockport, Dept Environm Sci & Biol, 350 New Campus Dr, Brockport, NY 14420 USA.
[Sterrett, Sean C.] Univ Georgia, Warnell Sch Forestry & Nat Resources, 180 East Green St, Athens, GA 30602 USA.
RP Paller, MH (reprint author), Savannah River Ecol Lab, 227 Gateway Dr, Aiken, SC 29802 USA.
EM michael.paller@srnl.doe.gov
FU U.S. Department of Defense through Strategic Environmental Research and
Development Program [RC-1694]
FX This research was supported by the U.S. Department of Defense through
the Strategic Environmental Research and Development Program (Project
RC-1694). We thank Department of Defense natural resource managers in
Fort Benning, Fort Bragg, and Fort Gordon, with special thanks to Hugh
Westbury, Charles Bryan, and Robert Drumm. Appreciation is also extended
to Colby Farrow for assisting with field sampling and to Bud Freeman for
assisting with fish taxonomy. We are grateful to the anonymous
reviewers, whose comments substantially improved this manuscript.
NR 61
TC 1
Z9 1
U1 5
U2 8
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0002-8487
EI 1548-8659
J9 T AM FISH SOC
JI Trans. Am. Fish. Soc.
PY 2016
VL 145
IS 3
BP 545
EP 562
DI 10.1080/00028487.2015.1135190
PG 18
WC Fisheries
SC Fisheries
GA DQ2UL
UT WOS:000379058600009
ER
PT J
AU LaBarge, MA
Mora-Blanco, EL
Samson, S
Miyano, M
AF LaBarge, Mark A.
Mora-Blanco, E. Lorena
Samson, Susan
Miyano, Masaru
TI Breast Cancer beyond the Age of Mutation
SO GERONTOLOGY
LA English
DT Article
DE Breast cancer; Aging; Microenvironment; Epigenetics
ID MAMMARY EPITHELIAL-CELLS; SOMATIC MUTATIONS; GENE-EXPRESSION;
COLORECTAL-CANCER; TUMOR-CELLS; STEM-CELLS; RISK; MICROENVIRONMENT;
METHYLATION; GENOME
AB Age is the greatest risk factor for breast cancer, but the reasons underlying this association are unclear. While there is undeniably a genetic component to all cancers, the accumulation of mutations with age is insufficient to explain the age-dependent increase in breast cancer incidence. In this viewpoint, we propose a multilevel framework to better understand the respective roles played by somatic mutation, microenvironment, and epigenetics making women more susceptible to breast cancer with age. The process of aging is associated with gradual breast tissue changes that not only corrupt the tumor-suppressive activity of normal tissue but also impose age-specific epigenetic changes that alter gene expression, thus reinforcing cellular phenotypes that are associated with a continuum of age-related tissue micro-environments. The evidence discussed here suggests that while the riddle of whether epigenetics drives microenvironmental changes, or whether changes in the microenvironment alter heritable cellular memory has not been solved, a path has been cleared enabling functional analysis leading to the prediction of key nodes in the network that link the microenvironment with the epigenome. The hypothesis that the accumulation of somatic mutations with age drives the age-related increase in breast cancer incidence, if correct, has a somewhat nihilistic conclusion, namely that cancers will be impossible to avoid. Alternatively, if microenvironment-driven epigenetic changes are the key to explaining susceptibility to age-related breast cancers, then there is hope that primary prevention is possible because epigenomes are relatively malleable. (C) 2015 The Author(s) Published by S. Karger AG, Basel
C1 [LaBarge, Mark A.; Mora-Blanco, E. Lorena; Miyano, Masaru] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA.
[Samson, Susan] Univ Calif San Francisco, Breast Oncol Program, BSAC, San Francisco, CA 94143 USA.
RP LaBarge, MA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS977, Berkeley, CA 94720 USA.
EM MALabarge@lbl.gov
FU National Institutes of Aging [NIA R01AG040081]; California Breast Cancer
Research Program; Anita Tarr Turk Fund for Breast Cancer Research
[20IB-0109]; Era of Hope Scholar Award from Congressionally Directed
Medical Research Program's Breast Cancer Research Program [BC141351]
FX We are grateful for the generous support received from the National
Institutes of Aging (NIA R01AG040081), the California Breast Cancer
Research Program and Anita Tarr Turk Fund for Breast Cancer Research
(20IB-0109), and the Era of Hope Scholar Award (BC141351) from the
Congressionally Directed Medical Research Program's Breast Cancer
Research Program.
NR 63
TC 1
Z9 1
U1 0
U2 0
PU KARGER
PI BASEL
PA ALLSCHWILERSTRASSE 10, CH-4009 BASEL, SWITZERLAND
SN 0304-324X
EI 1423-0003
J9 GERONTOLOGY
JI Gerontology
PY 2016
VL 62
IS 4
BP 434
EP 442
DI 10.1159/000441030
PG 9
WC Geriatrics & Gerontology
SC Geriatrics & Gerontology
GA DP1NY
UT WOS:000378257900008
PM 26539838
ER
PT J
AU McMillan, H
Montanari, A
Cudennec, C
Savenije, H
Kreibich, H
Krueger, T
Liu, J
Mejia, A
Van Loon, A
Aksoy, H
Di Baldassarre, G
Huang, Y
Mazvimavi, D
Rogger, M
Sivakumar, B
Bibikova, T
Castellarin, A
Chen, YB
Finger, D
Gelfan, A
Hannah, DM
Hoekstra, AY
Li, HY
Maskey, S
Mathevet, T
Mijic, A
Acuna, AP
Polo, MJ
Rosales, V
Smith, P
Viglione, A
Srinivasan, V
Toth, E
Van Nooyen, R
Xia, J
AF McMillan, Hilary
Montanari, Alberto
Cudennec, Christophe
Savenije, Hubert
Kreibich, Heidi
Krueger, Tobias
Liu, Junguo
Mejia, Alfonso
Van Loon, Anne
Aksoy, Hafzullah
Di Baldassarre, Giuliano
Huang, Yan
Mazvimavi, Dominc
Rogger, Magdalena
Sivakumar, Bellie
Bibikova, Tatiana
Castellarin, Attilio
Chen, Yangbo
Finger, David
Gelfan, Alexander
Hannah, David M.
Hoekstra, Arjen Y.
Li, Hongyi
Maskey, Shreedhar
Mathevet, Thibault
Mijic, Ana
Pedrozo Acuna, Adrian
Polo, Maria J.
Rosales, Victor
Smith, Paul
Viglione, Alberto
Srinivasan, Veena
Toth, Elena
Van Nooyen, Ronald
Xia, Jun
TI Panta Rhei 2013-2015: global perspectives on hydrology, society and
change
SO HYDROLOGICAL SCIENCES JOURNAL-JOURNAL DES SCIENCES HYDROLOGIQUES
LA English
DT Article
DE Panta Rhei; hydrological decade; socio-hydrology; climate change; human
impacts; global hydrology; water resources; water security; society
ID WATER-RESOURCES MANAGEMENT; RIVER-BASIN; CLIMATE-CHANGE; FLOOD RISK;
BIAS CORRECTION; EXTREME FLOOD; ENERGY NEXUS; TIME-SERIES; WASTE-WATER;
JUNE 2013
AB In 2013, the International Association of Hydrological Sciences (IAHS) launched the hydrological decade 2013-2022 with the theme "Panta Rhei: Change in Hydrology and Society". The decade recognizes the urgency of hydrological research to understand and predict the interactions of society and water, to support sustainable water resource use under changing climatic and environmental conditions. This paper reports on the first Panta Rhei biennium 2013-2015, providing a comprehensive resource that describes the scope and direction of Panta Rhei. We bring together the knowledge of all the Panta Rhei working groups, to summarize the most pressing research questions and how the hydrological community is progressing towards those goals. We draw out interconnections between different strands of research, and reflect on the need to take a global view on hydrology in the current era of human impacts and environmental change. Finally, we look back to the six driving science questions identified at the outset of Panta Rhei, to quantify progress towards those aims.
C1 [McMillan, Hilary] Natl Inst Water & Atmospher Res, Christchurch, New Zealand.
[Montanari, Alberto; Castellarin, Attilio; Toth, Elena] Univ Bologna, Dept DICAM, Bologna, Italy.
[Cudennec, Christophe] INRA, Soil Agro & HydroSyst, UMR1069, Agrocampus Ouest, F-35042 Rennes, France.
[Savenije, Hubert; Van Nooyen, Ronald] Delft Univ Technol, Dept Water Management, Delft, Netherlands.
[Kreibich, Heidi] German Res Ctr Geosci, Hydrol Sect, Potsdam, Germany.
[Krueger, Tobias] Humboldt Univ, IRI THESys, D-10099 Berlin, Germany.
[Liu, Junguo] South Univ Sci & Technol China, Sch Environm Sci & Engn, Shenzhen, Peoples R China.
[Mejia, Alfonso] Penn State Univ, Dept Civil & Environm Engn, University Pk, PA 16802 USA.
[Van Loon, Anne; Hannah, David M.] Univ Birmingham, Sch Geog Earth & Environm Sci, Birmingham, W Midlands, England.
[Aksoy, Hafzullah] Istanbul Tech Univ, Dept Civil Engn, TR-80626 Istanbul, Turkey.
[Di Baldassarre, Giuliano] Uppsala Univ, Dept Earth Sci, Uppsala, Sweden.
[Huang, Yan] Changjiang Water Resources Commiss, Wuhan, Peoples R China.
[Mazvimavi, Dominc] Univ Western Cape, Cape Town, South Africa.
[Rogger, Magdalena; Viglione, Alberto] Vienna Univ Technol, Inst Hydraul Engn & Water Resources Managem, A-1040 Vienna, Austria.
[Sivakumar, Bellie] Univ New S Wales, Sch Civil & Environm Engn, Sydney, NSW, Australia.
[Sivakumar, Bellie] Univ Calif Davis, Dept Land Air & Water Resources, Davis, CA 95616 USA.
[Bibikova, Tatiana] Russian Acad Sci, Inst Geog, Dept Hydrol, Moscow V71, Russia.
[Chen, Yangbo] Sun Yat Sen Univ, Sch Geog & Planning, Lab Water Disaster Management & Hydroinfomat, Guangzhou 510275, Guangdong, Peoples R China.
[Finger, David] Reykjavik Univ, Sch Sci & Engn, Reykjavik, Iceland.
[Gelfan, Alexander] Russian Acad Sci, Water Problems Inst, Moscow, Russia.
[Hoekstra, Arjen Y.] Univ Twente, Dept Water Engn & Management, POB 217, NL-7500 AE Enschede, Netherlands.
[Li, Hongyi] US DOE, Pacific NW Natl Lab, Hydrol Tech Grp, Richland, WA USA.
[Maskey, Shreedhar] UNESCO IHE Inst Water Educ, Dept Water Sci & Engn, Delft, Netherlands.
[Mathevet, Thibault] EDF DTG Div Tech Gen, Grenoble, France.
[Mijic, Ana] Univ London Imperial Coll Sci Technol & Med, Dept Civil & Environm Engn, London, England.
[Pedrozo Acuna, Adrian] Univ Nacl Autonoma Mexico, Inst Engn, Mexico City 04510, DF, Mexico.
[Polo, Maria J.] Univ Cordoba, Dept Hydraul Engn, Cordoba, Spain.
[Rosales, Victor] Inst Mexicano Petr, Mexico City, DF, Mexico.
[Smith, Paul] Univ Lancaster, Lancaster Environm Ctr, Lancaster, England.
[Srinivasan, Veena] Ashoka Trust Res Ecol & Environm, Bangalore, Karnataka, India.
[Xia, Jun] Wuhan Univ, Res Inst Water Secur, Wuhan 430072, Peoples R China.
[McMillan, Hilary] San Diego State Univ, Dept Geog, San Diego, CA 92182 USA.
RP McMillan, H (reprint author), Natl Inst Water & Atmospher Res, Christchurch, New Zealand.
EM h.mcmillan@niwa.co.nz
RI Gelfan, Alexander/E-4061-2010; Krueger, Tobias/D-7305-2011; Hannah,
David/B-9221-2015; Montanari, Alberto/B-5427-2009; UMR SAS,
INRA/L-1751-2013; UMR SAS, Agrohydrologie/D-3726-2012; Hoekstra,
Arjen/B-4980-2008; McMillan, Hilary/C-6772-2009; Cudennec,
Christophe/A-6952-2008; Di Baldassarre, Giuliano/C-7304-2009;
Castellarin, Attilio/B-2508-2009;
OI Hannah, David/0000-0003-1714-1240; Montanari,
Alberto/0000-0001-7428-0410; Rogger, Magdalena/0000-0003-0389-2262;
Hoekstra, Arjen/0000-0002-4769-5239; McMillan,
Hilary/0000-0002-9330-9730; Cudennec, Christophe/0000-0002-1707-8926; Di
Baldassarre, Giuliano/0000-0002-8180-4996; Castellarin,
Attilio/0000-0002-6111-0612; Mathevet, Thibault/0000-0002-4142-4454;
Polo, Maria J./0000-0002-6296-2198
FU IAHS
FX We thank IAHS for their vision and support for the Panta Rhei
hydrological decade. We also thank all scientists who participate in a
Panta Rhei working group, and therefore contribute to the success of the
initiative. We are grateful to Demetris Koutsoyiannis, Thorsten Wagener
and an anonymous reviewer for their constructive and thorough comments
that helped us to improve this paper.
NR 210
TC 4
Z9 4
U1 17
U2 28
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 0262-6667
EI 2150-3435
J9 HYDROLOG SCI J
JI Hydrol. Sci. J.-J. Sci. Hydrol.
PY 2016
VL 61
IS 7
BP 1174
EP 1191
DI 10.1080/02626667.2016.1159308
PG 18
WC Water Resources
SC Water Resources
GA DP7RU
UT WOS:000378697700002
ER
PT S
AU Lubin, M
Yamangil, E
Bent, R
Vielma, JP
AF Lubin, Miles
Yamangil, Emre
Bent, Russell
Vielma, Juan Pablo
BE Louveaux, Q
Skutella, M
TI Extended Formulations in Mixed-Integer Convex Programming
SO INTEGER PROGRAMMING AND COMBINATORIAL OPTIMIZATION, IPCO 2016
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 18th International Conference on Integer Programming and Combinatorial
Optimization (IPCO)
CY JUN 01-03, 2016
CL Liege, BELGIUM
ID NONLINEAR PROGRAMS; OUTER APPROXIMATION; OPTIMIZATION; BRANCH
AB We present a unifying framework for generating extended formulations for the polyhedral outer approximations used in algorithms for mixed-integer convex programming (MICP). Extended formulations lead to fewer iterations of outer approximation algorithms and generally faster solution times. First, we observe that all MICP instances from the MINLPLIB2 benchmark library are conic representable with standard symmetric and nonsymmetric cones. Conic reformulations are shown to be effective extended formulations themselves because they encode separability structure. For mixed-integer conic-representable problems, we provide the first outer approximation algorithm with finite-time convergence guarantees, opening a path for the use of conic solvers for continuous relaxations. We then connect the popular modeling framework of disciplined convex programming (DCP) to the existence of extended formulations independent of conic representability. We present evidence that our approach can yield significant gains in practice, with the solution of a number of open instances from the MINLPLIB2 benchmark library.
C1 [Lubin, Miles; Vielma, Juan Pablo] MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
[Yamangil, Emre; Bent, Russell] Los Alamos Natl Lab, Los Alamos, NM USA.
RP Lubin, M (reprint author), MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
EM mlubin@mit.edu
OI Bent, Russell/0000-0002-7300-151X
NR 29
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER INT PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
SN 0302-9743
BN 978-3-319-33461-5; 978-3-319-33460-8
J9 LECT NOTES COMPUT SC
PY 2016
VL 9682
BP 102
EP 113
DI 10.1007/978-3-319-33461-5_9
PG 12
WC Computer Science, Information Systems; Computer Science, Theory &
Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BF0JY
UT WOS:000378937500009
ER
PT J
AU Hoffman, MJ
Fountain, AG
Liston, GE
AF Hoffman, Matthew J.
Fountain, Andrew G.
Liston, Glen E.
TI Distributed modeling of ablation (1996-2011) and climate sensitivity on
the glaciers of Taylor Valley, Antarctica
SO JOURNAL OF GLACIOLOGY
LA English
DT Article
DE Antarctic glaciology; energy balance; glacier ablation phenomena;
glacier mass balance; melt - surface
ID MCMURDO DRY VALLEYS; SURFACE-ENERGY-BALANCE; KING-GEORGE-ISLAND;
SPECTRAL ALBEDO; MASS-BALANCE; DIFFUSE FRACTION; FOEHN WINDS; ICE-SHEET;
SNOW; RADIATION
AB The McMurdo Dry Valleys of Antarctica host the coldest and driest ecosystem on Earth, which is acutely sensitive to the availability of water coming from glacial runoff. We modeled the spatial variability in ablation and assessed climate sensitivity of the glacier ablation zones using 16 years of meteorological and surface mass-balance observations collected in Taylor Valley. Sublimation was the primary form of mass loss over much of the ablation zones, except for near the termini where melt, primarily below the surface, dominated. Microclimates in similar to 10 m scale topographic basins generated melt rates up to ten times higher than over smooth glacier surfaces. In contrast, the vertical terminal cliffs on the glaciers can have higher or lower melt rates than the horizontal surfaces due to differences in incoming solar radiation. The model systematically underpredicted ablation for the final 5 years studied, possibly due to an increase of windblown sediment. Surface mass-balance sensitivity to temperature was similar to-0.02 m w.e. K-1, which is among the smallest magnitudes observed globally. We also identified a high sensitivity to ice albedo, with a decrease of 0.02 having similar effects as a 1 K increase in temperature, and a complex sensitivity to wind speed.
C1 [Hoffman, Matthew J.] Los Alamos Natl Lab, Fluid Dynam Grp, Los Alamos, NM 87545 USA.
[Fountain, Andrew G.] Portland State Univ, Dept Geol, Portland, OR 97207 USA.
[Liston, Glen E.] Colorado State Univ, Cooperat Inst Res Atmosphere, Ft Collins, CO 80523 USA.
RP Hoffman, MJ (reprint author), Los Alamos Natl Lab, Fluid Dynam Grp, Los Alamos, NM 87545 USA.
EM mhoffman@lanl.gov
FU US National Science Foundation (NSF) Office of Polar Programs
[ANT-0423595, ANT-0233823]; Earth System Modeling program of the Office
of Biological and Environmental Research within US Department of
Energy's Office of Science
FX This work was funded by US National Science Foundation (NSF) Office of
Polar Programs grants ANT-0423595 and ANT-0233823 and the Earth System
Modeling program of the Office of Biological and Environmental Research
within the US Department of Energy's Office of Science. We thank two
anonymous reviewers for constructive reviews and Scientific Editor
Martyn Tranter and Chief Editor Jo Jacka for guiding the review process.
NR 87
TC 3
Z9 3
U1 7
U2 16
PU CAMBRIDGE UNIV PRESS
PI CAMBRIDGE
PA EDINBURGH BLDG, SHAFTESBURY RD, CB2 8RU CAMBRIDGE, ENGLAND
SN 0022-1430
EI 1727-5652
J9 J GLACIOL
JI J. Glaciol.
PY 2016
VL 62
IS 232
BP 215
EP 229
DI 10.1017/jog.2015.2
PG 15
WC Geography, Physical; Geosciences, Multidisciplinary
SC Physical Geography; Geology
GA DP9OG
UT WOS:000378825100001
ER
PT J
AU Llorens, MG
Griera, A
Bons, PD
Roessiger, J
Lebensohn, R
Evans, L
Weikusat, I
AF Llorens, Maria-Gema
Griera, Albert
Bons, Paul D.
Roessiger, Jens
Lebensohn, Ricardo
Evans, Lynn
Weikusat, Ilka
TI Dynamic recrystallisation of ice aggregates during co-axial viscoplastic
deformation: a numerical approach
SO JOURNAL OF GLACIOLOGY
LA English
DT Article
DE crystal growth; ice crystal studies; ice rheology; recrystallisation
ID STRAIN GRADIENT PLASTICITY; POLYCRYSTALLINE ICE; GRAIN-GROWTH; POLAR
ICE; TEXTURE DEVELOPMENT; FIELD FLUCTUATIONS; CRYSTAL SIZE;
MICROSTRUCTURAL FEATURES; ELLIPSOIDAL INCLUSION; NONLINEAR COMPOSITES
AB Results of numerical simulations of co-axial deformation of pure ice up to high-strain, combining full-field modelling with recrystallisation are presented. Grain size and lattice preferred orientation analysis and comparisons between simulations at different strain-rates show how recrystallisation has a major effect on the microstructure, developing larger and equi-dimensional grains, but a relatively minor effect on the development of a preferred orientation of c-axes. Although c-axis distributions do not vary much, recrystallisation appears to have a distinct effect on the relative activities of slip systems, activating the pyramidal slip system and affecting the distribution of a-axes. The simulations reveal that the survival probability of individual grains is strongly related to the initial grain size, but only weakly dependent on hard or soft orientations with respect to the flow field. Dynamic recrystallisation reduces initial hardening, which is followed by a steady state characteristic of pure-shear deformation.
C1 [Llorens, Maria-Gema; Bons, Paul D.; Roessiger, Jens; Weikusat, Ilka] Univ Tubingen, Dept Geosci, Wilhelmstr 56, D-72074 Tubingen, Germany.
[Llorens, Maria-Gema; Weikusat, Ilka] Alfred Wegener Inst Polar & Marine Res, Alten Hafen 26, Bremerhaven, Germany.
[Griera, Albert] Univ Autonoma Barcelona, Dept Geol, Bellaterra 08193, Barcelona, Spain.
[Lebensohn, Ricardo] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA.
[Evans, Lynn] Monash Univ, Sch Earth Atmosphere & Environm Sci, Clayton, Vic 3800, Australia.
RP Llorens, MG (reprint author), Univ Tubingen, Dept Geosci, Wilhelmstr 56, D-72074 Tubingen, Germany.; Llorens, MG (reprint author), Alfred Wegener Inst Polar & Marine Res, Alten Hafen 26, Bremerhaven, Germany.
EM maria-gema.llorens-verde@uni-tuebingen.de
RI Lebensohn, Ricardo/A-2494-2008; Weikusat, Ilka/E-8826-2015;
OI Lebensohn, Ricardo/0000-0002-3152-9105; Weikusat,
Ilka/0000-0002-3023-6036; Evans, Lynn/0000-0002-0954-6072
FU HGF [VH-NG-802]
FX We thank Daniela Jansen for discussions and ideas. We thank all the
members of the ELLE development group, in particular Sandra Piazolo and
Verity Borthwick for their contributions to the simulation code. The
study was funded by HGF (VH-NG-802). We thank the editor and two
anonymous reviewers for their critical, but very helpful comments and
corrections.
NR 139
TC 5
Z9 5
U1 1
U2 2
PU CAMBRIDGE UNIV PRESS
PI CAMBRIDGE
PA EDINBURGH BLDG, SHAFTESBURY RD, CB2 8RU CAMBRIDGE, ENGLAND
SN 0022-1430
EI 1727-5652
J9 J GLACIOL
JI J. Glaciol.
PY 2016
VL 62
IS 232
BP 359
EP 377
DI 10.1017/jog.2016.28
PG 19
WC Geography, Physical; Geosciences, Multidisciplinary
SC Physical Geography; Geology
GA DP9OG
UT WOS:000378825100012
ER
PT J
AU Dubey, A
Kantack, N
Adhikari, N
Reza, KM
Venkatesan, S
Kumar, M
Khatiwada, D
Darling, S
Qiao, QQ
AF Dubey, Ashish
Kantack, Nicholas
Adhikari, Nirmal
Reza, Khan Mamun
Venkatesan, Swaminathan
Kumar, Mukesh
Khatiwada, Devendra
Darling, Seth
Qiao, Qiquan
TI Room temperature, air crystallized perovskite film for high performance
solar cells
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID CARRIER RECOMBINATION; EFFICIENCY; POLYMER; SINGLE; INTERFACE; IODIDE;
TRANSFORMATION; DEGRADATION; DEPOSITION; CONVERSION
AB For the first time, room temperature heating free growth and crystallization of perovskite films in ambient air without the use of thermal annealing is reported. Highly efficient perovskite nanorod-based solar cells were made using ITO/PEDOT:PSS/CH3NH3PbI3 nanorods/PC60BM/rhodamine/Ag. All the layers except PEDOT:PSS were processed at room temperature thereby eliminating the need for thermal treatment. Perovskite films were spin coated inside a N-2 filled glovebox and immediately were taken outside in air having 40% relative humidity (RH). Exposure to humid air was observed to promote the crystallization process in perovskite films even at room temperature. Perovskite films kept for 5 hours in ambient air showed nanorod-like morphology having high crystallinity, with devices exhibiting the highest PCE of 16.83%, which is much higher than the PCE of 11.94% for traditional thermally annealed perovskite film based devices. It was concluded that moisture plays an important role in room temperature crystallization of pure perovskite nanorods, showing improved optical and charge transport properties, which resulted in high performance solar cells.
C1 [Dubey, Ashish; Kantack, Nicholas; Adhikari, Nirmal; Reza, Khan Mamun; Venkatesan, Swaminathan; Khatiwada, Devendra; Qiao, Qiquan] S Dakota State Univ, Ctr Adv Photovolta, Elect Engn & Comp Sci Dept, Brookings, SD 57007 USA.
[Kumar, Mukesh] Indian Inst Technol Ropar, Funct & Renewable Energy Mat Lab, Dept Phys, Rupnagar 140001, Punjab, India.
[Darling, Seth] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Darling, Seth] Univ Chicago, Inst Mol Engn, 5640 S Ellis Ave, Chicago, IL 60637 USA.
RP Qiao, QQ (reprint author), S Dakota State Univ, Ctr Adv Photovolta, Elect Engn & Comp Sci Dept, Brookings, SD 57007 USA.
EM qiquan.qiao@sdstate.edu
RI Venkatesan, Swaminathan/D-8809-2014
OI Venkatesan, Swaminathan/0000-0003-2213-0255
FU NASA EPSCoR [NNX13AD31A, NNX15AM83A]; Pakistan-US Science and Technology
Cooperation Program; NSF MRI [1229577, 1428992]; Center for Nanoscale
Materials, a U.S. Department of Energy Office of Science User Facility
[DE-AC02-06CH11357]
FX This research benefited from the grants including NASA EPSCoR
(NNX13AD31A and NNX15AM83A), Pakistan-US Science and Technology
Cooperation Program, and NSF MRI (grant no. 1229577 and 1428992). This
work was performed, in part, at the Center for Nanoscale Materials, a
U.S. Department of Energy Office of Science User Facility under Contract
No. DE-AC02-06CH11357.
NR 43
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U1 13
U2 26
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 2016
VL 4
IS 26
BP 10231
EP 10240
DI 10.1039/c6ta02918c
PG 10
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA DP8IR
UT WOS:000378742100023
ER
PT J
AU Johnson, JC
Li, Z
Ndione, PF
Zhu, K
AF Johnson, Justin C.
Li, Zhen
Ndione, Paul F.
Zhu, Kai
TI Third-order nonlinear optical properties of methylammonium lead halide
perovskite films
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID EXCITON FINE-STRUCTURE; LIGHT-EMITTING-DIODES; QUANTUM DOTS; GOLD
NANOPARTICLES; PHASE-CONJUGATION; NANOWIRE LASERS; SPIN RELAXATION;
BINDING-ENERGY; SINGLE-CRYSTAL; THIN-FILMS
AB We report third-order nonlinear coefficient values and decay time kinetics vs. halide composition (CH3NH3PbBr3 and CH3NH3PbBr2I), temperature, and excitation wavelength. The maximum values of the third-order nonlinear susceptibility chi((3)) (similar to 1.6 x 10(-6) esu) are similar to or larger than many common third-order materials. The source of the nonlinearity is shown to be primarily excitonic in the tribromide film by virtue of its strong enhancement near the exciton resonance. Nonresonant excitation reduces the nonlinearity significantly, as does increasing the temperature. Substitution of one I for one Br also reduces the nonlinearity by at least one order of magnitude, presumably due to the lack of strong exciton resonance in the substituted form. The thin films are stable, highly homogenous (lacking significant light scattering), and simple and inexpensive to fabricate, making them potentially useful in a variety of optoelectronic applications in which wavelength selectivity is important.
C1 [Johnson, Justin C.; Li, Zhen; Ndione, Paul F.; Zhu, Kai] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
RP Johnson, JC; Zhu, K (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM justin.johnson@nrel.gov; kai.zhu@nrel.gov
OI Li, Zhen/0000-0003-1177-2818
FU Department of Energy, Basic Energy Sciences, Division of Chemical
Sciences, Biosciences, and Geosciences [DE-AC36-08GO28308]; NREL; hybrid
perovskite solar cell program of the National Center for Photovoltaics -
U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy, Solar Energy Technologies Office
FX JCJ acknowledges support from the Department of Energy, Basic Energy
Sciences, Division of Chemical Sciences, Biosciences, and Geosciences
under contract No. DE-AC36-08GO28308 with NREL. ZL, PFN, and KZ
acknowledge the support from the hybrid perovskite solar cell program of
the National Center for Photovoltaics funded by the U.S. Department of
Energy, Office of Energy Efficiency and Renewable Energy, Solar Energy
Technologies Office.
NR 45
TC 2
Z9 2
U1 12
U2 22
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 2016
VL 4
IS 22
BP 4847
EP 4852
DI 10.1039/c6tc01436d
PG 6
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA DP5VO
UT WOS:000378566400002
ER
PT S
AU Alamudun, F
Yoon, HJ
Hammond, T
Hudson, K
Morin-Ducote, G
Tourassi, G
AF Alamudun, Folami
Yoon, Hong-Jun
Hammond, Tracy
Hudson, Kathy
Morin-Ducote, Garnetta
Tourassi, Georgia
BE Abbey, CK
Kupinski, MA
TI Shapelet Analysis of Pupil Dilation for Modeling Visuo-Cognitive
Behavior in Screening Mammography
SO MEDICAL IMAGING 2016: IMAGE PERCEPTION, OBSERVER PERFORMANCE, AND
TECHNOLOGY ASSESSMENT
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Medical Imaging - Image Perception, Observer Performance,
and Technology Assessment
CY MAR 02-03, 2016
CL San Diego, CA
SP SPIE, Modus Med Devices Inc, Bruker, Poco Graphite, ImXPAD
DE visual perception; mammography; eye tracking; shapelets; pupillometry;
mental workload
ID CANCER; SOCIETY; ISSUES; SIZE
AB Our objective is to improve understanding of visuo-cognitive behavior in screening mammography under clinically equivalent experimental conditions. To this end, we examined pupillometric data, acquired using a head-mounted eye-tracking device, from 10 image readers (three breast-imaging radiologists and seven Radiology residents), and their corresponding diagnostic decisions for 100 screening mammograms. The corpus of mammograms comprised cases of varied pathology and breast parenchymal density. We investigated the relationship between pupillometric fluctuations, experienced by an image reader during mammographic screening, indicative of changes in mental workload, the pathological characteristics of a mammographic case, and the image readers' diagnostic decision and overall task performance. To answer these questions, we extract features from pupillometric data, and additionally applied time series shapelet analysis to extract discriminative patterns in changes in pupil dilation. Our results show that pupillometric measures are adequate predictors of mammographic case pathology, and image readers' diagnostic decision and performance with an average accuracy of 80%.
C1 [Alamudun, Folami; Hammond, Tracy] Texas A&M Univ, Dept Comp Sci & Engn, Sketch Recognit Lab, 301 Harvey R Bright Bldg, College Stn, TX 77843 USA.
[Yoon, Hong-Jun; Tourassi, Georgia] Oak Ridge Natl Lab, Hlth Data Sci Inst, Biomed Sci & Engn Ctr, Oak Ridge, TN 37831 USA.
[Hudson, Kathy; Morin-Ducote, Garnetta] Univ Tennessee, Med Ctr Knoxville, Dept Radiol, Knoxville, TN 37920 USA.
RP Alamudun, F (reprint author), Texas A&M Univ, Dept Comp Sci & Engn, Sketch Recognit Lab, 301 Harvey R Bright Bldg, College Stn, TX 77843 USA.
EM fola@cse.tamu.edu
OI Alamudun, Folami/0000-0002-0803-4542
NR 41
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 978-1-5106-0022-5
J9 PROC SPIE
PY 2016
VL 9787
AR 97870M
DI 10.1117/12.2217670
PG 13
WC Optics; Radiology, Nuclear Medicine & Medical Imaging
SC Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BF0CK
UT WOS:000378534200021
ER
PT S
AU Chen, T
Shin, J
Huang, LJ
AF Chen, Ting
Shin, Junseob
Huang, Lianjie
BE Duric, N
Heyde, B
TI Ultrasound transmission attenuation tomography using energy-scaled
amplitude ratios
SO MEDICAL IMAGING 2016: ULTRASONIC IMAGING AND TOMOGRAPHY
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Medical Imaging - Ultrasonic Imaging and Tomography
CY FEB 28-29, 2016
CL San Diego, CA
SP SPIE, Modus Med Devices Inc, Bruker, Poco Graphite, ImXPAD
DE Attenuation; breast cancer; breast tumor; synthetic-aperture ultrasound;
tissue characterization; transmission; ultrasound bent-ray tomography
ID FINITE-DIFFERENCE CALCULATION; SPARSE LINEAR-EQUATIONS;
MAMMALIAN-TISSUES; LEAST-SQUARES; COMPILATION; LSQR
AB Ultrasound attenuation of breast tumors is related to their types and pathological states, and can be used to detect and characterize breast cancer. Particularly, ultrasound scattering attenuation can infer the margin properties of breast tumors. Ultrasound attenuation tomography quantitatively reconstructs the attenuation properties of the breast. Our synthetic aperture breast ultrasound tomography system with two parallel transducer arrays records both ultrasound reflection and transmission signals. We develop an ultrasound attenuation tomography method using ultrasound energy-scaled amplitude decays of ultrasound transmission signals and conduct ultrasound attenuation tomography using a known sound-speed model. We apply our ultrasound transmission attenuation tomography method to a breast phantom dataset, and compare the ultrasound attenuation tomography results with conventional beamforming ultrasound images obtained using reflection signals. We show that ultrasound transmission attenuation tomography complements beamforming images in identifying breast lesions.
C1 [Chen, Ting; Shin, Junseob; Huang, Lianjie] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RP Chen, T (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM tchen@lanl.gov
OI Chen, Ting/0000-0002-9599-871X
NR 21
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 978-1-5106-0025-6
J9 PROC SPIE
PY 2016
VL 9790
AR 979016
DI 10.1117/12.2216412
PG 7
WC Optics; Radiology, Nuclear Medicine & Medical Imaging
SC Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BF0CZ
UT WOS:000378539900041
ER
PT S
AU Shin, J
Huang, LJ
AF Shin, Junseob
Huang, Lianjie
BE Duric, N
Heyde, B
TI High-resolution synthetic aperture ultrasound imaging with minimum
variance beamforming and spiking deconvolution
SO MEDICAL IMAGING 2016: ULTRASONIC IMAGING AND TOMOGRAPHY
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Medical Imaging - Ultrasonic Imaging and Tomography
CY FEB 28-29, 2016
CL San Diego, CA
SP SPIE, Modus Med Devices Inc, Bruker, Poco Graphite, ImXPAD
DE Adaptive beamforming; contrast enhancement; high resolution; image
quality; minimum variance beamforming; spiking deconvolution; sidelobe
suppression; synthetic aperture ultrasound
ID PHASE-ABERRATION CORRECTION; MEDICAL ULTRASOUND; CROSS-CORRELATION; DUAL
APODIZATION; BLIND DECONVOLUTION; WAVELET ESTIMATION; COHERENCE FACTOR;
IMAGES; REDUCTION; CLUTTER
AB Minimum variance beamforming (MVBF) is an adaptive beamforming technique, which aims to improve the lateral resolution by computing and applying signal-dependent apodization rather than predetermined apodization as typically done in conventional delay-and-sum (DAS) beamforming. Although studies have shown that the improvement in lateral resolution associated with MVBF is significant, the axial resolution remains unaffected. In this work, we combine MVBF and spiking deconvolution to improve both lateral and axial resolutions in synthetic aperture ultrasound imaging. We implement our new method and evaluate its performance using experimental datasets from a tissue-mimicking phantom. Our results show that our new method yields improved axial and lateral resolutions as well as image contrast.
C1 [Shin, Junseob; Huang, Lianjie] Los Alamos Natl Lab, MS D452, Los Alamos, NM 87545 USA.
RP Huang, LJ (reprint author), Los Alamos Natl Lab, MS D452, Los Alamos, NM 87545 USA.
EM ljh@lanl.gov
NR 52
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 978-1-5106-0025-6
J9 PROC SPIE
PY 2016
VL 9790
AR 97901W
DI 10.1117/12.2217212
PG 10
WC Optics; Radiology, Nuclear Medicine & Medical Imaging
SC Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BF0CZ
UT WOS:000378539900063
ER
PT S
AU Shin, J
Huang, LJ
AF Shin, Junseob
Huang, Lianjie
BE Duric, N
Heyde, B
TI Frequency-space prediction filtering for acoustic clutter and random
noise attenuation in ultrasound imaging
SO MEDICAL IMAGING 2016: ULTRASONIC IMAGING AND TOMOGRAPHY
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Medical Imaging - Ultrasonic Imaging and Tomography
CY FEB 28-29, 2016
CL San Diego, CA
SP SPIE, Modus Med Devices Inc, Bruker, Poco Graphite, ImXPAD
DE autoregressive model; clutter; contrast enhancement; frequency-space
prediction filtering; FX deconvolution; image quality; linear
prediction; sidelobe suppression
ID EMPIRICAL-MODE DECOMPOSITION; MODULATED EXCITATION SIGNALS;
CROSS-CORRELATION; DUAL APODIZATION; PHASE ABERRATION; MEDICAL
ULTRASOUND; COHERENCE FACTOR; PERFORMANCE; REDUCTION
AB Frequency-space prediction filtering (FXPF), also known as FX deconvolution, is a technique originally developed for random noise attenuation in seismic imaging. FXPF attempts to reduce random noise in seismic data by modeling only real signals that appear as linear or quasilinear events in the aperture domain In medical ultrasound imaging, channel radio frequency (RF) signals from the main lobe appear as horizontal events after receive delays are applied while acoustic clutter signals from off-axis scatterers and electronic noise do not. Therefore, FXPF is suitable for preserving only the main-lobe signals and attenuating the unwanted contributions from clutter and random noise in medical ultrasound imaging. We adapt FXPF to ultrasound imaging, and evaluate its performance using simulated data sets from a point target and an anechoic cyst. Our simulation results show that using only 5 iterations of FXPF achieves contrast-to-noise ratio (CNR) improvements of 67 % in a simulated noise-free anechoic cyst and 228 % in a simulated anechoic cyst contaminated with random noise of 15 dB signal-to-noise ratio (SNR). Our findings suggest that ultrasound imaging with FXPF attenuates contributions from both acoustic clutter and random noise and therefore, FXPF has great potential to improve ultrasound image contrast for better visualization of important anatomical structures and detection of diseased conditions.
C1 [Shin, Junseob; Huang, Lianjie] Los Alamos Natl Lab, MS D452, Los Alamos, NM 87545 USA.
RP Huang, LJ (reprint author), Los Alamos Natl Lab, MS D452, Los Alamos, NM 87545 USA.
EM ljh@lanl.gov
NR 40
TC 0
Z9 0
U1 2
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 978-1-5106-0025-6
J9 PROC SPIE
PY 2016
VL 9790
AR 97901O
DI 10.1117/12.2216566
PG 11
WC Optics; Radiology, Nuclear Medicine & Medical Imaging
SC Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BF0CZ
UT WOS:000378539900056
ER
PT J
AU Liu, G
Kong, LP
Yan, JY
Liu, ZX
Zhang, HZ
Lei, P
Xu, T
Mao, HK
Chen, B
AF Liu, Gang
Kong, Lingping
Yan, Jinyuan
Liu, Zhenxian
Zhang, Hengzhong
Lei, Pei
Xu, Tao
Mao, Ho-Kwang
Chen, Bin
TI Nanocrystals in compression: unexpected structural phase transition and
amorphization due to surface impurities
SO NANOSCALE
LA English
DT Article
ID MOLECULAR-DYNAMICS SIMULATIONS; TITANIUM-DIOXIDE; TIO2; TRANSFORMATION;
NANOPARTICLES; CRYSTALS
AB We report an unprecedented surface doping-driven anomaly in the compression behaviors of nanocrystals demonstrating that the change of surface chemistry can lead to an interior bulk structure change in nano-particles. In the synchrotron-based X-ray diffraction experiments, titania nanocrystals with low concentration yttrium dopants at the surface are found to be less compressible than undoped titania nanocrystals. More surprisingly, an unexpected TiO2(II) phase (alpha-PbO2 type) is induced and obvious anisotropy is observed in the compression of yttrium-doped TiO2, in sharp contrast to the compression behavior of undoped TiO2. In addition, the undoped brookite nanocrystals remain with the same structure up to 30 GPa, whereas the yttrium-doped brookite amorphizes above 20 GPa. The abnormal structural evolution observed in yttrium-doped TiO2 does not agree with the reported phase stability of nano titania polymorphs, thus suggesting that the physical properties of the interior of nanocrystals can be controlled by the surface, providing an unconventional and new degree of freedom in search for nanocrystals with novel tunable properties that can trigger applications in multiple areas of industry and provoke more related basic science research.
C1 [Liu, Gang; Kong, Lingping; Mao, Ho-Kwang; Chen, Bin] Ctr High Pressure Sci & Technol Adv Res, Shanghai 201203, Peoples R China.
[Liu, Gang; Kong, Lingping] Carnegie Inst Sci, High Pressure Synerget Consortium, Geophys Lab, Argonne, IL 60439 USA.
[Yan, Jinyuan; Chen, Bin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Yan, Jinyuan] Univ Calif Santa Cruz, Dept Earth & Planetary Sci, Santa Cruz, CA 95064 USA.
[Liu, Zhenxian; Mao, Ho-Kwang] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA.
[Zhang, Hengzhong] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.
[Lei, Pei] Harbin Inst Technol, Ctr Composite Mat, Harbin 150080, Peoples R China.
[Xu, Tao] No Illinois Univ, Dept Chem & Biochem, De Kalb, IL 60115 USA.
RP Liu, G; Chen, B (reprint author), Ctr High Pressure Sci & Technol Adv Res, Shanghai 201203, Peoples R China.; Liu, G (reprint author), Carnegie Inst Sci, High Pressure Synerget Consortium, Geophys Lab, Argonne, IL 60439 USA.; Chen, B (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
EM hit071202@gmail.com; chenbin@hpstar.ac.cn
FU Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy (DOE) [DE-AC02-05CH11231, DE-AC02-98CH10886,
DE-AC02-06CH11357]; U.S. National Science Foundation [EAR11-57758,
EAR10-43050]; DOE/NNSA [DE-FC-52-O8NA28554]; NSAF [U1530402]; US
National Science Foundation [CHE-1213835, CBET-1150617]
FX We are grateful to Prof. R. Jeanloz for discussions. We also would like
to thank Drs A. MacDowell, S. Clark, and J. Knight for their technical
help. ALS, NSLS, and APS are supported by the Director, Office of
Science, Office of Basic Energy Sciences, of the U.S. Department of
Energy (DOE) under contracts DE-AC02-05CH11231, DE-AC02-98CH10886, and
DE-AC02-06CH11357, respectively. Facility support was also provided by
the U.S. National Science Foundation (EAR11-57758; EAR10-43050), and
DOE/NNSA (DE-FC-52-O8NA28554, CDAC). The authors from HPSTAR acknowledge
the support of NSAF (Grant No. U1530402). H. Z. thanks the support by
the US National Science Foundation (CHE-1213835). T. X. acknowledges the
support from the US National Science Foundation (CBET-1150617).
NR 29
TC 0
Z9 0
U1 6
U2 11
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
EI 2040-3372
J9 NANOSCALE
JI Nanoscale
PY 2016
VL 8
IS 23
BP 11803
EP 11809
DI 10.1039/c5nr09027j
PG 7
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DP5BJ
UT WOS:000378510700005
PM 27280175
ER
PT J
AU Sutter, P
Tenney, SA
Ivars-Barcelo, F
Wu, L
Zhu, Y
Sutter, E
AF Sutter, P.
Tenney, S. A.
Ivars-Barcelo, F.
Wu, L.
Zhu, Y.
Sutter, E.
TI Alloy oxidation as a route to chemically active nanocomposites of gold
atoms in a reducible oxide matrix (vol 1, pg 212, 2016)
SO NANOSCALE HORIZONS
LA English
DT Correction
C1 [Sutter, P.] Univ Nebraska, Dept Elect & Comp Engn, Lincoln, NE 68588 USA.
[Tenney, S. A.; Ivars-Barcelo, F.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Wu, L.; Zhu, Y.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
[Sutter, E.] Univ Nebraska, Dept Mech & Mat Engn, Lincoln, NE 68588 USA.
RP Sutter, P (reprint author), Univ Nebraska, Dept Elect & Comp Engn, Lincoln, NE 68588 USA.
EM psutter@unl.edu
NR 1
TC 0
Z9 0
U1 1
U2 1
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2055-6756
EI 2055-6764
J9 NANOSCALE HORIZ
JI Nanoscale Horiz.
PY 2016
VL 1
IS 4
BP 331
EP 331
DI 10.1039/c6nh90013e
PG 1
WC Nanoscience & Nanotechnology
SC Science & Technology - Other Topics
GA DP7YC
UT WOS:000378714100010
ER
PT S
AU Roth, CC
Barnes, RA
Ibey, BL
Beier, HT
Glickman, RD
AF Roth, Caleb C.
Barnes, Ronald A.
Ibey, Bennett L.
Beier, Hope T.
Glickman, Randolph D.
BE Jansen, ED
TI Conductivity Affects Nanosecond Electrical Pulse Induced Pressure
Transient Formation
SO OPTICAL INTERACTIONS WITH TISSUE AND CELLS XXVII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Optical Interactions with Tissue and Cells XXVII
CY FEB 14-17, 2016
CL San Francisco, CA
SP SPIE
DE electrodeformation; nanoporation; nanosecond electrical pulse;
conductivity; mechanical stress
ID MEMBRANE PERMEABILIZATION; JURKAT CELLS; FIELDS;
ELECTROPERMEABILIZATION; PERTURBATION; DEATH
AB Nanoporation occurs in cells exposed to high amplitude short duration (< 1 mu s) electrical pulses. The biophysical mechanism(s) responsible for nanoporation is unknown although several theories exist. Current theories focus exclusively on the electrical field, citing electrostriction, water dipole alignment and/or electrodeformation as the primary mechanisms for pore formation. Our group has shown that mechanical forces of substantial magnitude are also generated during nsEP exposures. We hypothesize that these mechanical forces may contribute to pore formation. In this paper, we report that alteration of the conductivity of the exposure solution also altered the level of mechanical forces generated during a nsEP exposure. By reducing the conductivity of the exposure solutions, we found that we could completely eliminate any pressure transients normally created by nsEP exposure. The data collected for this proceeding does not definitively show that the pressure transients previously identified contribute to nanoporation; however; it indicates that conductivity influences both survival and pressure transient formation.
C1 [Roth, Caleb C.] Univ Texas Hlth Sci Ctr San Antonio, Dept Radiol Sci, Sch Med, 7703 Floyd Curl Dr, San Antonio, TX 78229 USA.
[Barnes, Ronald A.] Oak Ridge Inst Sci & Educ, Natl Res Council, Jbsa Ft Sam Houston, TX 78234 USA.
[Ibey, Bennett L.] Air Force Res Lab, Radio Frequency Bioeffects Branch, Bioeffects Div, Human Effectiveness Directorate, 711th Human Performance Wing,4141 Petr Rd, Jbsa Ft Sam Houston, TX 78234 USA.
[Beier, Hope T.] Air Force Res Lab, Opt Radiat Bioeffects Branch, Bioeffects Div, Human Effectiveness Directorate, 711th Human Performance Wing,4141 Petr Rd, Jbsa Ft Sam Houston, TX 78234 USA.
[Glickman, Randolph D.] Univ Texas Hlth Sci Ctr San Antonio, Dept Ophthalmol, Sch Med, 7703 Floyd Curl Dr, San Antonio, TX 78229 USA.
RP Roth, CC (reprint author), Univ Texas Hlth Sci Ctr San Antonio, Dept Radiol Sci, Sch Med, 7703 Floyd Curl Dr, San Antonio, TX 78229 USA.
NR 21
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 978-1-62841-940-5
J9 PROC SPIE
PY 2016
VL 9706
AR 97060V
DI 10.1117/12.2214896
PG 8
WC Engineering, Biomedical; Engineering, Electrical & Electronic; Optics;
Physics, Applied
SC Engineering; Optics; Physics
GA BF0HH
UT WOS:000378852400026
ER
PT S
AU Maswadi, SM
Tsyboulski, D
Roth, CC
Glickman, RD
Beier, HT
Oraevsky, AA
Ibey, BL
AF Maswadi, Saher M.
Tsyboulski, Dmitri
Roth, Caleb C.
Glickman, Randolph D.
Beier, Hope T.
Oraevsky, Alexander A.
Ibey, Bennett L.
BE Oraevsky, AA
Wang, LV
TI All-Optical Optoacoustic Microscopy Based on Probe Beam Deflection
Technique
SO PHOTONS PLUS ULTRASOUND: IMAGING AND SENSING 2016
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Photons Plus Ultrasound - Imaging and Sensing
CY FEB 14-17, 2016
CL San Francisco, CA
SP SPIE, Seno Med Instruments Inc
DE All-optical optoacoustic detection; backward mode; non-contact sensor;
optical resolution optoacoustic imaging; optoacoustic microscopy; probe
beam deflection technique
ID RESOLUTION PHOTOACOUSTIC MICROSCOPY; IN-VIVO; TOMOGRAPHY; DETECTOR;
TISSUE; SENSOR
AB It is difficult to achieve sub-micron resolution in backward mode OA microscopy using conventional piezoelectric detectors, because of wavefront distortions caused by components placed in the optical path, between the sample and the objective lens, that are required to separate the acoustic wave from the optical beam. As an alternate approach, an optoacoustic microscope (OAM) was constructed using the probe beam deflection technique (PBDT) to detect laser induced acoustic signals. The all-optical OAM detects laser-generated pressure waves using a probe beam passing through a coupling medium, such as water, filling the space between the microscope objective lens and sample. The acoustic waves generated in the sample propagate through the coupling medium, causing transient changes in the refractive index that deflect the probe beam. These deflections are measured with a high-speed, balanced photodiode position detector. The deflection amplitude is directly proportional to the magnitude of the acoustic pressure wave, and provides the data required for image reconstruction. The sensitivity of the PBDT detector expressed as noise equivalent pressure was 12 Pa, comparable to that of existing high-performance ultrasound detectors. Because of the unimpeded working distance, a high numerical aperture objective lens, i.e. NA = 1, was employed in the OAM to achieve near diffraction-limited lateral resolution of 0.5 mu m at 532nm. The all-optical OAM provides several benefits over current piezoelectric detector-based systems, such as increased lateral and axial resolution, higher sensitivity, robustness, and potentially more compatibility with multimodal instruments.
C1 [Maswadi, Saher M.] Oak Ridge Inst Sci & Educ, 4141 Petr Rd, Jbsa Ft Sam Houston, TX 78234 USA.
[Maswadi, Saher M.] Univ Texas San Antonio, Dept Phys & Astron, One UTSA Circle, San Antonio, TX 78249 USA.
[Tsyboulski, Dmitri; Oraevsky, Alexander A.] TomoWave Labs, 6550 Mapleridge St, Houston, TX 77081 USA.
[Roth, Caleb C.] Univ Texas Hlth Sci Ctr San Antonio, Dept Radiol Sci, Sch Med, 7703 Floyd Curl Dr, San Antonio, TX 78229 USA.
[Glickman, Randolph D.] Univ Texas Hlth Sci Ctr San Antonio, Dept Ophthalmol, Sch Med, 7703 Floyd Curl Dr, San Antonio, TX 78229 USA.
[Beier, Hope T.] Air Force Res Lab, Opt Radiat Branch, Bioeffects Div, Human Effectiveness Directorate, 711th Human Performance Wing,4141 Petr Rd, Jbsa Ft Sam Houston, TX 78234 USA.
[Ibey, Bennett L.] Air Force Res Lab, Radio Frequency Bioeffects Branch, Bioeffects Div, Human Effectiveness Directorate, 711th Human Performance Wing,4141 Petr Rd, Jbsa Ft Sam Houston, TX 78234 USA.
[Maswadi, Saher M.; Glickman, Randolph D.] EchoLase Inc, 5234 Tomas Circle, San Antonio, TX 78240 USA.
RP Maswadi, SM (reprint author), Oak Ridge Inst Sci & Educ, 4141 Petr Rd, Jbsa Ft Sam Houston, TX 78234 USA.; Glickman, RD (reprint author), Univ Texas Hlth Sci Ctr San Antonio, Dept Ophthalmol, Sch Med, 7703 Floyd Curl Dr, San Antonio, TX 78229 USA.; Maswadi, SM; Glickman, RD (reprint author), EchoLase Inc, 5234 Tomas Circle, San Antonio, TX 78240 USA.
EM maswadi@echolase.com; glickman@uthscsa.edu
NR 34
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 978-1-62841-942-9
J9 PROC SPIE
PY 2016
VL 9708
AR 970818
DI 10.1117/12.2217690
PG 7
WC Optics; Radiology, Nuclear Medicine & Medical Imaging
SC Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BF0AZ
UT WOS:000378437000041
ER
PT J
AU Sharma, V
Doerr, N
Erdemir, A
Aswath, PB
AF Sharma, Vibhu
Doerr, Nicole
Erdemir, Ali
Aswath, Pranesh B.
TI Interaction of phosphonium ionic liquids with borate esters at
tribological interfaces
SO RSC ADVANCES
LA English
DT Article
ID RAY-ABSORPTION SPECTROSCOPY; ZINC DIALKYL DITHIOPHOSPHATE; ZDDP ANTIWEAR
FILMS; THIOPHOSPHATE OIL ADDITIVES; LUBRICANT ADDITIVES; XANES
SPECTROSCOPY; BORIC-ACID; MECHANICAL-PROPERTIES; IN-SITU; K-EDGE
AB Synergistic interaction between ionic liquids (ILs) and soluble borate (SB) esters was examined in the context of tribofilm formation for antiwear applications. ILs composed of phosphonium cation and phosphate anion (P_DEHP) and dithiophosphate anion (P_DEPDT), respectively, were mixed with borate esters in group I base oil at 1000 P ppm and 200 B ppm and their tribological properties were evaluated using a cylinder on reciprocating flat and ball on rotating disc contact tribometers. Friction and wear results were compared with those of a reference oil containing zinc dialkyl dithiophosphate (ZDDP). Results indicate that the addition of SB to ILs results in a shortened incubation time for tribofilm formation and significantly better wear protection in comparison to ZDDP. The chemical compositions of the interfacial tribofilms examined with X-ray absorption near edge structure (XANES) spectroscopy suggest that interaction between IL + SB results in incorporation of boron as boron oxides and boron phosphate in the bulk of the tribofilms while the surface is largely composed of short chain iron polyphosphates. On the other hand, tribofilms derived from only ILs are composed of short chain iron polyphosphate and tribofilms derived from SB1 and SB2 exhibit trigonal B chemistry.
C1 [Sharma, Vibhu; Aswath, Pranesh B.] Univ Texas Arlington, Mat Sci & Engn Dept, Arlington, TX 76019 USA.
[Doerr, Nicole] AC2T Res GmbH, Wiener Neustadt, Austria.
[Erdemir, Ali] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Aswath, PB (reprint author), Univ Texas Arlington, Mat Sci & Engn Dept, Arlington, TX 76019 USA.
EM Aswath@uta.edu
RI Dorr, Nicole/D-3050-2013; Krailers, Niramai/K-8496-2016
OI Krailers, Niramai/0000-0002-7053-7087
FU NSERC; NRC; CIHR; University of Saskatchewan; Austrian COMET-Program
[849109]
FX XANES experiments were conducted at the Canadian Light Source,
Saskatoon, Saskatchewan, Canada that is supported by NSERC, NRC, CIHR
and the University of Saskatchewan. Tribological tests were performed at
Argonne National Laboratory. Scanning probe microscopy experiments were
conducted at Center for Characterization for Materials and Biology at
The University of Texas at Arlington. This work was also supported by
the "Austrian COMET-Program" in the frame of K2 XTribology (project no.
849109).
NR 84
TC 1
Z9 1
U1 1
U2 7
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 2016
VL 6
IS 58
BP 53148
EP 53161
DI 10.1039/c6ra11822d
PG 14
WC Chemistry, Multidisciplinary
SC Chemistry
GA DP5UL
UT WOS:000378563200079
ER
PT J
AU Joshua, CJ
Simmons, BA
Singer, SW
AF Joshua, C. J.
Simmons, B. A.
Singer, S. W.
TI Ferricyanide-based analysis of aqueous lignin suspension revealed
sequestration of water-soluble lignin moieties
SO RSC ADVANCES
LA English
DT Article
ID SIZE-EXCLUSION CHROMATOGRAPHY; BROMIDE SPECTROPHOTOMETRIC METHOD;
RADICAL-SCAVENGING ACTIVITY; BROWN-ROT BASIDIOMYCETE; MOLAR-MASS;
ANTIOXIDANT ACTIVITY; MODEL COMPOUNDS; REDUCING POWER; KLASON LIGNIN;
WOOD LIGNIN
AB This study describes the application of a ferricyanide-based assay as a simple and inexpensive assay for rapid analysis of aqueous lignin samples. The assay measures the formation of Prussian blue from the redox reaction between a mixture of potassium ferricyanide and ferric chloride, and phenolic hydroxyl groups of lignin or lignin-derived phenolic moieties. This study revealed that soluble lignin moieties exhibited stronger ferricyanide reactivity than insoluble aggregates. The soluble lignin moieties exhibited higher ferricyanide reactivity because of increased access of the phenolic hydroxyl groups to the ferricyanide reagents. Ferricyanide reactivity of soluble lignin moieties correlated inversely with the molecular weight distributions of the molecules, probably due to the involvement of phenolic hydroxyl groups in bond formation. The insoluble lignin aggregates exhibited low ferricyanide reactivity due to sequestration of the phenolic hydroxyl groups within the solid matrix. The study also highlighted the sequestration of polydispersed water-soluble lignin moieties by insoluble aggregates. The sequestered moieties were released by treatment with 0.01 M NaOH at 37 degrees C for 180 min. The redox assay was effective on different types of lignin extracts such as Klason lignin from switchgrass, ionic-liquid derived lignin from Eucalyptus and alkali lignin extracts. The assay generated a distinct profile for each lignin sample that was highly reproducible. The assay was also used to monitor consumption of syringic acid by Sphingobium sp. SYK-6. The simplicity and reproducibility of this assay makes it an excellent and versatile tool for qualitative and semi-quantitative characterization and comparative profiling of aqueous lignin samples.
C1 [Joshua, C. J.; Simmons, B. A.; Singer, S. W.] Joint BioEnergy Inst, Emeryville, CA 94608 USA.
[Joshua, C. J.; Simmons, B. A.; Singer, S. W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol & Syst Engn Div, Berkeley, CA 94720 USA.
RP Joshua, CJ (reprint author), Joint BioEnergy Inst, Emeryville, CA 94608 USA.; Joshua, CJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol & Syst Engn Div, Berkeley, CA 94720 USA.
EM cjjoshua@lbl.gov
FU U. S. Department of Energy, Office of Science, Office of Biological and
Environmental Research [DE-AC02-05CH11231]
FX This work was part of the DOE Joint BioEnergy Institute
(http://www.jbei.org) supported by the U. S. Department of Energy,
Office of Science, Office of Biological and Environmental Research,
through contract DE-AC02-05CH11231 between Lawrence Berkeley National
Laboratory and the U. S. Department of Energy. 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 authors extend their
gratitude to Chen Lin and Deepti Tanjore at the Advanced Biofuels
Process Demonstration Unit (ABPDU) at Lawrence Berkeley National
Laboratory, Emeryville, CA for providing lignin extract from Eucalyptus.
NR 73
TC 0
Z9 0
U1 3
U2 3
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2016
VL 6
IS 59
BP 54382
EP 54393
DI 10.1039/c6ra04443c
PG 12
WC Chemistry, Multidisciplinary
SC Chemistry
GA DP5FL
UT WOS:000378521400096
ER
PT J
AU Iriza, A
Dumitrache, RC
Lupascu, A
Stefan, S
AF Iriza, Amalia
Dumitrache, Rodica C.
Lupascu, Aurelia
Stefan, Sabina
TI Studies regarding the quality of numerical weather forecasts of the WRF
model integrated at high-resolutions for the Romanian territory
SO ATMOSFERA
LA English
DT Article
DE Numerical modelling; high resolution; forecast verification; statistical
scores
ID MM5; PREDICTIONS; SENSITIVITY; PARAMETERS
AB The aim of this paper is to evaluate the quality of high-resolution weather forecasts from the Weather Research and Forecasting (WRF) numerical weather prediction model. The lateral and boundary conditions were obtained from the numerical output of the Consortium for Small-scale Modeling (COSMO) model at 7 km horizontal resolution. The WRF model was run for January and July 2013 at two horizontal resolutions (3 and 1 km). The numerical forecasts of the WRF model were evaluated using different statistical scores for 2 m temperature and 10 m wind speed. Results showed a tendency of the WRF model to overestimate the values of the analyzed parameters in comparison to observations.
C1 [Iriza, Amalia; Stefan, Sabina] Univ Bucharest, Fac Phys, POB MG 11, Bucharest, Romania.
[Iriza, Amalia; Dumitrache, Rodica C.; Lupascu, Aurelia] Natl Meteorol Adm, Sos Bucuresti Ploiesti 97, Bucharest, Romania.
[Lupascu, Aurelia] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Iriza, A (reprint author), Univ Bucharest, Fac Phys, POB MG 11, Bucharest, Romania.; Iriza, A (reprint author), Natl Meteorol Adm, Sos Bucuresti Ploiesti 97, Bucharest, Romania.
EM amalia.iriza@meteoromania.ro
NR 26
TC 0
Z9 0
U1 4
U2 5
PU CENTRO CIENCIAS ATMOSFERA UNAM
PI MEXICO CITY
PA CIRCUITO EXTERIOR, MEXICO CITY CU 04510, MEXICO
SN 0187-6236
J9 ATMOSFERA
JI Atmosfera
PD JAN
PY 2016
VL 29
IS 1
BP 11
EP 21
PG 11
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA DO9RI
UT WOS:000378124100002
ER
PT J
AU Jardine, KJ
Jardine, AB
Souza, VF
Carneiro, V
Ceron, JV
Gimenez, BO
Soares, CP
Durgante, FM
Higuchi, N
Manzi, AO
Goncalves, JFC
Garcia, S
Martin, ST
Zorzanelli, RF
Piva, LR
Chambers, JQ
AF Jardine, Kolby J.
Jardine, Angela B.
Souza, Vinicius F.
Carneiro, Vilany
Ceron, Joao V.
Gimenez, Bruno O.
Soares, Cilene P.
Durgante, Flavia M.
Higuchi, Niro
Manzi, Antonio O.
Goncalves, Jose F. C.
Garcia, Sabrina
Martin, Scot T.
Zorzanelli, Raquel F.
Piva, Luani R.
Chambers, Jeff Q.
TI Methanol and isoprene emissions from the fast growing tropical pioneer
species Vismia guianensis (Aubl.) Pers. (Hypericaceae) in the central
Amazon forest
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID DIFFERENTIATION BALANCE HYPOTHESIS; ORGANIC-COMPOUND EMISSIONS; LEAF
LIFE-SPAN; HEVEA-BRASILIENSIS; EASTERN AMAZONIA; ATMOSPHERIC CO2;
CLIMATE-CHANGE; CARBON SINK; RAIN-FOREST; CELL-WALL
AB Isoprene (Is) emissions by plants represent a loss of carbon and energy resources leading to the initial hypothesis that fast growing pioneer species in secondary tropical forests allocate carbon primarily to growth at the expense of isoprenoid defenses. In this study, we quantified leaf isoprene and methanol emissions from the abundant pantropical pioneer tree species Vismia guianensis and ambient isoprene concentrations above a diverse secondary forest in the central Amazon. As photosynthetically active radiation (PAR) was varied (0 to 3000aEuro-A mu molaEuro-m(-2)aEuro-s(-1)) under standard leaf temperature (30aEuro-A degrees C), isoprene emissions from V. guianensis increased without saturation up to 80aEuro-nmolaEuro-m(-2)aEuro-s(-1). A nonlinear increase in isoprene emissions with respect to net photosynthesis (Pn) resulted in the fraction of Pn dedicated to isoprene emissions increasing with light intensity (up to 2aEuro-% of Pn). Emission responses to temperature under standard light conditions (PAR of 1000aEuro-A mu molaEuro-m(-2)aEuro-s(-1)) resulted in the classic uncoupling of isoprene emissions (T(opt, iso)aEuro-> aEuro-40aEuro-A degrees C) from net photosynthesis (T-opt,T- Pn = 30.0-32.5aEuro-A degrees C) with up to 7aEuro-% of Pn emitted as isoprene at 40aEuro-A degrees C. Under standard environmental conditions of PAR and leaf temperature, young V. guianensis leaves showed high methanol emissions, low Pn, and low isoprene emissions. In contrast, mature leaves showed high Pn, high isoprene emissions, and low methanol emissions, highlighting the differential control of leaf phenology over methanol and isoprene emissions. High daytime ambient isoprene concentrations (11aEuro-ppbv) were observed above a secondary Amazon rainforest, suggesting that isoprene emissions are common among neotropical pioneer species. The results are not consistent with the initial hypothesis and support a functional role of methanol during leaf expansion and the establishment of photosynthetic machinery and a protective role of isoprene for photosynthesis during high temperature extremes regularly experienced in secondary rainforest ecosystems.
C1 [Jardine, Kolby J.; Chambers, Jeff Q.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Climate & Ecosyst Sci Div, One Cyclotron Rd, Berkeley, CA 94720 USA.
[Jardine, Angela B.; Souza, Vinicius F.; Carneiro, Vilany; Ceron, Joao V.; Gimenez, Bruno O.; Soares, Cilene P.; Durgante, Flavia M.; Higuchi, Niro; Manzi, Antonio O.; Goncalves, Jose F. C.; Garcia, Sabrina; Zorzanelli, Raquel F.; Piva, Luani R.] Natl Inst Amazon Res INPA, Ave Andre Araujo 2936,Campus 2,Bldg LBA, BR-6908097 Manaus, AM, Brazil.
[Martin, Scot T.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA.
[Martin, Scot T.] Harvard Univ, Dept Earth & Planetary Sci, 20 Oxford St, Cambridge, MA 02138 USA.
[Chambers, Jeff Q.] Univ Calif Berkeley, Dept Geog, 507 McCone Hall 4740, Berkeley, CA 94720 USA.
RP Jardine, KJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Climate & Ecosyst Sci Div, One Cyclotron Rd, Berkeley, CA 94720 USA.
EM kjjardine@lbl.gov
RI Chambers, Jeffrey/J-9021-2014; Martin, Scot/G-1094-2015; Jardine,
Kolby/N-2802-2013;
OI Chambers, Jeffrey/0000-0003-3983-7847; Martin, Scot/0000-0002-8996-7554;
Jardine, Kolby/0000-0001-8491-9310; Gimenez, Bruno/0000-0001-7336-9448
FU Central Office of the Large Scale Biosphere Atmosphere Experiment in
Amazonia (LBA); Instituto Nacional de Pesquisas da Amazonia (INPA);
Universidade do Estado do Amazonia (UEA); GoAmazon [2014/5]; Next
Generation Ecosystem Experiments - Tropics (NGEE-Tropics) - US
Department of Energy, Office of Science, Office of Biological and
Environmental Research, as part of DOE's Terrestrial Ecosystem Science
Program [DE-AC02-05CH11231]
FX We acknowledge the support from the Central Office of the Large Scale
Biosphere Atmosphere Experiment in Amazonia (LBA), the Instituto
Nacional de Pesquisas da Amazonia (INPA), and the Universidade do Estado
do Amazonia (UEA). We would like to especially thank INPA researchers
Giordane Martins and Ana Paula Florentino for introducing our team to
the fascinating science involving the fast growing pioneer species
Vismia guianensis. This material is based upon work supported as part of
the GoAmazon 2014/5 and the Next Generation Ecosystem Experiments -
Tropics (NGEE-Tropics) funded by the US Department of Energy, Office of
Science, Office of Biological and Environmental Research, through
contract no. DE-AC02-05CH11231 to LBNL, as part of DOE's Terrestrial
Ecosystem Science Program.
NR 81
TC 2
Z9 2
U1 4
U2 9
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 2016
VL 16
IS 10
BP 6441
EP 6452
DI 10.5194/acp-16-6441-2016
PG 12
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA DP2WL
UT WOS:000378354100025
ER
PT J
AU Cappa, CD
Kolesar, KR
Zhang, XL
Atkinson, DB
Pekour, MS
Zaveri, RA
Zelenyuk, A
Zhang, Q
AF Cappa, Christopher D.
Kolesar, Katheryn R.
Zhang, Xiaolu
Atkinson, Dean B.
Pekour, Mikhail S.
Zaveri, Rahul A.
Zelenyuk, Alla
Zhang, Qi
TI Understanding the optical properties of ambient sub- and supermicron
particulate matter: results from the CARES 2010 field study in northern
California
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID FILTER-BASED MEASUREMENTS; PARTICLE SOOT PHOTOMETER; VISIBLE-LIGHT
ABSORPTION; BLACK CARBON; BROWN CARBON; ANGSTROM EXPONENT; COMPREHENSIVE
CHARACTERIZATION; SUBMICRON PARTICLES; AIRCRAFT INSTRUMENT; BIOGENIC
EMISSIONS
AB Measurements of the optical properties (absorption, scattering and extinction) of PM1, PM2.5 and PM10 made at two sites around Sacramento, CA, during the June 2010 Carbonaceous Aerosols and Radiative Effects Study (CARES) are reported. These observations are used to establish relationships between various intensive optical properties and to derive information about the dependence of the optical properties on photochemical aging and sources. Supermicron particles contributed substantially to the total light scattering at both sites, about 50% on average. A strong, linear relationship is observed between the scattering Angstrom exponent for PM10 and the fraction of the scattering that is contributed by submicron particles (f(sca), PM1) at both sites and with similar slopes and intercepts (for a given pair of wavelengths), suggesting that the derived relationship may be generally applicable for understanding variations in particle size distributions from remote sensing measurements. At the more urban T0 site, the fsca; PM1 increased with photochemical age, whereas at the downwind, more rural T1 site the f(sca), PM1 decreased slightly with photochemical age. This difference in behavior reflects differences in transport, local production and local emission of supermicron particles between the sites. Light absorption is dominated by submicron particles, but there is some absorption by supermicron particles (similar to 15% of the total). The supermicron absorption derives from a combination of black carbon that has penetrated into the supermicron mode and from dust, and there is a clear increase in the mass absorption coefficient of just the supermicron particles with increasing average particle size. The mass scattering coefficient (MSC) for the supermicron particles was directly observed to vary inversely with the average particle size, demonstrating that MSC cannot always be treated as a constant in estimating mass concentrations from scattering measurements, or vice versa. The total particle backscatter fraction exhibited some dependence upon the relative abundance of sub-versus supermicron particles; however this was modulated by variations in the median size of particles within a given size range; variations in the submicron size distribution had a particularly large influence on the observed backscatter efficiency and an approximate method to account for this variability is introduced. The relationship between the absorption and scattering Angstrom exponents is examined and used to update a previously suggested particle classification scheme. Differences in composition led to differences in the sensitivity of PM2.5 to heating in a thermodenuder to the average particle size, with more extensive evaporation (observed as a larger decrease in the PM2.5 extinction coefficient) corresponding to smaller particles; i.e., submicron particles were generally more susceptible to heating than the supermicron particles. The influence of heating on the particle hygroscopicity varied with the effective particle size, with larger changes observed when the PM2.5 distribution was dominated by smaller particles.
C1 [Cappa, Christopher D.; Kolesar, Katheryn R.; Zhang, Xiaolu] Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA.
[Atkinson, Dean B.] Portland State Univ, Dept Chem, Portland, OR 97207 USA.
[Pekour, Mikhail S.; Zaveri, Rahul A.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Zelenyuk, Alla] Pacific NW Natl Lab, Phys Sci Div, Richland, WA 99352 USA.
[Zhang, Qi] Univ Calif Davis, Dept Environm Toxicol, Davis, CA 95616 USA.
[Kolesar, Katheryn R.] Univ Michigan, Dept Chem, Ann Arbor, MI 48109 USA.
RP Cappa, CD (reprint author), Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA.
EM cdcappa@ucdavis.edu
FU Atmospheric System Research (ASR) program - US Department of Energy
(DOE), Office of Biological and Environmental Research (OBER)
[DE-SC0008937]; US DOE's Atmospheric Radiation Measurement (ARM)
Program; U.S. Department of Energy [DE-AC06-76RLO 1830]
FX This work was supported by the Atmospheric System Research (ASR) program
sponsored by the US Department of Energy (DOE), Office of Biological and
Environmental Research (OBER), including grant no. DE-SC0008937. The
authors acknowledge W. Berk Knighton for the PTR-MS data at the T1 site,
R. Subramanian for the SP2 data, Ari Setyan for collection of the SMPS
data at the T1 site and B. Tom Jobson for the NOx,
NOy, PTR-MS and meteorological data at the T0 site. The
authors acknowledge the NOAA Air Resources Laboratory (ARL) for the
provision of the HYSPLIT transport and dispersion model
(http://www.ready.noaa.gov) used in this publication. The backscattering
Mie calculations were performed using MiePlot from Philip Laven
(http://www.philiplaven.com/mieplot.htm). Funding for data collection
was provided by the US DOE's Atmospheric Radiation Measurement (ARM)
Program. All data used in this study are available from the ARM data
archive at http://www.arm.gov/campaigns/aaf2009carbonaerosol. Pacific
Northwest National Laboratory is operated for the U.S. Department of
Energy by Battelle Memorial Institute under contract DE-AC06-76RLO 1830.
The views expressed in this document are solely those of the authors and
the funding agencies do not endorse any products or commercial services
mentioned in this publication.
NR 81
TC 0
Z9 0
U1 9
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 2016
VL 16
IS 10
BP 6511
EP 6535
DI 10.5194/acp-16-6511-2016
PG 25
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA DP2WL
UT WOS:000378354100029
ER
PT J
AU Cecchini, MA
Machado, LAT
Comstock, JM
Mei, F
Wang, J
Fan, JW
Tomlinson, JM
Schmid, B
Albrecht, R
Martin, ST
Artaxo, P
AF Cecchini, Micael A.
Machado, Luiz A. T.
Comstock, Jennifer M.
Mei, Fan
Wang, Jian
Fan, Jiwen
Tomlinson, Jason M.
Schmid, Beat
Albrecht, Rachel
Martin, Scot T.
Artaxo, Paulo
TI Impacts of the Manaus pollution plume on the microphysical properties of
Amazonian warm-phase clouds in the wet season
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID CONVECTIVE CLOUDS; OZONE PRODUCTION; AEROSOLS; PRECIPITATION;
ATMOSPHERE; OXIDATION; ISOPRENE; HYDROCARBONS; CHEMISTRY; PRODUCTS
AB The remote atmosphere over the Amazon can be similar to oceanic regions in terms of aerosol conditions and cloud type formations. This is especially true during the wet season. The main aerosol-related disturbances over the Amazon have both natural sources, such as dust transport from Africa, and anthropogenic sources, such as biomass burning or urban pollution. The present work considers the impacts of the latter on the microphysical properties of warm-phase clouds by analysing observations of the interactions between the Manaus pollution plume and its surroundings, as part of the GoAmazon2014/5 Experiment. The analysed period corresponds to the wet season (specifically from February to March 2014 and corresponding to the first Intensive Operating Period (IOP1) of GoAmazon2014/5). The droplet size distributions reported are in the range 1aEuro-A mu maEuro-a parts per thousand currency signaEuro-DaEuro-a parts per thousand currency signaEuro-50aEuro-A mu m in order to capture the processes leading up to the precipitation formation. The wet season largely presents a clean background atmosphere characterized by frequent rain showers. As such, the contrast between background clouds and those affected by the Manaus pollution can be observed and detailed. The focus is on the characteristics of the initial microphysical properties in cumulus clouds predominantly at their early stages. The pollution-affected clouds are found to have smaller effective diameters and higher droplet number concentrations. The differences range from 10 to 40aEuro-% for the effective diameter and are as high as 1000aEuro-% for droplet concentration for the same vertical levels. The growth rates of droplets with altitude are slower for pollution-affected clouds (2.90 compared to 5.59aEuro-A mu maEuro-km(-1)), as explained by the absence of bigger droplets at the onset of cloud development. Clouds under background conditions have higher concentrations of larger droplets (> aEuro-20aEuro-A mu m) near the cloud base, which would contribute significantly to the growth rates through the collision-coalescence process. The overall shape of the droplet size distribution (DSD) does not appear to be predominantly determined by updraught strength, especially beyond the 20aEuro-A mu m range. The aerosol conditions play a major role in that case. However, the updraughts modulate the DSD concentrations and are responsible for the vertical transport of water in the cloud. The larger droplets found in background clouds are associated with weak water vapour competition and a bimodal distribution of droplet sizes in the lower levels of the cloud, which enables an earlier initiation of the collision-coalescence process. This study shows that the pollution produced by Manaus significantly affects warm-phase microphysical properties of the surrounding clouds by changing the initial DSD formation. The corresponding effects on ice-phase processes and precipitation formation will be the focus of future endeavours.
C1 [Cecchini, Micael A.; Machado, Luiz A. T.] Natl Inst Space Res INPE, Ctr Weather Forecasting & Climate Res CPTEC, Sao Jose Dos Campos, Brazil.
[Comstock, Jennifer M.; Mei, Fan; Fan, Jiwen; Tomlinson, Jason M.; Schmid, Beat] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Wang, Jian] Brookhaven Natl Lab, Atmospher Sci Div, Upton, NY 11973 USA.
[Martin, Scot T.] Harvard Univ, Dept Earth & Planetary Sci, Sch Engn & Appl Sci, 20 Oxford St, Cambridge, MA 02138 USA.
[Albrecht, Rachel] Univ Sao Paulo, Inst Astron Geofis & Ciencias Atmosfer IAG, Sao Paulo, Brazil.
[Artaxo, Paulo] Univ Sao Paulo, Inst Fis, Sao Paulo, Brazil.
RP Cecchini, MA (reprint author), Natl Inst Space Res INPE, Ctr Weather Forecasting & Climate Res CPTEC, Sao Jose Dos Campos, Brazil.
EM micael.cecchini@cptec.inpe.br
RI Martin, Scot/G-1094-2015; Fan, Jiwen/E-9138-2011; Artaxo,
Paulo/E-8874-2010; Cecchini, Micael/C-6103-2015; Wang, Jian/G-9344-2011
OI Martin, Scot/0000-0002-8996-7554; Artaxo, Paulo/0000-0001-7754-3036;
Cecchini, Micael/0000-0002-0219-2857;
FU FAPESP [2014/08615-7, 2009/15235-8]; Atmospheric Radiation Measurement
(ARM) Climate Research Facility, a US Department of Energy Office of
Science by Office of Biological and Environmental Research; Central
Office of the Large Scale Biosphere Atmosphere Experiment in Amazonia
(LBA); Instituto Nacional de Pesquisas da Amazonia (INPA); Instituto
Nacional de Pesquisas Espaciais (INPE); US Department of Energy Office
of Science Atmospheric System Research (ASR) Program
FX This work was funded by FAPESP (project Grant 2014/08615-7 and
2009/15235-8), and the Atmospheric Radiation Measurement (ARM) Climate
Research Facility, a US Department of Energy Office of Science user
facility sponsored by the Office of Biological and Environmental
Research. We acknowledge the support from the Central Office of the
Large Scale Biosphere Atmosphere Experiment in Amazonia (LBA), the
Instituto Nacional de Pesquisas da Amazonia (INPA), and the Instituto
Nacional de Pesquisas Espaciais (INPE). The work was conducted under
001262/2012-2 of the Brazilian National Council for Scientific and
Technological Development (CNPq). Jiwen Fan was supported by the US
Department of Energy Office of Science Atmospheric System Research (ASR)
Program. We thank Karla M. Longo for her leadership in the Brazilian
side of the GoAmazon2014/5.
NR 30
TC 1
Z9 1
U1 6
U2 15
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 2016
VL 16
IS 11
BP 7029
EP 7041
DI 10.5194/acp-16-7029-2016
PG 13
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA DP2WQ
UT WOS:000378354600023
ER
PT J
AU Bishop, JKB
Fong, MB
Wood, TJ
AF Bishop, James K. B.
Fong, Michael B.
Wood, Todd J.
TI Robotic observations of high wintertime carbon export in California
coastal waters
SO BIOGEOSCIENCES
LA English
DT Article
ID NEUTRALLY BUOYANT; PARTICLE FLUXES; SEDIMENT TRAPS; MARINE SNOW;
PARTICULATE MATTER; NORTHEAST PACIFIC; SOUTHERN-OCEAN; TWILIGHT ZONE;
DEEP-OCEAN; BASIN
AB Biologically mediated particulate organic and inorganic carbon (POC and PIC) export from surface waters is the principal determinant of the vertical oceanic distribution of pH and dissolved inorganic carbon and thus sets the conditions for air-sea exchange of CO2; exported organic matter also provides the energy fueling communities in the mesopelagic zone. However, observations are temporally and spatially sparse. Here we report the first hourly-resolved optically quantified POC and PIC sedimentation rate time series from an autonomous Lagrangian Carbon Flux Explorer (CFE), which monitored particle flux using an imaging optical sedimentation recorder (OSR) at depths below 140aEuro-m in the Santa Cruz Basin, CA, in May 2012, and in January and March 2013. Highest POC vertical flux (similar to aEuro parts per thousand aEuro-100-240aEuro-mmolaEuro-CaEuro-m(-2)aEuro-d(-1)) occurred in January, when most settling material was millimeter- to centimeter-sized aggregates but when surface biomass was low; fluxes were similar to aEuro parts per thousand aEuro-18 and similar to aEuro parts per thousand aEuro-6aEuro-mmolaEuro-CaEuro-m(-2)aEuro-d(-1), respectively, in March and May, under high surface biomass conditions. An unexpected discovery was that January 2013 fluxes measured by CFE were 20 times higher than that measured by simultaneously deployed surface-tethered OSR; multiple lines of evidence indicate strong undersampling of aggregates larger than 1aEuro-mm in the latter case. Furthermore, the January 2013 CFE fluxes were about 10 times higher than observed during multiyear sediment trap observations in the nearby Santa Barbara and San Pedro basins. The strength of carbon export in biologically dynamic California coastal waters is likely underestimated by at least a factor of 3 and at times by a factor of 20.
C1 [Bishop, James K. B.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.
[Bishop, James K. B.; Wood, Todd J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Fong, Michael B.] Univ Calif San Diego, Scripps Inst Oceanog, Dept Chem, La Jolla, CA 92093 USA.
RP Bishop, JKB (reprint author), Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.; Bishop, JKB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
EM jkbishop@berkeley.edu
FU National Science Foundation [OCE-0936143]
FX The CFE was developed in close collaboration with Mike McClune and Russ
Davis of the Scripps Institution of Oceanography Instrument Development
Group. OSR design and construction had critical contributions from the
Electrical and Mechanical engineering groups and machine shop facilities
at Lawrence Berkeley National Laboratory. Alex Morales (LBNL) and 25 UC
Berkeley undergraduates facilitated CFE and BUOY-OSR deployments and
recoveries at sea. In particular, Gabrielle Weiss, Amelia Weiss, Andrew
Bower, and Christina Hamilton contributed both at sea and in the
laboratory; we also thank the resident technicians, crews, and captains
of the R/V New Horizon for assistance. Jules Hummon (U Hawaii) assisted
with ADCP data reprocessing. Hannah Bourne (UC Berkeley) cross-checked
ADCP and BUOY-OSR current shear calculations. We thank Mati Kahru (SIO)
for access to kilometer-scale chlorophyll data for our study area. We
thank the three anonymous reviewers for their contributions. The CFE
data sets and animated image videos are posted as a Supplement.
Undergraduate participation in cruises was facilitated by the UC
Berkeley Undergraduate Research Apprentice Program and by the Earth and
Planetary Science Department Ramsden fund. All work reported here was
sponsored by National Science Foundation grant OCE-0936143 (JKBB).
NR 42
TC 0
Z9 0
U1 3
U2 6
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
EI 1726-4189
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2016
VL 13
IS 10
BP 3109
EP 3129
DI 10.5194/bg-13-3109-2016
PG 21
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA DP2WT
UT WOS:000378354900016
ER
PT B
AU Kent, SM
AF Kent, Stephen M.
BE Deustua, S
Allam, S
Tucker, D
Smith, JA
TI The Science of Calibration
SO CALIBRATION AND STANDARDIZATION OF MISSIONS AND LARGE SURVEYS IN
ASTRONOMY AND ASTROPHYSICS
SE Astronomical Society of the Pacific Conference Series
LA English
DT Proceedings Paper
CT Conference on Calibration an Standardization of Missions and Large
Surveys in Astronomy and Astrophysics
CY APR 16-19, 2012
CL Fermi Natl Accelerator Lab, Batavia, IL
HO Fermi Natl Accelerator Lab
ID IRRADIANCE CALIBRATION; SYSTEM
AB This paper presents a broad overview of the many issues involved in calibrating astronomical data, covering the full electromagnetic spectrum from radio waves to gamma rays, and considering both ground-based and space-based missions. These issues include the science drivers for absolute and relative calibration, the physics behind calibration and the mechanisms used to transfer it from the laboratory to an astronomical source, the need for networks of calibrated astronomical standards, and some of the challenges faced by large surveys and missions.
C1 [Kent, Stephen M.] Fermilab Natl Accelerator Lab, MS 127,POB 500, Batavia, IL 60510 USA.
RP Kent, SM (reprint author), Fermilab Natl Accelerator Lab, MS 127,POB 500, Batavia, IL 60510 USA.
NR 29
TC 0
Z9 0
U1 1
U2 1
PU ASTRONOMICAL SOC PACIFIC
PI SAN FRANCISCO
PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA
BN 978-1-58381-890-9
J9 ASTR SOC P
PY 2016
VL 503
BP 3
EP 11
PG 9
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA BE9RP
UT WOS:000378098600001
ER
PT B
AU Allam, SS
Tucker, DL
AF Allam, Sahar S.
Tucker, Douglas L.
CA PreCam Team
DES Collaboration
BE Deustua, S
Allam, S
Tucker, D
Smith, JA
TI PreCam: A Step Towards the Photometric Calibration of the Dark Energy
Survey
SO CALIBRATION AND STANDARDIZATION OF MISSIONS AND LARGE SURVEYS IN
ASTRONOMY AND ASTROPHYSICS
SE Astronomical Society of the Pacific Conference Series
LA English
DT Proceedings Paper
CT Conference on Calibration an Standardization of Missions and Large
Surveys in Astronomy and Astrophysics
CY APR 16-19, 2012
CL Fermi Natl Accelerator Lab, Batavia, IL
HO Fermi Natl Accelerator Lab
AB The Dark Energy Survey (DES) will be taking the next step in probing the properties of Dark Energy and in understanding the physics of cosmic acceleration. A step towards the photometric calibration of DES is to have a quick, bright survey in the DES footprint (PreCam), using a pre-production set of the Dark Energy Camera (DE Cam) CCDs and a set of 100 mmx100 mm DES filters. The objective of the PreCam Survey is to create a network of calibrated DES grizY standard stars that will be used for DES nightly calibrations and to improve the DES global relative calibrations. Here, we describe the first year of PreCam observation, results, and photometric calibrations.
C1 [Allam, Sahar S.; Tucker, Douglas L.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
RP Allam, SS (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
NR 16
TC 0
Z9 0
U1 0
U2 0
PU ASTRONOMICAL SOC PACIFIC
PI SAN FRANCISCO
PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA
BN 978-1-58381-890-9
J9 ASTR SOC P
PY 2016
VL 503
BP 85
EP 97
PG 13
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA BE9RP
UT WOS:000378098600008
ER
PT B
AU Marriner, J
AF Marriner, John
BE Deustua, S
Allam, S
Tucker, D
Smith, JA
TI Sloan Digital Sky Survey Photometric Calibration Revisited
SO CALIBRATION AND STANDARDIZATION OF MISSIONS AND LARGE SURVEYS IN
ASTRONOMY AND ASTROPHYSICS
SE Astronomical Society of the Pacific Conference Series
LA English
DT Proceedings Paper
CT Conference on Calibration an Standardization of Missions and Large
Surveys in Astronomy and Astrophysics
CY APR 16-19, 2012
CL Fermi Natl Accelerator Lab, Batavia, IL
HO Fermi Natl Accelerator Lab
ID DATA RELEASE
AB The Sloan Digital Sky Survey calibration is revisited to obtain the most accurate photometric calibration. A small but significant error is found in the fiat-fielding of the Photometric telescope used for calibration. Two SDSS star catalogs are compared and the average difference in magnitude as a function of right ascension and declination exhibits small systematic errors in relative calibration. The photometric transformation from the SDSS Photometric Telescope to the 2.5 m telescope is recomputed and compared to synthetic magnitudes computed from measured filter bandpasses.
C1 [Marriner, John] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
RP Marriner, J (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
NR 11
TC 0
Z9 0
U1 0
U2 0
PU ASTRONOMICAL SOC PACIFIC
PI SAN FRANCISCO
PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA
BN 978-1-58381-890-9
J9 ASTR SOC P
PY 2016
VL 503
BP 157
EP 164
PG 8
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA BE9RP
UT WOS:000378098600014
ER
PT J
AU Naeem, A
Ting, VP
Hintermair, U
Tian, M
Telford, R
Halim, S
Nowell, H
Holynska, M
Teat, SJ
Scowen, IJ
Nayak, S
AF Naeem, Ayesha
Ting, Valeska P.
Hintermair, Ulrich
Tian, Mi
Telford, Richard
Halim, Saaiba
Nowell, Harriott
Holynska, Malgorzata
Teat, Simon J.
Scowen, Ian J.
Nayak, Sanjit
TI Mixed-linker approach in designing porous zirconium-based metal-organic
frameworks with high hydrogen storage capacity
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID SITES; STABILITY; CAPTURE
AB Three highly porous Zr(IV)-based metal-organic frameworks, UBMOF-8, UBMOF-9, and UBMOF-31, were synthesized by using 2,2'-diamino-4,4'- stilbenedicarboxylic acid, 4,4'-stilbenedicarboxylic acid, and combination of both linkers, respectively. The mixed-linker UBMOF-31 showed excellent hydrogen uptake of 4.9 wt% and high selectivity for adsorption of CO2 over N-2 with high thermal stability and moderate water stability with permanent porosity and surface area of 2552 m(2) g(-1).
C1 [Naeem, Ayesha; Telford, Richard; Halim, Saaiba; Nayak, Sanjit] Univ Bradford, Sch Chem & Forens Sci, Richmond Rd, Bradford BD7 1DP, W Yorkshire, England.
[Ting, Valeska P.; Tian, Mi] Univ Bath, Dept Chem Engn, Bath BA2 7AY, Avon, England.
[Hintermair, Ulrich] Univ Bath, Ctr Sustainable Chem Technol, Bath BA2 7AY, Avon, England.
[Nowell, Harriott] Diamond Light Source, Didcot OX11 0DE, Oxon, England.
[Holynska, Malgorzata] Univ Marburg, Fachbereich Chem, Hans Meerwein Str, D-35043 Marburg, Germany.
[Holynska, Malgorzata] Univ Marburg, Wissensch Zentrum Mat Wissensch, Hans Meerwein Str, D-35043 Marburg, Germany.
[Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Scowen, Ian J.] Lincoln Univ, Sch Chem, Lincoln LN6 7TS, Lincs, England.
RP Nayak, S (reprint author), Univ Bradford, Sch Chem & Forens Sci, Richmond Rd, Bradford BD7 1DP, W Yorkshire, England.
EM s.nayak@bradford.ac.uk
RI Nayak, Sanjit/C-4591-2011; Ting, Valeska/C-8665-2011
OI Nayak, Sanjit/0000-0002-0342-9860; Ting, Valeska/0000-0003-3049-0939
FU Royal Society of Chemistry; University of Bath; H2FC SUPERGEN Hub
[EP/E040071/1]; Office of Science, Office of Basic Energy Sciences, of
the U.S. Department of Energy [DE-AC02-05CH11231]
FX SN thanks the Royal Society of Chemistry for financial support. VPT and
UH thank the University of Bath for funding through a Prize Research
Fellowship and Whorrod Research Fellowship, respectively. MT thanks
support from the H2FC SUPERGEN Hub (EP/E040071/1). 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 28
TC 2
Z9 2
U1 11
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 2016
VL 52
IS 50
BP 7826
EP 7829
DI 10.1039/c6cc03787a
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA DP2CH
UT WOS:000378295200014
PM 27242066
ER
PT J
AU Arnold, J
Nenoff, TM
AF Arnold, John
Nenoff, Tina M.
TI 2016 New talent Americas across academia and the US National
Laboratories
SO DALTON TRANSACTIONS
LA English
DT Editorial Material
C1 [Arnold, John] Univ Calif Berkeley, Berkeley, CA 94720 USA.
[Nenoff, Tina M.] Sandia Natl Labs, Livermore, CA 94550 USA.
RP Arnold, J (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA.
EM arnold@berkeley.edu; tmnenof@sandia.gov
RI Arnold, John/F-3963-2012
OI Arnold, John/0000-0001-9671-227X
NR 0
TC 0
Z9 0
U1 3
U2 7
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
EI 1477-9234
J9 DALTON T
JI Dalton Trans.
PY 2016
VL 45
IS 24
BP 9743
EP 9743
DI 10.1039/c6dt90079h
PG 1
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DP1UX
UT WOS:000378276000001
PM 27271558
ER
PT J
AU Dutta, A
Ginovska, B
Raugei, S
Roberts, JAS
Shaw, WJ
AF Dutta, Arnab
Ginovska, Bojana
Raugei, Simone
Roberts, John A. S.
Shaw, Wendy J.
TI Optimizing conditions for utilization of an H-2 oxidation catalyst with
outer coordination sphere functionalities
SO DALTON TRANSACTIONS
LA English
DT Article
ID HYDROGEN-PRODUCTION; ELECTROCATALYSTS; ENERGY; MODEL; COMPLEXES; WATER;
OXIDATION/PRODUCTION; APPROXIMATION; EVOLUTION
AB As a starting point for evaluating a broader range of conditions for H-2 oxidation complexes, in this work we investigate an efficient and reversible Ni-based H-2 oxidation and production complex with an arginine in the outer coordination sphere, [Ni((P2N2Arginine)-N-Cy)(2)](7+) (CyArg). We tested this complex under a wide range of pressures and temperatures, in two different solvents (methanol and water), to determine if simultaneous improvements in rate and overpotential could be achieved. We found that the optimal conditions combined both high temperature (72 degrees C) and pressure (100 atm H-2) in acidic aqueous solution (pH = 1), resulting in the fastest H-2 oxidation reported for any homogeneous electrocatalyst to date (TOF 1.1 x 10(6) s(-1)) operating at 240 mV overpotential. The activation free energy in water was determined to be 10 kcal mol(-1) at all pressures studied. Surprisingly, in methanol under the same temperature and pressure, CyArg had a TOF for H-2 oxidation of only 280 s(-1) at an overpotential of 750 mV. Comparisons to the data in water, and to a control complex, [Ni((P2N2Benzyl)-N-Cy)(2)](2+) (CyBn; Bn = benzyl), suggest that this substantial difference is likely due to a change in rate limiting step from H-2 addition to deprotonation. Importantly, the optimal conditions we identified for CyArg (elevated temperature and acidic aqueous solutions), are amenable to fuel cell technologies and provide an important advancement in implementing homogeneous synthetic catalysts for renewable energy.
C1 [Dutta, Arnab; Ginovska, Bojana; Raugei, Simone; Roberts, John A. S.; Shaw, Wendy J.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Shaw, WJ (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM Wendy.shaw@pnnl.gov
FU Office of Science Early Career Research Program through US Department of
Energy (US DOE), Office of Science, Office of Basic Energy Sciences;
Center for Molecular Electrocatalysis, an Energy Frontier Research
Center - US DOE, Office of Science, Office of Basic Energy Sciences
FX This work was funded by the Office of Science Early Career Research
Program through the US Department of Energy (US DOE), Office of Science,
Office of Basic Energy Sciences (AD, BG, WJS), and the Center for
Molecular Electrocatalysis, an Energy Frontier Research Center funded by
the US DOE, Office of Science, Office of Basic Energy Sciences (JASR,
SR). Pacific Northwest National Laboratory is operated by Battelle for
the US Department of Energy.
NR 41
TC 5
Z9 5
U1 5
U2 8
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
EI 1477-9234
J9 DALTON T
JI Dalton Trans.
PY 2016
VL 45
IS 24
BP 9786
EP 9793
DI 10.1039/c6dt00280c
PG 8
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DP1UX
UT WOS:000378276000009
PM 26905754
ER
PT J
AU Brown, JL
Montgomery, AC
Samaan, CA
Janicke, MT
Scott, BL
Gaunt, AJ
AF Brown, Jessie L.
Montgomery, Ashley C.
Samaan, Christopher A.
Janicke, Michael T.
Scott, Brian L.
Gaunt, Andrew J.
TI Synthesis and characterization of potassium aryl- and alkyl-substituted
silylchalcogenolate ligands
SO DALTON TRANSACTIONS
LA English
DT Article
ID CRYSTAL-STRUCTURES; STRUCTURAL DIVERSITY; COMPLEXES; SILICON; SE;
CHEMISTRY; SILYL; COORDINATION; CLEAVAGE; CLUSTERS
AB Treatment of either triphenyl(chloro)silane or tert-butyldiphenyl(chloro)silane with potassium metal in THF, followed by addition of 18-crown-6, affords [K(18-crown-6)][SiPh3] (1) and [K(18-crown-6)][(SiPh2Bu)-Bu-t] (2), respectively, as the reaction products in high yield. Compounds 1 and 2 were fully characterized including by multi-nuclear NMR, UV/vis and IR spectroscopies. Addition of elemental chalcogen to either 1 or 2, results in facile chalcogen insertion into the potassium-silicon bond to afford the silylchalcogenolates, [K(18-crown-6)][E-SiPh2R] (E = S, R = Ph (3); E = Se, R = Ph (4); E = Te, R = Ph (5); E = S, R = Bu-t (6); E = Se, R = Bu-t (7); E = Te, R = Bu-t (8)), in moderate to good yield. The silylchalcogenolates reported herein were characterized by multi-nuclear NMR, UV/vis and IR spectroscopies, and their solid-state molecular structures were determined by single-crystal X-ray crystallography. Importantly, the reported compounds crystallize as discrete monomers in the solid-state, a structural feature not previously observed in silylchalcogenolates, providing well-defined access routes into systematic metal complexation studies.
C1 [Brown, Jessie L.; Janicke, Michael T.; Gaunt, Andrew J.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA.
[Brown, Jessie L.; Montgomery, Ashley C.; Samaan, Christopher A.] Transylvania Univ, Nat Sci & Math Div, Dept Chem, Lexington, KY 40508 USA.
[Scott, Brian L.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
RP Gaunt, AJ (reprint author), Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA.
EM gaunt@lanl.gov
RI Scott, Brian/D-8995-2017;
OI Scott, Brian/0000-0003-0468-5396; Janicke, Michael/0000-0002-3139-2882;
Gaunt, Andrew/0000-0001-9679-6020
FU U.S. Department of Energy, Office of Science, Basic Energy Sciences,
Early Career Program; Heavy Element Chemistry Program
[DE-AC5206NA25396]; G. T. Seaborg Institute at Los Alamos National
Laboratory; Kenan Fund for Faculty and Student Enrichment
FX We thank the U.S. Department of Energy, Office of Science, Basic Energy
Sciences, Early Career Program (research activities) and the Heavy
Element Chemistry Program (manuscript preparation) under contract
DE-AC5206NA25396. J. L. B. thanks the G. T. Seaborg Institute at Los
Alamos National Laboratory for a Postdoctoral Fellowship and the Kenan
Fund for Faculty and Student Enrichment.
NR 50
TC 0
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U1 0
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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 2016
VL 45
IS 24
BP 9841
EP 9852
DI 10.1039/c5dt04433b
PG 12
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DP1UX
UT WOS:000378276000016
PM 26903261
ER
PT J
AU Kohler, L
Hayes, D
Hong, JY
Carter, TJ
Shelby, ML
Fransted, KA
Chen, LX
Mulfort, KL
AF Kohler, Lars
Hayes, Dugan
Hong, Jiyun
Carter, Tyler J.
Shelby, Megan L.
Fransted, Kelly A.
Chen, Lin X.
Mulfort, Karen L.
TI Synthesis, structure, ultrafast kinetics, and light-induced dynamics of
CuHETPHEN chromophores
SO DALTON TRANSACTIONS
LA English
DT Article
ID COPPER(I) DIIMINE COMPLEXES; SENSITIZED SOLAR-CELLS; EXCITED-STATE
PROPERTIES; KEY BUILDING-BLOCKS; HYDROGEN-PRODUCTION; CU-I; ELECTRON
INJECTION; CHARGE SEPARATION; ENERGY CONVERSION; METAL-COMPLEXES
AB Five heteroleptic Cu(I)bis(phenanthroline) chromophores with distinct variation in the steric bulk at the 2,9-phenanthroline position were synthesized using the HETPHEN method, and their ground and excited state properties are described. Analysis of the crystal structures reveals a significant distortion from tetrahedral geometry around the Cu(I) centre which is attributed to favourable aromatic interactions between the two phenanthroline ligands. Ultrafast and nanosecond transient optical spectroscopies reveal that the excited state lifetime can be tuned across two orders of magnitude up to 74 nanoseconds in acetonitrile by changing the 2,9-substituent from hydrogen to sec-butyl. X-ray transient absorption spectroscopy at the Cu K-edge confirmed Cu(I) oxidation to Cu(II) and revealed a decrease of the Cu-N bond lengths in the excited state. The ground and excited state characterization presented here will guide the integration of CuHETPHEN chromophores into complex electron donor-acceptor architectures.
C1 [Kohler, Lars; Hayes, Dugan; Carter, Tyler J.; Fransted, Kelly A.; Chen, Lin X.; Mulfort, Karen L.] Argonne Natl Lab, Div Chem Sci & Engn, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Hong, Jiyun; Shelby, Megan L.; Chen, Lin X.] Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.
RP Mulfort, KL (reprint author), Argonne Natl Lab, Div Chem Sci & Engn, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM mulfort@anl.gov
FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of
Basic Energy Sciences of the U.S. Department of Energy
[DE-AC02-06CH11357]; U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences [DE-AC02-06CH11357]; DOE Office of
Science by Argonne National Laboratory [DE-AC02-06CH11357]; ANL Joseph
Katz Fellowship
FX This work is supported by the Division of Chemical Sciences,
Geosciences, and Biosciences, Office of Basic Energy Sciences of the
U.S. Department of Energy through Grant DE-AC02-06CH11357. Use of the
Center for Nanoscale Materials, an Office of Science user facility, was
supported by the U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. We thank Dr
David J. Gosztola for his assistance at the transient absorption
facility at CNM. Use of the Advanced Photon Source, a U.S. Department of
Energy (DOE) Office of Science User Facility, was supported by the DOE
Office of Science by Argonne National Laboratory under Contract No.
DE-AC02-06CH11357. We thank Dr Xiaoyi Zhang for her assistance during
the XTA experiment. DH acknowledges support from the ANL Joseph Katz
Fellowship.
NR 71
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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 2016
VL 45
IS 24
BP 9871
EP 9883
DI 10.1039/c6dt00324a
PG 13
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DP1UX
UT WOS:000378276000019
PM 26924711
ER
PT J
AU Sturzbecher-Hoehne, M
Yang, P
D'Aleo, A
Abergel, RJ
AF Sturzbecher-Hoehne, M.
Yang, P.
D'Aleo, A.
Abergel, R. J.
TI Intramolecular sensitization of americium luminescence in solution:
shining light on short-lived forbidden 5f transitions
SO DALTON TRANSACTIONS
LA English
DT Article
ID LANTHANIDE COMPLEXES; HYDRATION NUMBER; ACTINIDES; CURIUM;
PHOTOLUMINESCENCE; DECORPORATION; SPECTROSCOPY; SEPARATIONS; EQUILIBRIA;
SPECIATION
AB The photophysical properties and solution thermodynamics of water soluble trivalent americium (Am-III) complexes formed with multidentate chromophore-bearing ligands, 3,4,3-LI(1,2-HOPO), Enterobactin, and 5-LIO(Me-3,2-HOPO), were investigated. The three chelators were shown to act as antenna chromophores for Am-III, generating sensitized luminescence emission from the metal upon complexation, with very short lifetimes ranging from 33 to 42 ns and low luminescence quantum yields (10(-3) to 10(-2)%), characteristic of Near Infra-Red emitters in similar systems. The specific emission peak of Am-III assigned to the D-5(1) -> F-7(1) f-f transition was exploited to characterize the high proton-independent stability of the complex formed with the most efficient sensitizer 3,4,3-LI(1,2-HOPO), with a log beta(110) = 20.4 +/- 0.2 value. In addition, the optical and solution thermodynamic features of these AmIII complexes, combined with density functional theory calculations, were used to probe the influence of electronic structure on coordination properties across the f-element series and to gain insight into ligand field effects.
C1 [Sturzbecher-Hoehne, M.; Abergel, R. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Yang, P.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[D'Aleo, A.] Aix Marseille Univ, CNRS, CINaM, UMR 7325, F-13288 Marseille, France.
RP Yang, P (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM pyang@lanl.gov; daleo@cinam.univ-mrs.fr; rjabergel@lbl.gov
OI Yang, Ping/0000-0003-4726-2860
FU U.S. Department of Energy, Office of Science Early Career Research
Program; Office of Science, Office of Basic Energy Sciences, Chemical
Sciences, Geosciences, and Biosciences Division at the Lawrence Berkeley
National Laboratory [DE-AC02-05CH11231]; U.S. Department of Energy,
Office of Science; U.S. Department of Energy, Office of Science, Basic
Energy Sciences, Chemical Sciences, Biosciences, and Geosciences
Division (CSGB), Heavy Element Chemistry Program at Los Alamos National
Laboratory [DE-AC52-06NA25396]; Office of Biological and Environmental
Research; Pacific Northwest National Laboratory
FX Enterobactin was a generous gift from Prof. Kenneth N. Raymond
(University of California, Berkeley). This material is based upon work
supported by the U.S. Department of Energy, Office of Science Early
Career Research Program and Office of Science, Office of Basic Energy
Sciences, Chemical Sciences, Geosciences, and Biosciences Division at
the Lawrence Berkeley National Laboratory under Contract
DE-AC02-05CH11231 (RJA). RJA is the recipient of a U.S. Department of
Energy, Office of Science Early Career Award. Computational work was
supported by the U.S. Department of Energy, Office of Science, Basic
Energy Sciences, Chemical Sciences, Biosciences, and Geosciences
Division (CSGB), Heavy Element Chemistry Program at Los Alamos National
Laboratory under contract no. DE-AC52-06NA25396 (operated by Los Alamos
National Security, LLC, for the National Nuclear Security Administration
of the U.S. Department of Energy) (PY). The DFT calculations were
performed using the Molecular Science Computing Facilities in the
William R. Wiley Environmental Molecular Sciences Laboratory, a U.S.
Department of Energy Office of Science User Facility sponsored by the
Office of Biological and Environmental Research and located at Pacific
Northwest National Laboratory.
NR 55
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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 2016
VL 45
IS 24
BP 9912
EP 9919
DI 10.1039/c6dt00328a
PG 8
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DP1UX
UT WOS:000378276000023
PM 26961598
ER
PT J
AU Alayoglu, S
Rosenberg, DJ
Ahmed, M
AF Alayoglu, Selim
Rosenberg, Daniel J.
Ahmed, Musahid
TI Hydrothermal synthesis and characterization under dynamic conditions of
cobalt oxide nanoparticles supported over magnesium oxide nano-plates
SO DALTON TRANSACTIONS
LA English
DT Article
ID FISCHER-TROPSCH SYNTHESIS; CO2 HYDROGENATION; CATALYSTS; SIZE; MGO;
SPECTROSCOPY; ADSORPTION; OXIDATION; PRESSURE; SURFACE
AB A nano-catalyst comprised of oxidized Co NPs supported on MgO nano-plates was synthesized via a hydrothermal co-precipitation strategy and calcination in O-2 and subsequently in H-2 at 250 degrees C. Spectromicroscopy characterization was performed by scanning transmission electron microscopy, electron energy loss spectroscopy and scanning X-ray transmission microscopy. Surface measurements under H-2 and H-2 + CO atmospheres were obtained by ambient pressure X-ray photoelectron spectroscopy and in situ X-ray absorption spectroscopy in the 225-480 degrees C range. These measurements at the atomic and microscopic levels demonstrated that the oxidized Co nanoparticles uniformly decorated the MgO nanoplates. The surfaces are enriched with Co, and with a mixture of Co(OH)(2) and CoO under H-2 and H-2 + CO atmospheres. Under a H-2 atmosphere, the outermost surfaces were composed of (lattice) O2-, CO32- and OH-. No inorganic carbonates were observed in the bulk. Chemisorbed CO, likely on the oxidized Co surfaces, was observed at the expense of O2- under 300 mTorr H-2 + CO (2 : 1) at 225 degrees C. Gas phase CO2 was detected under 32 Torr H-2 + CO (2 : 1) at 225 degrees C upon prolonged reaction time, and was attributed to a surface chemical reaction between O2- and chemisorbed CO. Furthermore, sp(3) like carbon species were detected on the otherwise carbon free surface in H-2 + CO, which remained on the surface under the subsequent reaction conditions. The formation of sp(3) like hydrocarbons was ascribed to a surface catalytic reaction between the chemisorbed CO and OH- as the apparent hydrogen source.
C1 [Alayoglu, Selim; Rosenberg, Daniel J.; Ahmed, Musahid] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Alayoglu, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
EM salayoglu@lbl.gov
RI Ahmed, Musahid/A-8733-2009
FU Office of Science, Office of Basic Energy Sciences of the US Department
of Energy [DE-AC02-05CH11231]
FX This work was supported by the Director, Office of Science, Office of
Basic Energy Sciences, of the US Department of Energy under contract
DE-AC02-05CH11231. TEM and STEM/EELS measurements were performed at the
imaging and manipulation facility in the Molecular Foundry. STXM, APXPS
and XAS experiments were carried out in the Advanced Light Source. SA
thanks Mr Walter Ralston, Dr Gerome Melaet and Dr Ethan Crumlin for
their help during the APXPS data acquisition.
NR 32
TC 0
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U1 4
U2 6
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 2016
VL 45
IS 24
BP 9932
EP 9941
DI 10.1039/c6dt00204h
PG 10
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DP1UX
UT WOS:000378276000026
PM 26979489
ER
PT J
AU Altman, AB
Pacold, JI
Wang, J
Lukens, WW
Minasian, SG
AF Altman, Alison B.
Pacold, Joseph I.
Wang, Jian
Lukens, Wayne W.
Minasian, Stefan G.
TI Evidence for 5d-sigma and 5d-pi covalency in lanthanide sesquioxides
from oxygen K-edge X-ray absorption spectroscopy
SO DALTON TRANSACTIONS
LA English
DT Article
ID RARE-EARTH-OXIDES; DENSITY-FUNCTIONAL THEORY; SINGLE-MOLECULE MAGNETS;
ENERGY-LOSS SPECTROSCOPY; ELECTRONIC-STRUCTURE THEORY;
CRYSTAL-STRUCTURE; OXIDATION-STATE; GROUND-STATE; AB-INITIO; ACTINIDE
COMPLEXES
AB The electronic structure in the complete series of stable lanthanide sesquioxides, Ln(2)O(3) (Ln = La to Lu, except radioactive Pm), has been evaluated using oxygen K-edge X-ray absorption spectroscopy (XAS) with a scanning transmission X-ray microscope (STXM). The experimental results agree with recent synthetic, spectroscopic and theoretical investigations that provided evidence for 5d orbital involvement in lanthanide bonding, while confirming the traditional viewpoint that there is little Ln 4f and O 2p orbital mixing. However, the results also showed that changes in the energy and occupancy of the 4f orbitals can impact Ln 5d and O 2p mixing, leading to several different bonding modes for seemingly identical Ln(2)O(3) structures. On moving from left to right in the periodic table, abrupt changes were observed for the energy and intensity of transitions associated with Ln 5d and O 2p antibonding states. These changes in peak intensity, which were directly related to the amounts of O 2p and Ln 5d mixing, were closely correlated to the well-established trends in the chemical accessibility of the 4f orbitals towards oxidation or reduction. The unique insight provided by the O K-edge XAS is discussed in the context of several recent theoretical and physical studies on trivalent lanthanide compounds.
C1 [Altman, Alison B.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Altman, Alison B.; Pacold, Joseph I.; Lukens, Wayne W.; Minasian, Stefan G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Wang, Jian] Canadian Light Source, Saskatoon, SK S7N 2V3, Canada.
RP Minasian, SG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
EM sgminasian@lbl.gov
OI Pacold, Joseph/0000-0002-4697-5896
FU Department of Energy (DOE) Integrated University Program Fellowship at
the University of California, Berkeley; Office of Science, Office of
Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and
Biosciences Heavy Element Chemistry Program of the U.S. DOE at LBNL
[DE-AC02-05CH11231]; Canada Foundation for Innovation; Natural Sciences
and Engineering Research Council of Canada; University of Saskatchewan;
Government of Saskatchewan; Western Economic Diversification Canada;
National Research Council of Canada; Canadian Institutes of Health
Research; Office of Science, Office of Basic Energy Sciences of the U.S.
Department of Energy [DE-AC02-05CH11231]
FX ABA acknowledges support by a Department of Energy (DOE) Integrated
University Program Fellowship at the University of California, Berkeley.
JIP, WWL, and SGM were supported by the Director, Office of Science,
Office of Basic Energy Sciences, Division of Chemical Sciences,
Geosciences, and Biosciences Heavy Element Chemistry Program of the U.S.
DOE at LBNL under contract no. DE-AC02-05CH11231. Research described in
this paper was performed at the Canadian Light Source, which is
supported by the Canada Foundation for Innovation, Natural Sciences and
Engineering Research Council of Canada, the University of Saskatchewan,
the Government of Saskatchewan, Western Economic Diversification Canada,
the National Research Council of Canada, and the Canadian Institutes of
Health Research. We thank Selim Alayoglu, A. L. David Kilcoyne, and
Young-Sang Yu for assistance with measurements on Beamline 5.3.2.1 of
the ALS. The ALS is supported by the Director, Office of Science, Office
of Basic Energy Sciences, of the U.S. Department of Energy under
contract no. DE-AC02-05CH11231.
NR 174
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U1 11
U2 20
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 2016
VL 45
IS 24
BP 9948
EP 9961
DI 10.1039/c6dt00358c
PG 14
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DP1UX
UT WOS:000378276000028
PM 26979662
ER
PT J
AU Zarkesh, RA
Ichimura, AS
Monson, TC
Tomson, NC
Anstey, MR
AF Zarkesh, Ryan A.
Ichimura, Andrew S.
Monson, Todd C.
Tomson, Neil C.
Anstey, Mitchell R.
TI Voltage clustering in redox-active ligand complexes: mitigating
electronic communication through choice of metal ion
SO DALTON TRANSACTIONS
LA English
DT Article
ID FLOW BATTERIES; COORDINATION CHEMISTRY; CHROMIUM COMPLEXES;
CRYSTAL-STRUCTURES; TRANSFER SERIES; ISOMERS; PERSPECTIVE
AB The redox-active bis(imino)acenapthene (BIAN) ligand was used to synthesize homoleptic aluminum, chromium, and gallium complexes of the general formula (BIAN)(3)M. The resulting compounds were characterized using X-ray crystallography, NMR, EPR, magnetic susceptibility and cyclic voltammetry measurements and modeled using both DFT and ab initio wavefunction calculations to compare the orbital contributions of main group elements and transition metals in ligand-based redox events. Complexes of this type have the potential to improve the energy density and electrolyte stability of grid-scale energy storage technologies, such as redox flow batteries, through thermodynamically-clustered redox events.
C1 [Zarkesh, Ryan A.; Anstey, Mitchell R.] Sandia Natl Labs, POB 969,MS 9292, Livermore, CA 94551 USA.
[Ichimura, Andrew S.] San Francisco State Univ, Dept Chem & Biochem, 1600 Holloway Ave, San Francisco, CA 94132 USA.
[Monson, Todd C.] Sandia Natl Labs, POB 5800,MS 1415, Albuquerque, NM 87185 USA.
[Tomson, Neil C.] Univ Penn, Dept Chem, 231 S 34th St, Philadelphia, PA 19104 USA.
[Anstey, Mitchell R.] Davidson Coll, Dept Chem, 209 Ridge Rd, Davidson, NC 28035 USA.
RP Tomson, NC (reprint author), Univ Penn, Dept Chem, 231 S 34th St, Philadelphia, PA 19104 USA.
EM tomson@sas.upenn.edu; mianstey@davidson.edu
RI Tomson, Neil/R-6686-2016;
OI Tomson, Neil/0000-0001-9131-1039; Monson, Todd/0000-0002-9782-7084
FU U.S. Department of Energy, Office of Electricity Delivery and Energy
Reliability (Energy Storage Program); University of Pennsylvania; U.S.
Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000, SAND20160959 J]
FX The authors would like to thank Dr Imre Gyuk and the U.S. Department of
Energy, Office of Electricity Delivery and Energy Reliability (Energy
Storage Program) and the University of Pennsylvania for financial
support. The authors are grateful for Mr Dustin Murtagh's assistance
with HRMS data acquisition and Mr Charles J. Pearce's magnetic
susceptibility data acquisition. Sandia National Laboratories is a
multi-program laboratory operated by Sandia Corporation, a wholly owned
subsidiary of Lockheed Martin Company, for the U.S. Department of
Energy's National Nuclear Security Administration under contract
DE-AC04-94AL85000, SAND20160959 J.
NR 29
TC 2
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U1 11
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 2016
VL 45
IS 24
BP 9962
EP 9969
DI 10.1039/c6dt00422a
PG 8
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DP1UX
UT WOS:000378276000029
PM 26998892
ER
PT J
AU Winseck, MM
Cheng, HY
Campbell, GH
Santala, MK
AF Winseck, M. M.
Cheng, H. -Y.
Campbell, G. H.
Santala, M. K.
TI Crystallization kinetics of the phase change material GeSb6Te measured
with dynamic transmission electron microscopy
SO DALTON TRANSACTIONS
LA English
DT Article
ID PULSED-LASER IRRADIATION; TIME-RESOLVED TEM; EXPLOSIVE CRYSTALLIZATION;
AMORPHOUS-GERMANIUM; THIN-FILMS; SILICON; GROWTH; NUCLEATION; GE2SB2TE5;
GETE
AB GeSb6Te is a chalcogenide-based phase change material that has shown great ptoential for use in solid-state memory devices. The crystallization kinetics of amorphous thin films of GeSb6Te during laser crystallization were followed with dynamic transmission electron microscopy, a photo-emission electron microscopy technique with nanosecond-scale time resolution. Nine-frame movies of crystal growth were taken during laser crystallization. The nucleation rate is observed to be very low and the growth rates are very high, up to 10.8 m s(-1) for amorphous as-deposited films and significantly higher for an amorphous film subject to sub-threshold laser annealing before crystallization. The measured growth rates exceed any directly measured growth rate of a phase change material. The crystallization is reminiscent of explosive crystallization of elemental semiconductors both in the magnitude of the growth rate and in the resulting crystalline microstructures.
C1 [Winseck, M. M.; Santala, M. K.] Oregon State Univ, Dept Mech Ind & Mfg Engn, Corvallis, OR 97330 USA.
[Cheng, H. -Y.] Macronix Int Co Ltd, Macronix Emerging Cent Lab, IBM Macronix PCRAM Joint Project, 16 Li Hsin Rd,Sci Pk, Hsinchu, Taiwan.
[Campbell, G. H.] Lawrence Livermore Natl Lab, Div Mat Sci, Livermore, CA 94550 USA.
RP Santala, MK (reprint author), Oregon State Univ, Dept Mech Ind & Mfg Engn, Corvallis, OR 97330 USA.
EM melissa.santala@oregonstate.edu
FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES),
Division of Materials Sciences and Engineering by LLNL [FWP SCW0974,
DE-AC52-07NA27344]; Office of Science, Office of BES of the U.S. DOE
[DE-AC02-05CH11231]
FX Time resolved TEM experiments were performed using the DTEM at LLNL.
This work was performed under the auspices of the U.S. Department of
Energy (DOE), Office of Basic Energy Sciences (BES), Division of
Materials Sciences and Engineering for FWP SCW0974 by LLNL under
Contract DE-AC52-07NA27344.; EDS was performed at the National Center
for Electron Microscopy, part of the Molecular Foundry at Lawrence
Berkeley National Laboratory. Work performed at the Molecular Foundry is
supported by the Office of Science, Office of BES, of the U.S. DOE under
Contract no. DE-AC02-05CH11231.
NR 41
TC 0
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U1 11
U2 17
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 2016
VL 45
IS 24
BP 9988
EP 9995
DI 10.1039/c6dt00298f
PG 8
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DP1UX
UT WOS:000378276000032
PM 27026479
ER
PT J
AU Robinson, SJC
Zall, CM
Miller, DL
Linehan, JC
Appel, AM
AF Robinson, Samantha J. Connelly
Zall, Christopher M.
Miller, Deanna L.
Linehan, John C.
Appel, Aaron M.
TI Solvent influence on the thermodynamics for hydride transfer from
bis(diphosphine) complexes of nickel
SO DALTON TRANSACTIONS
LA English
DT Article
ID TRANSITION-METAL HYDRIDES; CARBON-DIOXIDE; CO2 REDUCTION; HOMOGENEOUS
HYDROGENATION; ELECTROCATALYTIC OXIDATION; MOLECULAR ELECTROCATALYSTS;
CATALYST; ACETONITRILE; HYDRICITY; METHANOL
AB The thermodynamic hydricity of a metal hydride can vary considerably between solvents. This parameter can be used to determine the favourability of a hydride-transfer reaction, such as the reaction between a metal hydride and CO2 to produce formate. Because the hydricities of these species do not vary consistently between solvents, reactions that are thermodynamically unfavourable in one solvent can be favourable in others. The hydricity of a water-soluble, bis-phosphine nickel hydride complex was compared to the hydricity of formate in water and in acetonitrile. Formate is a better hydride donor than [HNi(dmpe)(2)](+) by 7 kcal mol(-1) in acetonitrile, and no hydride transfer from [HNi(dmpe)(2)](+) to CO2 occurs in this solvent. The hydricity of [HNi(dmpe)(2)](+) is greatly improved in water relative to acetonitrile, in that reduction of CO2 to formate by [HNi(dmpe)(2)](+) was found to be thermodynamically downhill by 8 kcal mol(-1). Catalysis for the hydrogenation of CO2 was pursued, but the regeneration of [HNi(dmpe)(2)] under catalytic conditions was unfavourable. However, the present results demonstrate that the solvent dependence of thermodynamic parameters such as hydricity and acidity can be exploited in order to produce systems with balanced or favourable overall thermodynamics. This approach should be advantageous for the design of future water-soluble catalysts.
C1 [Robinson, Samantha J. Connelly; Zall, Christopher M.; Miller, Deanna L.; Linehan, John C.; Appel, Aaron M.] Pacific NW Natl Lab, POB 999,MS K2-57, Richland, WA 99352 USA.
[Robinson, Samantha J. Connelly] Seattle Pacific Univ, Eaton Hall, Seattle, WA 98119 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 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 This material is based upon work supported by the U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National
Laboratory is operated by Battelle for the U.S. Department of Energy.
NR 47
TC 3
Z9 3
U1 8
U2 11
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 2016
VL 45
IS 24
BP 10017
EP 10023
DI 10.1039/c6dt00309e
PG 7
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DP1UX
UT WOS:000378276000035
ER
PT J
AU Wanigasekara, E
Freiderich, JW
Sun, XG
Meisner, RA
Luo, HM
Delmau, LH
Dai, S
Moyer, BA
AF Wanigasekara, Eranda
Freiderich, John W.
Sun, Xiao-Guang
Meisner, Roberta A.
Luo, Huimin
Delmau, Laetitia H.
Dai, Sheng
Moyer, Bruce A.
TI Tandem dissolution of UO3 in amide-based acidic ionic liquid and in situ
electrodeposition of UO2 with regeneration of the ionic liquid: a closed
cycle
SO DALTON TRANSACTIONS
LA English
DT Article
ID ELECTROCHEMICAL-BEHAVIOR; CHLORIDE; OXIDES; URANYL; WATER; EXTRACTION;
SOLVENTS; URANIUM; SYSTEM; U(VI)
AB A closed cycle is demonstrated for the tandem dissolution and electroreduction of UO3 to UO2 with regeneration of the acidic ionic liquid. The dissolution is achieved by use of the acidic ionic liquid [DMAH][NTf2] in [EMIM][NTf2] serving as the diluent. A sequential dissolution, electroreduction, and regeneration cycle is presented.
C1 [Wanigasekara, Eranda; Freiderich, John W.; Sun, Xiao-Guang; Delmau, Laetitia H.; Dai, Sheng; Moyer, Bruce A.] Oak Ridge Natl Lab, Div Chem Sci, POB 2008, Oak Ridge, TN 37831 USA.
[Meisner, Roberta A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, POB 2008, Oak Ridge, TN 37831 USA.
[Luo, Huimin] Oak Ridge Natl Lab, Energy & Transportat Sci Div, POB 2008, Oak Ridge, TN 37831 USA.
RP Moyer, BA (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008, Oak Ridge, TN 37831 USA.
EM moyerba@ornl.gov
RI Moyer, Bruce/L-2744-2016; Dai, Sheng/K-8411-2015
OI Moyer, Bruce/0000-0001-7484-6277; Dai, Sheng/0000-0002-8046-3931
NR 30
TC 0
Z9 0
U1 7
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 2016
VL 45
IS 25
BP 10151
EP 10154
DI 10.1039/c6dt00873a
PG 4
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DP3KM
UT WOS:000378392200010
PM 27255672
ER
PT J
AU Perlepe, PS
Cunha-Silva, L
Bekiari, V
Gagnon, KJ
Teat, SJ
Escuer, A
Stamatatos, TC
AF Perlepe, Panagiota S.
Cunha-Silva, Luis
Bekiari, Vlasoula
Gagnon, Kevin J.
Teat, Simon J.
Escuer, Albert
Stamatatos, Theocharis C.
TI Structural diversity in Ni-II cluster chemistry: Ni-5, Ni-6, and
{NiNa2}(n) complexes bearing the Schiff-base ligand
N-naphthalidene-2-amino-5-chlorobenzoic acid
SO DALTON TRANSACTIONS
LA English
DT Article
ID SINGLE-MOLECULE MAGNETS; POLYNUCLEAR NICKEL(II) COMPLEXES;
OXIDATION-STATE MANGANESE; OXYGEN-EVOLVING COMPLEX; HIGH-SPIN MOLECULES;
CRYSTAL-STRUCTURES; COPPER(II) COMPOUNDS; SYNTHETIC MODEL;
PHOTOSYSTEM-II; OXIME LIGANDS
AB The employment of the fluorescent bridging and chelating ligand N-naphthalidene-2-amino-5-chlorobenzoic acid (nacbH(2)) in Ni-II cluster chemistry has led to a series of pentanuclear and hexanuclear compounds with different structural motifs, magnetic and optical properties, as well as an interesting 1-D coordination polymer. Synthetic parameters such as the inorganic anion present in the NiX2 starting materials (X = ClO4- or Cl-), the reaction solvent and the nature of the organic base employed for the deprotonation of nacbH(2) were proved to be structure-directing components. Undoubtedly, the reported results demonstrate the rich coordination chemistry of nacbH(2) in the presence of NiII metal ions and the ability of this chelate to adopt a variety of different modes, thus fostering the formation of high-nuclearity molecules with many physical properties.
C1 [Perlepe, Panagiota S.; Stamatatos, Theocharis C.] Brock Univ, Dept Chem, St Catharines, ON L2S 3A1, Canada.
[Cunha-Silva, Luis] Univ Porto, Fac Sci, REQUIMTE LAQV, P-4169007 Oporto, Portugal.
[Cunha-Silva, Luis] Univ Porto, Fac Sci, Dept Chem & Biochem, P-4169007 Oporto, Portugal.
[Bekiari, Vlasoula] Technol Educ Inst Western Greece, Dept Aquaculture & Fisheries Management, Mesolongion 30200, Greece.
[Gagnon, Kevin J.; Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Escuer, Albert] Univ Barcelona, Dept Quim Inorgan, Diagonal 645, Barcelona 08028, Spain.
[Escuer, Albert] Univ Barcelona, Inst Nanociencia & Nanotecnol IN2UB, Diagonal 645, Barcelona 08028, 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-DG; ERA; Alexander S. Onassis Public Benefit
Foundation; Fundacao para a Ciencia e a Tecnologia (FCT, Portugal)
[UID/QUI/50006/2013]; DGICT [CTQ2015-63614-P]; European Union (European
Social Fund - ESF); Greek national funds through the Operational Program
"Education and Lifelong Learning" of the National Strategic Reference
Framework (NSRF) - Research Funding Program: Archimedes III; 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, NSERC-DG and ERA (to Th. C.
S), the Alexander S. Onassis Public Benefit Foundation (graduate
scholarship to P. S. P), the Fundacao para a Ciencia e a Tecnologia
(FCT, Portugal) for financial support to REQUIMTE/LAQV
(UID/QUI/50006/2013), and the DGICT (Project CTQ2015-63614-P, to A. E).
V. B. acknowledges financial support by the European Union (European
Social Fund - ESF) and Greek national funds through the Operational
Program "Education and Lifelong Learning" of the National Strategic
Reference Framework (NSRF) - Research Funding Program: Archimedes III.
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 111
TC 1
Z9 1
U1 4
U2 6
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 2016
VL 45
IS 25
BP 10256
EP 10270
DI 10.1039/c6dt01162d
PG 15
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DP3KM
UT WOS:000378392200021
PM 27240998
ER
PT J
AU Uribe, EC
Mason, HE
Shusterman, JA
Bruchet, A
Nitsche, H
AF Uribe, Eva C.
Mason, Harris E.
Shusterman, Jennifer A.
Bruchet, Anthony
Nitsche, Heino
TI Probing the interaction of U(VI) with phosphonate-functionalized
mesoporous silica using solid-state NMR spectroscopy
SO DALTON TRANSACTIONS
LA English
DT Article
ID SELF-ASSEMBLED MONOLAYERS; DOUBLE-RESONANCE; AQUEOUS-SOLUTION;
DRUG-DELIVERY; ACID GROUPS; CROSS-POLARIZATION; HIGHLY EFFICIENT;
WATER-INTERFACE; LOCAL-STRUCTURE; SUPPORTS SAMMS
AB The fundamental interaction of U(VI) with diethylphosphatoethyl triethoxysilane functionalized SBA-15 mesoporous silica is studied by macroscopic batch experiments and solid-state NMR spectroscopy. DPTS-functionalized silica has been shown to extract U(VI) from nitric acid solutions at or above pH 3. Extraction is dependent on pH and ionic strength. Single-pulse P-31 NMR on U(VI) contacted samples revealed that U(VI) only interacts with a fraction of the ligands present on the surface. At pH 4 the U( VI) extraction capacity of the material is limited to 27-37% of the theoretical capacity, based on ligand loading. We combined single pulse P-31 NMR on U(VI)-contacted samples with batch studies to measure a ligand-to-metal ratio of approximately 2 : 1 at pH 3 and 4. Batch studies and cross-polarization NMR measurements reveal that U(VI) binds to deprotonated phosphonate and/or silanol sites. We use P-31-P-31 DQ-DRENAR NMR studies to compare the average dipolar coupling between phosphorus spins for both U(VI)-complexed and non-complexed ligand environments. These measurements reveal that U(VI) extraction is not limited by inadequate surface distribution of ligands, but rather by low stability of the surface phosphonate complex.
C1 [Uribe, Eva C.; Shusterman, Jennifer A.; Bruchet, Anthony; Nitsche, Heino] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Mason, Harris E.; Shusterman, Jennifer A.] Lawrence Livermore Natl Lab, Glenn T Seaborg Inst, Phys & Life Sci Directorate, L-231,POB 808, Livermore, CA 94550 USA.
RP Uribe, EC (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM eva.uribe@berkeley.edu
OI Uribe, Eva/0000-0001-7755-2653
FU National Nuclear Security Administration (NNSA) [DE-NA0001978]; U.S.
Department of Energy by Lawrence Livermore Laboratory
[DE-AC52-07NA27344]; DOE NNSA Stewardship Science Graduate Fellowship
[DE-NA0002135]; National Science Foundation [DGE 1106400]; U.S.
Department of Energy [DE-AC02-05-CH11231]
FX The authors would like to thank Professor Long and Doug Reed of the
University of California, Berkeley for the nitrogen adsorption
measurements. The authors would like to acknowledge the contributions of
Annie B. Kersting and the Glenn T. Seaborg Institute at Lawrence
Livermore National Laboratory, as well as Stanley G. Prussin and Wayne
W. Lukens for many helpful discussions. This work was supported by the
National Nuclear Security Administration (NNSA) under the Stewardship
Science Academic Alliance Program, award number DE-NA0001978. This work
was performed under the auspices of the U.S. Department of Energy by
Lawrence Livermore Laboratory under Contract DE-AC52-07NA27344. J. A. S.
was supported by a DOE NNSA Stewardship Science Graduate Fellowship
under Contract No. DE-NA0002135. E. C. U. is supported by a National
Science Foundation Graduate Research Fellowship under Grant No. DGE
1106400. Portions of this work were performed at Lawrence Berkeley
National Laboratory of the U.S. Department of Energy under Contract No.
DE-AC02-05-CH11231.
NR 72
TC 0
Z9 0
U1 6
U2 9
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 2016
VL 45
IS 25
BP 10447
EP 10458
DI 10.1039/c6dt01200k
PG 12
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DP3KM
UT WOS:000378392200038
PM 27265020
ER
PT J
AU Yang, Y
Vance, M
Tou, FY
Tiwari, A
Liu, M
Hochella, MF
AF Yang, Yi
Vance, Marina
Tou, Feiyun
Tiwari, Andrea
Liu, Min
Hochella, Michael F., Jr.
TI Nanoparticles in road dust from impervious urban surfaces: distribution,
identification, and environmental implications
SO ENVIRONMENTAL SCIENCE-NANO
LA English
DT Article
ID PARTICULATE MATTER; AMORPHOUS SILICA; HYDROXYAPATITE NANOPARTICLES;
INTRATRACHEAL INSTILLATION; TEMPORAL VARIATIONS; POLLUTION SOURCES;
SOURCE PROFILES; HEAVY-METALS; TREE LEAVES; PARTICLES
AB Nanoparticles (NPs) resulting from urban road dust resuspension are an understudied class of pollutants in urban environments with strong potential for health hazards. The objective of this study was to investigate the heavy metal and nanoparticle content of PM2.5 generated in the laboratory using novel aerosolization of 66 road dust samples collected throughout the mega-city of Shanghai (China). The samples were characterized using an array of techniques including inductively-coupled plasma mass spectrometry, aerosol size distribution measurements, and scanning and transmission electron microscopy coupled with elemental characterization and electron diffraction. Principal metal concentrations were plotted geospatially. Results show that metals were generally enriched in aerosolized samples relative to the bulk dust. Elevated concentrations of metals were found mostly in downtown areas with intense traffic. Fe-, Pb-, Zn-, and Ba-containing NPs were identified using electron microscopy, spectroscopy, and diffraction, and we tentatively identify most of them as either engineered, incidental, or naturally occurring NPs. For example, dangerous Pb sulfide and sulfate NPs likely have an incidental origin and are also sometimes associated with Sn; we believe that these materials originated from an e-waste plant. Size distributions of most aerosolized samples presented a peak in the ultrafine range (< 100 nm). We estimate that 3.2 +/- 0.7 mu g mg(-1) of Shanghai road dust may become resuspended in the form of PM2.5. Aerosolization, as done in this study, seems to be a very useful approach to study NPs in dust.
C1 [Yang, Yi; Tou, Feiyun; Liu, Min] E China Normal Univ, Shanghai Key Lab Urban Ecol Proc & Ecorestorat, Key Lab Geog Informat Sci, Minist Educ, 3663 North Zhongshan Rd, Shanghai 200062, Peoples R China.
[Vance, Marina; Tiwari, Andrea] Virginia Tech, Inst Crit Technol & Appl Sci, Virginia Tech Ctr Sustainable Nanotechnol, Blacksburg, VA 24061 USA.
[Yang, Yi; Hochella, Michael F., Jr.] Virginia Tech, Ctr NanoBioEarth, Dept Geosci, Blacksburg, VA 24061 USA.
[Hochella, Michael F., Jr.] Pacific NW Natl Lab, Energy & Environm Directorate, Geosci Grp, Richland, WA 99352 USA.
RP Hochella, MF (reprint author), Virginia Tech, Ctr NanoBioEarth, Dept Geosci, Blacksburg, VA 24061 USA.; Hochella, MF (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Geosci Grp, Richland, WA 99352 USA.
EM hochella@vt.edu
RI Vance, Marina/B-8711-2014
OI Vance, Marina/0000-0003-0940-0353
FU National Natural Science Foundation of China [41130525, 41522111,
41271473]; Center for the Environmental Implications of Nanotechnology
(NSF) [EF-0830093]; Virginia Tech Institute for Critical Technology and
Applied Science (ICTAS); Virginia Tech Center for Sustainable
Nanotechnology (VTSuN); Fundamental Research Funds for the Central
Universities; Open Foundation of East China Normal University
FX This study was funded by the National Natural Science Foundation of
China (grants 41130525, 41522111 and 41271473). Additional funding for
this work was provided by the Center for the Environmental Implications
of Nanotechnology (NSF Cooperative Agreement EF-0830093), the Virginia
Tech Institute for Critical Technology and Applied Science (ICTAS), the
Virginia Tech Center for Sustainable Nanotechnology (VTSuN) and the
Fundamental Research Funds for the Central Universities, the Open
Foundation of East China Normal University. The authors thank Jeffrey L
Parks (VT) for the ICP-MS analysis; Stephen McCartney and Christopher
Winkler (VT) for assistance with electron microscopy; Xin Zheng and
Yingpeng Yu (ECNU) for sampling assistance; and the Laboratory for
Interdisciplinary Statistical Analysis (LISA) at Virginia Tech for their
statistical advice.
NR 62
TC 0
Z9 0
U1 13
U2 20
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2051-8153
EI 2051-8161
J9 ENVIRON SCI-NANO
JI Environ.-Sci. Nano
PY 2016
VL 3
IS 3
BP 534
EP 544
DI 10.1039/c6en00056h
PG 11
WC Chemistry, Multidisciplinary; Environmental Sciences; Nanoscience &
Nanotechnology
SC Chemistry; Environmental Sciences & Ecology; Science & Technology -
Other Topics
GA DP1IZ
UT WOS:000378245000004
ER
PT J
AU Neil, CW
Ray, JR
Lee, B
Jun, YS
AF Neil, Chelsea W.
Ray, Jessica R.
Lee, Byeongdu
Jun, Young-Shin
TI Fractal aggregation and disaggregation of newly formed iron(III)
(hydr)oxide nanoparticles in the presence of natural organic matter and
arsenic
SO ENVIRONMENTAL SCIENCE-NANO
LA English
DT Article
ID IRON-OXIDE NANOPARTICLES; MANAGED AQUIFER RECHARGE; HUMIC-ACID;
ADSORPTION; SORPTION; WATER; SEDIMENTS; MOBILIZATION; ENVIRONMENT;
NUCLEATION
AB Water chemistry affects the nucleation kinetics, precipitate morphology, and quantity of iron(III) (hydr)oxide nanoparticles, directly impacting the reactive surface area of geomedia and fate of associated waterborne contaminants. In this study, we utilized in situ grazing-incidence small angle X-ray scattering (GISAXS) and complementary ex situ techniques to investigate heterogeneous iron(III) (hydr)oxide nucleation on quartz in the presence of natural organic matter (NOM) and arsenate. Results indicate unique fractal aggregation behavior in the systems containing NOM and precipitating iron(III) (hydr)oxide nanoparticles. Furthermore, the coexistence of arsenic and NOM lead to the formation of two distinct particle size ranges: larger particles dominated by arsenic effects, and smaller particles dominated by NOM effects. These new findings provide important implications for understanding the nucleation, growth, and aggregation of iron(III) (hydr)oxides in aqueous systems where NOM is present, such as natural surface waters and water and wastewater treatment plants. This study also offers new insight into how NOM-associated iron(III) (hydr)oxides can interact with aqueous contaminants such as arsenate.
C1 [Neil, Chelsea W.; Ray, Jessica R.; Jun, Young-Shin] Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA.
[Lee, Byeongdu] Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Neil, Chelsea W.] US EPA, Off Res & Dev, Natl Risk Management Res Lab, Cincinnati, OH 45268 USA.
[Ray, Jessica R.] Univ Calif Berkeley, Civil & Environm Engn, Berkeley, CA 94720 USA.
RP Jun, YS (reprint author), Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA.
EM ysjun@wustl.edu
OI Lee, Byeongdu/0000-0003-2514-8805
FU National Science Foundation [EAR-1424927, CHE-1214090]; Mr. and Mrs.
Spencer T. Olin Fellowship; U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]
FX We are grateful for support received from the National Science
Foundation (EAR-1424927 and CHE-1214090). CWN acknowledges the generous
support of the Mr. and Mrs. Spencer T. Olin Fellowship. We wish to thank
the Environmental NanoChemistry Group members for valuable discussion.
Use of the Advanced Photon Source (Sector 11-BM for HRXRD and Sector 12
ID-B for GISAXS) at the Argonne National Laboratory was supported by the
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, under Contract no. DE-AC02-06CH11357.
NR 52
TC 1
Z9 1
U1 10
U2 14
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2051-8153
EI 2051-8161
J9 ENVIRON SCI-NANO
JI Environ.-Sci. Nano
PY 2016
VL 3
IS 3
BP 647
EP 656
DI 10.1039/c5en00283d
PG 10
WC Chemistry, Multidisciplinary; Environmental Sciences; Nanoscience &
Nanotechnology
SC Chemistry; Environmental Sciences & Ecology; Science & Technology -
Other Topics
GA DP1IZ
UT WOS:000378245000015
ER
PT J
AU Yang, Y
Sun, CJ
Brown, DE
Zhang, LQ
Yang, F
Zhao, HR
Wang, Y
Ma, XH
Zhang, X
Ren, Y
AF Yang, Ying
Sun, Cheng-Jun
Brown, Dennis E.
Zhang, Liqiang
Yang, Feng
Zhao, Hairui
Wang, Yue
Ma, Xiaohui
Zhang, Xin
Ren, Yang
TI A smart strategy to fabricate Ru nanoparticle inserted porous carbon
nanofibers as highly efficient levulinic acid hydrogenation catalysts
SO GREEN CHEMISTRY
LA English
DT Article
ID RAY-ABSORPTION SPECTROSCOPY; METAL-ORGANIC FRAMEWORK; LITHIUM-ION
BATTERIES; GAMMA-VALEROLACTONE; 4-NITROPHENOL REDUCTION; HETEROGENEOUS
CATALYSTS; MESOPOROUS CARBONS; BIOMASS; CONVERSION; PERFORMANCE
AB Herein, we first put forward a smart strategy to in situ fabricate Ru nanoparticle (NP) inserted porous carbon nanofibers by one-pot conversion of Ru-functionalized metal organic framework fibers. Such fiber precursors are skillfully constructed by cooperative assembly of different proportional RuCl3 and Zn(Ac)(2)center dot 2H(2)O along with trimesic acid (H3BTC) in the presence of N, N-dimethylformamide. The following high-temperature pyrolysis affords uniform and evenly dispersed Ru NPs (ca. 12-16 nm), which are firmly inserted into the hierarchically porous carbon nanofibers formed simultaneously. The resulting Ru-carbon nanofiber (Ru-CNF) catalysts prove to be active towards the liquid-phase hydrogenation of levulinic acid (LA) to gamma-valerolactone (GVL), a biomass-derived platform molecule with wide applications in the preparation of renewable chemicals and liquid transportation fuels. The optimal GVL yield of 96.0% is obtained, corresponding to a high activity of 9.56 molLA h(-1) g(Ru)(-1), 18 times that of using the commercial Ru/C catalyst. Moreover, the Ru-CNF catalyst is extremely stable, and can be cycled up to 7 times without significant loss of reactivity. Our strategy demonstrated here reveals new possibilities to make proficient metal catalysts, and provides a general way to fabricate metal-carbon nanofiber composites available for other applications.
C1 [Yang, Ying; Zhang, Liqiang; Yang, Feng; Zhao, Hairui; Wang, Yue; Ma, Xiaohui; Zhang, Xin] China Univ Petr, State Key Lab Heavy Oil Proc, Beijing 102249, Peoples R China.
[Sun, Cheng-Jun; Ren, Yang] Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Brown, Dennis E.] No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA.
RP Yang, Y (reprint author), China Univ Petr, State Key Lab Heavy Oil Proc, Beijing 102249, Peoples R China.
EM catalyticscience@163.com
RI Zhang, Liqiang/E-6539-2015
OI Zhang, Liqiang/0000-0001-7482-0739
FU National Natural Science Foundation of China [21303229, 51571211];
Beijing Natural Science Foundation [2152025]; Science Foundation of
China University of Petroleum, Beijing [2462013YJRC018]; US Department
of Energy-Basic Energy Sciences; Canadian Light Source; University of
Washington; Advanced Photon Source; U.S. DOE [DE-AC02-06CH11357]
FX The authors gratefully acknowledge financial support from the National
Natural Science Foundation of China (21303229, 51571211), the Beijing
Natural Science Foundation (2152025), the Science Foundation of China
University of Petroleum, Beijing (2462013YJRC018). Sector 20 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 the Argonne National
Laboratory, supported by the U.S. DOE under Contract No.
DE-AC02-06CH11357, is also acknowledged.
NR 58
TC 5
Z9 5
U1 30
U2 47
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 2016
VL 18
IS 12
BP 3558
EP 3566
DI 10.1039/c5gc02802g
PG 9
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA DP1SH
UT WOS:000378269200013
ER
PT J
AU Ibanez, E
Lavrenz, S
Gkritza, K
Mejia-Giraldo, DA
Krishnan, V
McCalley, JD
Somani, AK
AF Ibanez, Eduardo
Lavrenz, Steven
Gkritza, Konstantina
Mejia-Giraldo, Diego A.
Krishnan, Venkat
McCalley, James D.
Somani, Arun K.
TI Resilience and robustness in long-term planning of the national energy
and transportation system
SO INTERNATIONAL JOURNAL OF CRITICAL INFRASTRUCTURES
LA English
DT Article
DE energy; infrastructure; investment planning; optimisation; resilience;
transportation
AB The most significant energy consuming infrastructures and the greatest contributors to greenhouse gases for any developed nation today are electric and freight/passenger transportation systems. Technological alternatives for producing, transporting and converting energy for electric and transportation systems are numerous. Addressing costs, sustainability and resilience of electric and transportation needs requires long-term assessment since these capital-intensive infrastructures take years to build with lifetimes approaching a century. Yet, the advent of electrically driven transportation, including cars, trucks and trains, creates potential interdependencies between the two infrastructures that may be both problematic and beneficial. We are developing modelling capability to perform long-term electric and transportation infrastructure design at a national level, accounting for their interdependencies. The approach combines network flow modelling with a multi-objective solution method. We describe and compare it to the state of the art in energy planning models. An example is presented to illustrate important features of this new approach.
C1 [Ibanez, Eduardo] Natl Renewable Energy Lab, 16253 Denver West Pkwy, Golden, CO 80401 USA.
[Lavrenz, Steven; Gkritza, Konstantina] Purdue Univ, Sch Civil Engn, W Lafayette, IN 47907 USA.
[Mejia-Giraldo, Diego A.] Univ Antioquia, Dept Elect Engn, Medellin 050010, Colombia.
[Krishnan, Venkat; McCalley, James D.; Somani, Arun K.] Iowa State Univ, Dept Elect & Comp Engn, Ames, IA 50011 USA.
RP Ibanez, E (reprint author), Natl Renewable Energy Lab, 16253 Denver West Pkwy, Golden, CO 80401 USA.
EM eduardo.ibanez@nrel.gov; slavrenz@purdue.edu; nadia@purdue.edu;
diegomej@udea.edu.co; vkrish@iastate.edu; jdm@iastate.edu;
arun@iastate.edu
RI Somani, Arun /C-5961-2017
OI Somani, Arun /0000-0002-6248-4376
NR 31
TC 0
Z9 0
U1 5
U2 8
PU INDERSCIENCE ENTERPRISES LTD
PI GENEVA
PA WORLD TRADE CENTER BLDG, 29 ROUTE DE PRE-BOIS, CASE POSTALE 856, CH-1215
GENEVA, SWITZERLAND
SN 1475-3219
EI 1741-8038
J9 INT J CRIT INFRASTRU
JI Int. J. Crit. Infrastruct.
PY 2016
VL 12
IS 1-2
SI SI
BP 82
EP 103
DI 10.1504/IJCIS.2016.075869
PG 22
WC Engineering, Multidisciplinary
SC Engineering
GA DP1BC
UT WOS:000378224300005
ER
PT S
AU Chen, YJ
Wang, K
Gursoy, D
Soriano, C
De Carlo, F
Anastasio, MA
AF Chen, Yujia
Wang, Kun
Gursoy, Doga
Soriano, Carmen
De Carlo, Francesco
Anastasio, Mark A.
BE Kontos, D
Flohr, TG
Lo, JY
TI Joint Reconstruction of Absorption and Refractive Properties in
Propagation-Based X-ray Phase-Contrast Tomography via a Non-Linear Image
Reconstruction Algorithm
SO MEDICAL IMAGING 2016: PHYSICS OF MEDICAL IMAGING
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Medical Imaging - Physics of Medical Imaging
CY FEB 28-MAR 02, 2016
CL San Diego, CA
SP SPIE, Modus Med Devices Inc, Bruker, Poco Graphite, ImXPAD, Carestream Hlth Inc, GE Healthcare
DE Phase-contrast tomography; non-linear image reconstruction; joint
reconstruction; phase-wrapping
ID RETRIEVAL
AB Propagation-based X-ray phase-contrast tomography (XPCT) provides the opportunity to image weakly absorbing; objects and is being explored actively for a variety of important pre-clinical applications. Quantitative XPCT image reconstruction methods typically involve a phase retrieval step followed by application of an image reconstruction algorithm. Most approaches to phase retrieval require either acquiring multiple images at different object-to-detector distances or introducing simplifying assumptions, such as a single-material assumption, to linearize the imaging model. In order to overcome these limitations, a non-linear image reconstruction method has been proposed previously that jointly estimates the absorption and refractive properties of an object from XPCT projection data acquired at a single propagation distance, without the need to linearize the imaging model. However, the numerical properties of the associated non-convex optimization problem remain largely unexplored. In this study, computer simulations arc conducted to investigate the feasibility of the joint reconstruction problem in practice. We demonstrate that the joint reconstruction problem is ill-posed and sensitive to system inconsistencies. Particularly, the method can generate accurate refractive index images only if the object is thin and has no phase-wrapping in the data. However, we also observed that, for weakly absorbing objects, the refractive index images reconstructed by the joint reconstruction method are, in general, more accurate than those reconstructed using methods that simply ignore the object's absorption.
C1 [Chen, Yujia; Wang, Kun; Anastasio, Mark A.] Washington Univ, Dept Biomed Engn, St Louis, MO 63130 USA.
[Gursoy, Doga; Soriano, Carmen; De Carlo, Francesco] Argonne Natl Lab, Adv Photon Source, Lemont, IL 60439 USA.
RP Anastasio, MA (reprint author), Washington Univ, Dept Biomed Engn, St Louis, MO 63130 USA.
EM anastasio@seas.wustl.edu
NR 15
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 978-1-5106-0018-8
J9 PROC SPIE
PY 2016
VL 9783
AR 97835H
DI 10.1117/12.2217443
PG 8
WC Optics; Physics, Multidisciplinary; Radiology, Nuclear Medicine &
Medical Imaging
SC Optics; Physics; Radiology, Nuclear Medicine & Medical Imaging
GA BE9YS
UT WOS:000378352900186
ER
PT S
AU Espy, MA
Gehring, A
Belian, A
Haines, T
Hunter, J
James, M
Klasky, M
Mendez, J
Moir, D
Sedillo, R
Shurter, R
Stearns, J
Van Syoc, K
Volegov, P
AF Espy, Michelle A.
Gehring, A.
Belian, A.
Haines, T.
Hunter, J.
James, M.
Klasky, M.
Mendez, J.
Moir, D.
Sedillo, R.
Shurter, R.
Stearns, J.
Van Syoc, K.
Volegov, P.
BE Kontos, D
Flohr, TG
Lo, JY
TI A wide-acceptance Compton spectrometer for spectral characterization of
a medical x-ray source
SO MEDICAL IMAGING 2016: PHYSICS OF MEDICAL IMAGING
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Medical Imaging - Physics of Medical Imaging
CY FEB 28-MAR 02, 2016
CL San Diego, CA
SP SPIE, Modus Med Devices Inc, Bruker, Poco Graphite, ImXPAD, Carestream Hlth Inc, GE Healthcare
DE Spectral characterization; Bremsstrahlung spectra; Compton spectrometer
AB Accurate knowledge of the x-ray spectra used in medical treatment and radiography is important for dose calculations and material decomposition analysis. Indirect measurements via transmission through materials are possible. However, such spectra are challenging to measure directly due to the high photon fluxes. One method of direct measurement is via a Compton spectrometer (CS) method. In this approach, the x-rays are converted to a much lower flux of electrons via Compton scattering on a converter foil (typically beryllium or aluminum). The electrons are then momentum selected by bending in a magnetic field. With tight angular acceptance of electrons into the magnet of similar to 1 deg, there is a linear correlation between incident photon energy and electron position recorded on an image plate. Here we present measurements of Bremsstrahlung spectrum from a medical therapy machine, a Scanditronix M22 Microtron. Spectra with energy endpoints from 6 to 20 MeV are directly measured, using a CS with a wide energy range from 0.5 to 20 MeV. We discuss the sensitivity of the device and the effects of converter material and collimation on the accuracy of the reconstructed spectra. Approaches toward improving the sensitivity, including the use of coded apertures, and potential future applications to characterization of spectra are also discussed.
C1 [Espy, Michelle A.; Gehring, A.; Belian, A.; Haines, T.; Hunter, J.; James, M.; Klasky, M.; Mendez, J.; Moir, D.; Sedillo, R.; Shurter, R.; Stearns, J.; Van Syoc, K.; Volegov, P.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RP Espy, MA (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM espy@lanl.gov
NR 15
TC 1
Z9 1
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 978-1-5106-0018-8
J9 PROC SPIE
PY 2016
VL 9783
AR 97834V
DI 10.1117/12.2216269
PG 11
WC Optics; Physics, Multidisciplinary; Radiology, Nuclear Medicine &
Medical Imaging
SC Optics; Physics; Radiology, Nuclear Medicine & Medical Imaging
GA BE9YS
UT WOS:000378352900167
ER
PT S
AU Freeman, MS
Allison, J
Espinoza, C
Goett, JJ
Hogan, G
Hollander, B
Kwiatkowski, K
Lopez, J
Mariam, F
Martinez, M
Medina, J
Medina, P
Merrill, FE
Morley, D
Morris, C
Murray, M
Nedrow, P
Saunders, A
Schurman, T
Sisneros, T
Tainter, A
Trouw, F
Tupa, D
Tybo, J
Wilde, C
AF Freeman, Matthew S.
Allison, Jason
Espinoza, Camilo
Goett, John Jerome, III
Hogan, Gary
Hollander, Brian
Kwiatkowski, Kris
Lopez, Julian
Mariam, Fesseha
Martinez, Michael
Medina, Jason
Medina, Patrick
Merrill, Frank E.
Morley, Deborah
Morris, Chris
Murray, Matthew
Nedrow, Paul
Saunders, Alexander
Schurman, Tamsen
Sisneros, Thomas
Tainter, Amy
Trouw, Frans
Tupa, Dale
Tybo, Josh
Wilde, Carl
BE Kontos, D
Flohr, TG
Lo, JY
TI 800-MeV magnetic-focused flash proton radiography for high-contrast
imaging of low-density biologically-relevant targets using an
inverse-scatter collimator
SO MEDICAL IMAGING 2016: PHYSICS OF MEDICAL IMAGING
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Medical Imaging - Physics of Medical Imaging
CY FEB 28-MAR 02, 2016
CL San Diego, CA
SP SPIE, Modus Med Devices Inc, Bruker, Poco Graphite, ImXPAD, Carestream Hlth Inc, GE Healthcare
DE proton radiography; magnetic lens; inverse-scatter collimator; proton
beam therapy
ID THERAPY; METALS; BEAMS
AB Proton radiography shows great promise as a tool to guide proton beam therapy (PBT) in real time. Here, we demonstrate two ways in which the technology may progress towards that goal. Firstly, with a proton beam that is 800 MeV in energy, target tissue receives a dose of radiation with very tight lateral constraint. This could present a benefit over the traditional treatment energies of 200 MeV, where up to 1 cm of lateral tissue receives scattered radiation at the target. At 800 MeV, the beam travels completely through the object with minimal deflection, thus constraining lateral dose to a smaller area. The second novelty of this system is the utilization of magnetic quadrupole refocusing lenses that mitigate the blur caused by multiple Coulomb scattering within an object, enabling high resolution imaging of thick objects, such as the human body. This system is demonstrated on ex vivo salamander and zebrafish specimens, as well as on a realistic hand phantom. The resulting images provide contrast sufficient to visualize thin tissue, as well as fine detail within the target volumes, and the ability to measure small changes in density. Such a system, combined with PBT, would enable the delivery of a highly specific dose of radiation that is monitored and guided in real time.
C1 [Freeman, Matthew S.; Allison, Jason; Espinoza, Camilo; Goett, John Jerome, III; Hogan, Gary; Hollander, Brian; Kwiatkowski, Kris; Lopez, Julian; Mariam, Fesseha; Martinez, Michael; Medina, Jason; Medina, Patrick; Merrill, Frank E.; Morley, Deborah; Morris, Chris; Murray, Matthew; Nedrow, Paul; Saunders, Alexander; Schurman, Tamsen; Sisneros, Thomas; Tainter, Amy; Trouw, Frans; Tupa, Dale; Tybo, Josh; Wilde, Carl] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RP Freeman, MS (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
OI Hollander, Brian/0000-0003-1836-2424; Morris,
Christopher/0000-0003-2141-0255; Tupa, Dale/0000-0002-6265-5016;
Merrill, Frank/0000-0003-0603-735X
NR 13
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 978-1-5106-0018-8
J9 PROC SPIE
PY 2016
VL 9783
AR 97831X
DI 10.1117/12.2216862
PG 11
WC Optics; Physics, Multidisciplinary; Radiology, Nuclear Medicine &
Medical Imaging
SC Optics; Physics; Radiology, Nuclear Medicine & Medical Imaging
GA BE9YS
UT WOS:000378352900066
ER
PT S
AU Huang, LJ
Shin, J
Chen, T
Lin, YZ
Gao, K
Intrator, M
Hanson, K
AF Huang, Lianjie
Shin, Junseob
Chen, Ting
Lin, Youzuo
Gao, Kai
Intrator, Miranda
Hanson, Kenneth
BE Kontos, D
Flohr, TG
Lo, JY
TI Breast ultrasound tomography with two parallel transducer arrays
SO MEDICAL IMAGING 2016: PHYSICS OF MEDICAL IMAGING
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Medical Imaging - Physics of Medical Imaging
CY FEB 28-MAR 02, 2016
CL San Diego, CA
SP SPIE, Modus Med Devices Inc, Bruker, Poco Graphite, ImXPAD, Carestream Hlth Inc, GE Healthcare
DE Breast cancer; reflection; sound speed; synthetic-aperture ultrasound;
transmission; ultrasound attenuation; ultrasound imaging; ultrasound
tomography
ID DATA-ACQUISITION; APERTURE; TRANSMISSION; DIFFRACTION; MAMMOGRAPHY;
DENSITY; SYSTEM
AB Breast ultrasound tomography is an emerging imaging modality to reconstruct the sound speed, density, and ultrasound attenuation of the breast in addition to ultrasound reflection/beamforming images for breast cancer detection and characterization. We recently designed and manufactured a new synthetic-aperture breast ultrasound tomography prototype with two parallel transducer arrays consisting of a total of 768 transducer elements. The transducer arrays are translated vertically to scan the breast in a warm water tank from the chest wall/axillary region to the nipple region to acquire ultrasound transmission and reflection data for whole-breast ultrasound tomography imaging. The distance of these two ultrasound transducer arrays is adjustable for scanning breasts with different sizes. We use our breast ultrasound tomography prototype to acquire phantom and in vivo patient ultrasound data to study its feasibility for breast imaging. We apply our recently developed ultrasound imaging and tomography algorithms to ultrasound data acquired using our breast ultrasound tomography system. Our in vivo patient imaging results demonstrate that our breast ultrasound tomography can detect breast lesions shown on clinical ultrasound and mammographic images.
C1 [Huang, Lianjie; Shin, Junseob; Chen, Ting; Lin, Youzuo; Gao, Kai; Intrator, Miranda; Hanson, Kenneth] Los Alamos Natl Lab, MS D452, Los Alamos, NM 87545 USA.
RP Huang, LJ (reprint author), Los Alamos Natl Lab, MS D452, Los Alamos, NM 87545 USA.
EM ljh@lanl.gov
OI Chen, Ting/0000-0002-9599-871X
NR 61
TC 0
Z9 0
U1 1
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 978-1-5106-0018-8
J9 PROC SPIE
PY 2016
VL 9783
AR 97830C
DI 10.1117/12.2216531
PG 12
WC Optics; Physics, Multidisciplinary; Radiology, Nuclear Medicine &
Medical Imaging
SC Optics; Physics; Radiology, Nuclear Medicine & Medical Imaging
GA BE9YS
UT WOS:000378352900011
ER
PT S
AU Lin, YZ
Huang, LJ
AF Lin, Youzuo
Huang, Lianjie
BE Kontos, D
Flohr, TG
Lo, JY
TI Ultrasound waveform tomography with the second-order
total-generalized-variation regularization
SO MEDICAL IMAGING 2016: PHYSICS OF MEDICAL IMAGING
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Medical Imaging - Physics of Medical Imaging
CY FEB 28-MAR 02, 2016
CL San Diego, CA
SP SPIE, Modus Med Devices Inc, Bruker, Poco Graphite, ImXPAD, Carestream Hlth Inc, GE Healthcare
DE Breast tumor; sound speed; total-generalized-variation regularization;
ultrasound reflection; ultrasound transmission; ultrasound waveform
tomography
ID IMAGE-RESTORATION; ALGORITHM
AB Ultrasound waveform tomography with the total-variation regularization could improve reconstructions of tumor margins, but the reconstructions usually contain unwanted blocky artifacts. We develop a new ultrasound waveform tomography method with a second-order total-generalized-variation regularization scheme to improve tomographic reconstructions of breast tumors and remove blocky artifacts in reconstruction results. We validate our new method using numerical phantom data and real phantom data acquired using our synthetic-aperture breast ultrasound tomography system with two parallel transducer arrays. Compared to reconstructions of ultrasound waveform tomography with modified total variation regularization, our new ultrasound waveform tomography yields accurate sound-speed reconstruction results with significantly reduced artifacts.
C1 [Lin, Youzuo; Huang, Lianjie] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RP Lin, YZ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
NR 17
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 978-1-5106-0018-8
J9 PROC SPIE
PY 2016
VL 9783
AR 978356
DI 10.1117/12.2216422
PG 7
WC Optics; Physics, Multidisciplinary; Radiology, Nuclear Medicine &
Medical Imaging
SC Optics; Physics; Radiology, Nuclear Medicine & Medical Imaging
GA BE9YS
UT WOS:000378352900176
ER
PT S
AU Michael, S
Chow, WW
Schneider, HC
AF Michael, Stephan
Chow, Weng W.
Schneider, Hans Christian
BE Belyanin, AA
Smowton, PM
TI Quantum dots as active material for quantum cascade lasers: Comparison
to quantum wells
SO NOVEL IN-PLANE SEMICONDUCTOR LASERS XV
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Novel In-Plane Semiconductor Lasers XV
CY FEB 15-18, 2016
CL San Francisco, CA
SP SPIE
DE Semiconductor Laser; Quantum Dots; Quantum Cascade Laser
ID INFRARED PHOTODETECTORS; ROOM-TEMPERATURE; MU-M; THRESHOLD; DIODE
AB We review a microscopic laser theory for quantum dots as active material for quantum cascade lasers, in which carrier collisions are treated at the level of quantum kinetic equations. The computed characteristics of such a. quantum-clot active material are compared to a state-of-the-art quantum-well quantum cascade laser. We find that the current requirement to achieve a. comparable gain-length product is reduced compared to that of the quantum-well quantum cascade laser.
C1 [Michael, Stephan; Schneider, Hans Christian] Univ Kaiserslautern, Dept Phys, POB 3049, D-67653 Kaiserslautern, Germany.
[Michael, Stephan; Schneider, Hans Christian] Univ Kaiserslautern, Res Ctr OPTIMAS, POB 3049, D-67653 Kaiserslautern, Germany.
[Chow, Weng W.] Sandia Natl Labs, Semicond Mat & Device Sci Dept, POB 5800, Albuquerque, NM 87185 USA.
RP Michael, S (reprint author), Univ Kaiserslautern, Dept Phys, POB 3049, D-67653 Kaiserslautern, Germany.; Michael, S (reprint author), Univ Kaiserslautern, Res Ctr OPTIMAS, POB 3049, D-67653 Kaiserslautern, Germany.
RI Schneider, Hans Christian/B-9450-2009
OI Schneider, Hans Christian/0000-0001-7656-4919
NR 24
TC 1
Z9 1
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 978-1-5106-0002-7
J9 PROC SPIE
PY 2016
VL 9767
AR 97671E
DI 10.1117/12.2213324
PG 6
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BE9WJ
UT WOS:000378312100025
ER
PT J
AU Strydom, G
Epiney, AS
Alfonsi, A
Rabiti, C
AF Strydom, G.
Epiney, A. S.
Alfonsi, A.
Rabiti, C.
TI Comparison of the PHISICS/RELAP5-3D Ring and Block Model Results for
Phase I of the OECD/NEA MHTGR-350 Benchmark
SO NUCLEAR TECHNOLOGY
LA English
DT Article
DE HTGR; RELAP5-3D; PHISICS
AB The Parallel and Highly Innovative Simulation for INL Code System (PHISICS) has been under development at Idaho National Laboratory since 2010. It consists of several modules providing improved coupled core simulation capability: INSTANT (Intelligent Nodal and Semi-structured Treatment for Advanced Neutron Transport) (three-dimensional nodal transport core calculations); MRTAU (Multi-Reactor Transmutation Analysis Utility) (depletion and decay heat generation); and modules performing criticality searches, fuel shuffling, and generalized perturbation. Coupling of the PHISICS code suite to the thermal-hydraulic system code RELAP5-3D was finalized in 2013, and as part of the verification and validation effort, the first phase of the Organisation for Economic Co-operation and Development/Nuclear Energy Agency (OECD/NEA) MHTGR-350 benchmark has now been completed.
The theoretical basis and latest development status of the coupled PHISICS/RELAP5-3D tool are described in more detail in a concurrent paper. This paper provides an overview of the OECD/NEA MHTGR-350 benchmark and presents the results of exercises 2 and 3 defined for phase I. Exercise 2 required the modeling of a stand-alone thermal fluids solution at the end of equilibrium cycle for the Modular High Temperature Gas-Cooled Reactor (MHTGR). The RELAP5-3D results of four subcases are discussed, consisting of various combinations of coolant bypass flows and material thermophysical properties. Exercise 3 required a coupled neutronics and thermal fluids solution, and the PHISICS/RELAP5-3D code suite was used to calculate the results of two subcases.
The main focus of this paper is a comparison of results obtained with the traditional RELAP5-3D "ring" model approach against a much more detailed model that includes kinetics feedback on individual "block" level and thermal feedbacks on a triangular submesh. The higher fidelity that can be obtained by this block model is illustrated with comparison results on the temperature, power density, and flux distributions. It is shown that the ring model leads to significantly lower fuel temperatures (up to 10%) when compared with the higher-fidelity block model and that the additional model development and run-time efforts are worth the gains obtained in the improved spatial temperature and flux distributions.
C1 [Strydom, G.; Epiney, A. S.; Alfonsi, A.; Rabiti, C.] Idaho Natl Lab, Nucl Sci & Technol Div, 2525 North Fremont Ave, Idaho Falls, ID 83415 USA.
RP Strydom, G (reprint author), Idaho Natl Lab, Nucl Sci & Technol Div, 2525 North Fremont Ave, Idaho Falls, ID 83415 USA.
EM gerhard.strydom@inl.gov
RI Strydom, Gerhard/B-4865-2017
OI Strydom, Gerhard/0000-0002-5712-8553
NR 15
TC 0
Z9 0
U1 0
U2 1
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5450
EI 1943-7471
J9 NUCL TECHNOL
JI Nucl. Technol.
PD JAN
PY 2016
VL 193
IS 1
SI SI
BP 15
EP 35
DI 10.13182/NT14-146
PG 21
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DP0GG
UT WOS:000378166600003
ER
PT J
AU Mandelli, D
Smith, C
Riley, T
Nielsen, J
Alfonsi, A
Cogliati, J
Rabiti, C
Schroeder, J
AF Mandelli, D.
Smith, C.
Riley, T.
Nielsen, J.
Alfonsi, A.
Cogliati, J.
Rabiti, C.
Schroeder, J.
TI BWR Station Blackout: A RISMC Analysis Using RAVEN and RELAP5-3D
SO NUCLEAR TECHNOLOGY
LA English
DT Article
DE Dynamic PRA; safety margin; station blackout
AB The existing fleet of nuclear power plants is in the process of having its lifetime extended and having the power generated from these plants increased via power uprates and improved operations. In order to evaluate the impact of these factors on the safety of the plant, the Risk-Informed Safety Margin Characterization (RISMC) pathway aims to provide insights to decision makers through a series of simulations of the plant dynamics for different initial conditions and accident scenarios. This paper presents a case study in order to show the capabilities of the RISMC methodology to assess the impact of power uprate of a boiling water reactor system during a station blackout accident scenario. We employ a system simulator code, RELAP5-3D, coupled with RAVEN, which performs the stochastic analysis. Our analysis is performed by (a) sampling values from a set of parameters from the uncertainty space of interest, (b) simulating the system behavior for that specific set of parameter values, and (c) analyzing the outcomes from the set of simulation runs.
C1 [Mandelli, D.; Smith, C.; Riley, T.; Nielsen, J.; Alfonsi, A.; Cogliati, J.; Rabiti, C.; Schroeder, J.] Idaho Natl Lab, 2525 North Fremont Ave, Idaho Falls, ID 83415 USA.
RP Mandelli, D (reprint author), Idaho Natl Lab, 2525 North Fremont Ave, Idaho Falls, ID 83415 USA.
EM diego.mandelli@inl.gov
OI Alfonsi, Andrea/0000-0003-2866-4346
NR 32
TC 0
Z9 0
U1 0
U2 0
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5450
EI 1943-7471
J9 NUCL TECHNOL
JI Nucl. Technol.
PD JAN
PY 2016
VL 193
IS 1
SI SI
BP 161
EP 174
DI 10.13182/NT14-142
PG 14
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DP0GG
UT WOS:000378166600009
ER
PT J
AU Balestra, P
Parisi, C
Alfonsi, A
Rabiti, C
AF Balestra, P.
Parisi, C.
Alfonsi, A.
Rabiti, C.
TI Simulation of AER-DYN-002 and AER-DYN-003 Control Rod Ejection
Benchmarks by RELAP5-3D/PHISICS Coupled Codes
SO NUCLEAR TECHNOLOGY
LA English
DT Article
DE RELAP5-3D/PHISICS coupling; control rod ejection; AER-DYN-002;
AER-DYN-003
AB ENEA "Casaccia" Research Center is collaborating with Idaho National Laboratory performing activities devoted to the validation of the Parallel and Highly Innovative Simulation for INL Code System (PHISICS) neutron simulation code. In such framework, the AER-DYN-002 and AER-DYN-003 control rod (CR) ejection benchmarks were used to validate the coupled codes RELAP5-3D/PHISICS.
The AER-DYN-002 benchmark provides a test case of a CR ejection accident in a VVER-440 at hot-zero-power and end-of-cycle conditions assuming an adiabatic fuel and taking into account only the fuel temperature feedback. The AER-DYN-003 benchmark is based on the same problem; however, the moderator density feedback and the coolant heat removal are also considered. A RELAP5-3D core channel-by-channel, thermal-hydraulic nodalization was developed and coupled, first with the RELAP5-3D internal neutronic routine NESTLE and then with the PHISICS code. Analysis of the AER-DYN-002 results shows that the steady-state solutions are in good agreement with the other participants' average solution, while some differences are shown in the transient simulations. In the AER-DYN-003 benchmark, however, both steady-state and transient results are in good agreement with the average solution.
C1 [Balestra, P.; Parisi, C.] Casaccia Res Ctr, ENEA, UTFISST SIMING Lab, Rome, Italy.
[Alfonsi, A.; Rabiti, C.] Idaho Natl Lab, Idaho Falls, ID USA.
RP Balestra, P (reprint author), Casaccia Res Ctr, ENEA, UTFISST SIMING Lab, Rome, Italy.
EM paolo.balestra@enea.it
OI BALESTRA, PAOLO/0000-0002-1983-7201
NR 11
TC 0
Z9 0
U1 3
U2 3
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5450
EI 1943-7471
J9 NUCL TECHNOL
JI Nucl. Technol.
PD JAN
PY 2016
VL 193
IS 1
SI SI
BP 175
EP 182
DI 10.13182/NT14-138
PG 8
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DP0GG
UT WOS:000378166600010
ER
PT J
AU Forsmann, JH
AF Forsmann, J. Hope
TI RELAP5-3D User Tools
SO NUCLEAR TECHNOLOGY
LA English
DT Article
DE RELAP5-3D; RGUI; Pygmalion
AB To support the functionality of RELAP5-3D for best-estimate reactor simulation code, a variety of utility programs were developed at Idaho National Laboratory. Conversion and upgrades of RELAP5-3D to FORTRAN 95 required the upgrades of these utility programs as well. Pygmalion (Pygi) and the RELAP5-3D Graphical User Interface (RGUI) are two of the utility programs that were upgraded and enhanced.
Pygi creates a copy of a RELAP5-3D input file with updated initial condition information. From the restart/plot file of the RELAP5-3D run of an input deck, Pygi obtains the final conditions for each component. It creates a new input file that replaces the original input file values with updated conditions. This provides an accurate and efficient means of creating new input decks with steady-state input conditions.
RGUI is an alternative to the command line interface for performing RELAP5-3D-related work. RGUI provides single-interface access to other RELAP5-3D tools such as Pygi. It is highly configurable, allowing the user to customize the environment. The interface runs on both Linux and Windows.
This suite of utility programs is continually being enhanced to provide better support for RELAP5-3D users. This technical note provides details of Pygi and RGUI functionality. Future plans for enhancements are also included.
C1 [Forsmann, J. Hope] Idaho Natl Lab, Dev Team RELAP5 3D, 2525 Fremont Ave, Idaho Falls, ID 83402 USA.
RP Forsmann, JH (reprint author), Idaho Natl Lab, Dev Team RELAP5 3D, 2525 Fremont Ave, Idaho Falls, ID 83402 USA.
EM Hope.forsmann@inl.gov
NR 9
TC 0
Z9 0
U1 1
U2 1
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5450
EI 1943-7471
J9 NUCL TECHNOL
JI Nucl. Technol.
PD JAN
PY 2016
VL 193
IS 1
SI SI
BP 213
EP 217
DI 10.13182/NT14-141
PG 5
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DP0GG
UT WOS:000378166600013
ER
PT S
AU Levenson, RM
Harmany, Z
Demos, SG
Fereidouni, F
AF Levenson, Richard M.
Harmany, Zachary
Demos, Stavros G.
Fereidouni, Farzad
BE Alfano, RR
Demos, SG
TI Slide-free histology via MUSE: UV surface excitation microscopy for
imaging unsectioned tissue (Conference Presentation)
SO OPTICAL BIOPSY XIV: TOWARD REAL-TIME SPECTROSCOPIC IMAGING AND DIAGNOSIS
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Optical Biopsy XIV - Toward Real-Time Spectroscopic
Imaging and Diagnosis
CY FEB 15-17, 2016
CL San Francisco, CA
SP SPIE
C1 [Levenson, Richard M.; Harmany, Zachary; Fereidouni, Farzad] Univ Calif Davis, Davis, CA 95616 USA.
[Demos, Stavros G.] Lawrence Livermore Natl Lab, Livermore, CA USA.
RP Levenson, RM (reprint author), Univ Calif Davis, Davis, CA 95616 USA.
NR 0
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 978-1-62841-937-5
J9 PROC SPIE
PY 2016
VL 9703
AR 97030J
DI 10.1117/12.2219407
PG 1
WC Optics; Radiology, Nuclear Medicine & Medical Imaging
SC Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BE9UY
UT WOS:000378218400017
ER
PT S
AU Chong, XY
Kim, KJ
Li, E
Zhang, YJ
Ohodnicki, PR
Chang, CH
Wang, AX
AF Chong, Xinyuan
Kim, Ki-Joong
Li, Erwen
Zhang, Yujing
Ohodnicki, Paul R.
Chang, Chih-Hung
Wang, Alan X.
BE Gannot, I
TI Ultra-Sensitive Near-Infrared Fiber-Optic Gas Sensors Enhanced by
Metal-Organic Frameworks
SO OPTICAL FIBERS AND SENSORS FOR MEDICAL DIAGNOSTICS AND TREATMENT
APPLICATIONS XVI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Optical Fibers and Sensors for Medical Diagnostics and
Treatment Applications XVI
CY FEB 13-14, 2016
CL San Francisco, CA
SP SPIE
DE Gas sensing; Near-infrared; Metal-organic framework
ID HYDROGEN STORAGE; DRUG-DELIVERY; SEPARATION; SUBSTRATE; CATALYSIS;
CAPTURE; SITES
AB We demonstrate ultra-sensitive near-infrared (NIR) fiber-optic gas sensors enhanced by metal-organic framework (MOF) Cu-BTC (BTC=benzene-1,3,5- tricarboxylate), which is coated on a single-mode optical fiber. For the first time, we obtained high-resolution NIR spectroscopy of CO2 adsorbed in MOF without seeing any rotational side band. Real-time measurement showed different response time depending on the concentration of CO2, which is attributed to the complex adsorption and desorption mechanism of CO2 in Cu-BTC. The lowest detection limit of CO2 we achieved is 20 ppm with only 5-cm long Cu-BTC film.
C1 [Chong, Xinyuan; Li, Erwen; Wang, Alan X.] Oregon State Univ, Sch Elect Engn & Comp Sci, Corvallis, OR 97331 USA.
[Kim, Ki-Joong; Zhang, Yujing; Chang, Chih-Hung] Oregon State Univ, Sch Chem Biol & Environm Engn, Corvallis, OR 97331 USA.
[Ohodnicki, Paul R.] United States Dept Energy, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
RP Chong, XY (reprint author), Oregon State Univ, Sch Elect Engn & Comp Sci, Corvallis, OR 97331 USA.
NR 36
TC 1
Z9 1
U1 12
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 978-1-62841-936-8
J9 PROC SPIE
PY 2016
VL 9702
AR 970207
DI 10.1117/12.2214021
PG 7
WC Remote Sensing; Optics; Radiology, Nuclear Medicine & Medical Imaging
SC Remote Sensing; Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BE9RZ
UT WOS:000378117400006
ER
PT S
AU Nawn, CD
Souhan, BE
Carter, R
Kneapler, C
Fell, N
Ye, JY
AF Nawn, Corinne D.
Souhan, Brian E.
Carter, Robert, III
Kneapler, Caitlin
Fell, Nicholas
Ye, Jing Yong
BE Gannot, I
TI Spectral characterization of tracheal and esophageal tissues using a
hyperspectral camera and fiber optic sensors
SO OPTICAL FIBERS AND SENSORS FOR MEDICAL DIAGNOSTICS AND TREATMENT
APPLICATIONS XVI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Optical Fibers and Sensors for Medical Diagnostics and
Treatment Applications XVI
CY FEB 13-14, 2016
CL San Francisco, CA
SP SPIE
DE Spectral characterization; tracheal tissue; hyperspectral camera; fiber
optics; intubation; esophageal tissue; airway management
ID INTUBATION
AB During emergency medical situations where the patient has an obstructed airway or necessitates respiratory support, endotracheal intubation (ETI) is the medical technique of placing a tube into the trachea in order to facilitate adequate ventilation of the lungs. In particular, the anatomical, visual and time-sensitive challenges presented in these scenarios, such as in trauma, require a skilled provider in order to successfully place the tube into the trachea. Complications during ETI such as repeated attempts, failed intubation or accidental intubation of the esophagus can lead to severe consequences or ultimately death. Consequently, a need exists for a feedback mechanism to aid providers in performing successful ETI. To investigate potential characteristics to exploit as a feedback mechanism, our study examined the spectral properties of the trachea tissue to determine whether a unique spectral profile exists. In this work, hyperspectral cameras and fiber optic sensors were used to capture and analyze the reflectance profiles of tracheal and esophageal tissues illuminated with UV and white light. Our results show consistent and specific spectral characteristics of the trachea, providing foundational support for using spectral properties to detect features of the trachea.
C1 [Nawn, Corinne D.; Carter, Robert, III] US Army, Inst Surg Res, 3698 Chambers Pass, Ft Sam Houston, TX 78234 USA.
[Nawn, Corinne D.] Oak Ridge Inst Sci & Educ, 4692 Millennium Dr,Suite 101, Belcamp, MD 21017 USA.
[Souhan, Brian E.; Kneapler, Caitlin; Fell, Nicholas] US Mil Acad, 606 Thayer Rd, West Point, NY 10996 USA.
[Nawn, Corinne D.; Ye, Jing Yong] Univ Texas San Antonio, One UTSA Circle, San Antonio, TX 78249 USA.
RP Nawn, CD (reprint author), US Army, Inst Surg Res, 3698 Chambers Pass, Ft Sam Houston, TX 78234 USA.; Nawn, CD (reprint author), Oak Ridge Inst Sci & Educ, 4692 Millennium Dr,Suite 101, Belcamp, MD 21017 USA.; Nawn, CD (reprint author), Univ Texas San Antonio, One UTSA Circle, San Antonio, TX 78249 USA.
NR 7
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 978-1-62841-936-8
J9 PROC SPIE
PY 2016
VL 9702
AR 970212
DI 10.1117/12.2211406
PG 7
WC Remote Sensing; Optics; Radiology, Nuclear Medicine & Medical Imaging
SC Remote Sensing; Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BE9RZ
UT WOS:000378117400033
ER
PT S
AU Muckley, ES
Nelson, AJ
Jacobs, CB
Ivanov, IN
AF Muckley, Eric S.
Nelson, Anthony J.
Jacobs, Christopher B.
Ivanov, Ilia N.
BE Tabor, CE
Kajzar, F
Kaino, T
Koike, Y
TI Effect of UV irradiation on adsorption/desorption of oxygen and water on
carbon nanotubes
SO ORGANIC PHOTONIC MATERIALS AND DEVICES XVIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Organic Photonic Materials and Devices XVIII
CY FEB 15-17, 2016
CL San Francisco, CA
SP SPIE
ID C-60 FILMS; THIN-FILMS; GRAPHENE; ADSORPTION; PHOTODESORPTION;
MOLECULES; BUNDLES; SENSOR
AB Carbon nanotube (CNT) films composed of semiconducting single wall nanotubes (s-SWNTs), metallic single wall nanotubes (m-SWNTs), and multiwall nanotubes (MWNTs) were exposed to O-2 and H2O vapor in the dark and under UV irradiation. Changes in the film conductivity and mass were measured in situ. We find that UV irradiation increases the resistive response of CNT films to O-2 and H2O by more than an order of magnitude. In m-SWNT and MWNT films, UV irradiation changes the sign of the resistive response to O-2 and H2O by generating free charge carriers. S-SWNTs show the largest UV-induced resistive response and exhibit weakening of van der Waals interactions with the QCM crystal when exposed to gas/vapor.
C1 [Muckley, Eric S.; Jacobs, Christopher B.; Ivanov, Ilia N.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Muckley, Eric S.] Univ Tennessee, Bredesen Ctr Energy Sci & Engn, Knoxville, TN 37996 USA.
[Nelson, Anthony J.] Virginia Tech, Dept Engn Mech, Blacksburg, VA 24061 USA.
RP Muckley, ES (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.; Muckley, ES (reprint author), Univ Tennessee, Bredesen Ctr Energy Sci & Engn, Knoxville, TN 37996 USA.
EM muckleyes@ornl.gov; ivanovin@ornl.gov
RI ivanov, ilia/D-3402-2015;
OI ivanov, ilia/0000-0002-6726-2502; Jacobs,
Christopher/0000-0001-7906-6368; Muckley, Eric/0000-0001-7114-5424
NR 35
TC 0
Z9 0
U1 3
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 978-1-62841-980-1
J9 PROC SPIE
PY 2016
VL 9745
AR 97451K
DI 10.1117/12.2214462
PG 9
WC Optics; Physics, Applied
SC Optics; Physics
GA BF0AY
UT WOS:000378435500018
ER
PT J
AU Theodosopoulos, GV
Hurley, CM
Mays, JW
Sakellariou, G
Baskaran, D
AF Theodosopoulos, George V.
Hurley, Christopher M.
Mays, Jimmy W.
Sakellariou, Georgios
Baskaran, Durairaj
TI Trifunctional organolithium initiator for living anionic polymerization
in hydrocarbon solvents in the absence of polar additives
SO POLYMER CHEMISTRY
LA English
DT Article
ID DILUTE-SOLUTION BEHAVIOR; DILITHIUM INITIATORS; STAR POLYMERS;
BRANCH-POINTS; 1,1-DIPHENYLETHYLENE; POLYSTYRENES; COPOLYMERS;
ARCHITECTURES; CENTIPEDES; MONOMERS
AB A novel hydrocarbon-soluble trifunctional organolithium initiator, with no polar-additive requirements, has been synthesized for use in anionic polymerization. The complete synthesis of the unsaturated tri-diphenylethylene compound, 4,4,4-(ethane-1,1,1-triyl)tris(((3-(1-phenylvinyl)benzyl)oxy)benzene) (I), is described and the efficiency of the new initiator is evaluated using H-1 NMR and Nano-assisted Laser Desorption/lonization Time-of-Flight Mass Spectrometry (NALDI-TOF MS). Activation of precursor I, was performed in situ using stoichiometric amounts of sec-BuLi in benzene. Three-arm polystyrene and poly-isoprene stars with narrow molecular weight distributions were obtained in the case of relatively high total anion concentration, [sec-BuLi](0) > 3.8 x 10(-3) mol L-1 (3 x [I](0)). At low total anion concentrations, uncontrolled molecular weight and broad/bimodal distributions were obtained, plausibly attributed to the presence of partially solvated aggregation dynamics complicating the propagation. The 'living' nature of the polymerization was confirmed by the sequential polymerization of styrene, and isoprene. The viscometric branching factor g' values of the final branched polymers were measured and compared to g' values of three-arm stars reported in the literature.
C1 [Theodosopoulos, George V.; Sakellariou, Georgios] Univ Athens, Dept Chem, Athens 15771, Greece.
[Mays, Jimmy W.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Hurley, Christopher M.; Mays, Jimmy W.; Baskaran, Durairaj] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Baskaran, Durairaj] EMD Performance Mat USA Corp, Branchburg, NJ 08876 USA.
RP Sakellariou, G (reprint author), Univ Athens, Dept Chem, Athens 15771, Greece.; Baskaran, D (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.; Baskaran, D (reprint author), EMD Performance Mat USA Corp, Branchburg, NJ 08876 USA.
EM gsakellariou@chem.uoa.gr; durairaj.baskaran@emdgroup.com
FU U. S. Army Research Office [W911NF-10-1-0297]; Center for Nanophase
Materials Sciences - Oak Ridge National Laboratory by the U. S.
Department of Energy
FX G. V. T. would like to thank Drs Theodoris C. Vasilakopoulos and Sachin
Bobade for their helpful comments. D. B. and J. M. acknowledge a grant
from the U. S. Army Research Office (W911NF-10-1-0297). A portion of
this work was supported by a user project at the Center for Nanophase
Materials Sciences supported at Oak Ridge National Laboratory by the U.
S. Department of Energy.
NR 42
TC 1
Z9 1
U1 3
U2 10
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 2016
VL 7
IS 24
BP 4090
EP 4099
DI 10.1039/c6py00720a
PG 10
WC Polymer Science
SC Polymer Science
GA DP1ST
UT WOS:000378270400016
ER
PT J
AU Van Zeeland, R
Li, XL
Huang, WY
Stanley, LM
AF Van Zeeland, Ryan
Li, Xinle
Huang, Wenyu
Stanley, Levi M.
TI MOF-253-Pd(OAc)(2): a recyclable MOF for transition-metal catalysis in
water
SO RSC ADVANCES
LA English
DT Article
ID ORGANIC FRAMEWORKS; ARYLBORONIC ACIDS; HIGHLY EFFICIENT; CONJUGATE
ADDITION; COUPLING REACTIONS; AQUEOUS-MEDIA; PALLADIUM; OXIDATION;
TRANSFORMATIONS; COMPLEX
AB We report palladium(II)-functionalized MOF-253 (MOF-253-Pd(OAc)(2)) as a recyclable catalyst to form all-carbon quaternary centers via conjugate additions of arylboronic acids to beta,beta-disubstituted enones in aqueous media. We demonstrate MOF-253-Pd(OAc)(2) can be reused 8 times to form ketone products in yields above 75% whilemaintaining its crystallinity. Additions of a range of stereoelectronically diverse arylboronic acids to a variety of b, b-disubstituted enones catalyzed by MOF-253-Pd(OAc)(2) occur in modest-to-high yields (34-95%).
C1 [Van Zeeland, Ryan; Li, Xinle; Huang, Wenyu; Stanley, Levi M.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
[Li, Xinle; Huang, Wenyu] US DOE, Ames Lab, Ames, IA 50011 USA.
RP Huang, WY; Stanley, LM (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA.; Huang, WY (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA.
EM whuang@iastate.edu; lstanley@iastate.edu
RI Huang, Wenyu/L-3784-2014
OI Huang, Wenyu/0000-0003-2327-7259
FU Iowa State University; Iowa State University Center for Catalysis; Ames
Laboratory; U.S. Department of Energy [DE-AC02-07CH11358]
FX We thank Iowa State University, the Iowa State University Center for
Catalysis, and the Ames Laboratory for supporting this work. The Ames
Laboratory is operated for the U.S. Department of Energy by Iowa State
University under contract number DE-AC02-07CH11358. We thank Professor
Gordon J. Miller (Iowa State University) for use of PXRD instrumentation
in his group.
NR 47
TC 1
Z9 1
U1 11
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 2016
VL 6
IS 61
BP 56330
EP 56334
DI 10.1039/c6ra12746k
PG 5
WC Chemistry, Multidisciplinary
SC Chemistry
GA DP1UR
UT WOS:000378275400079
ER
PT S
AU Hobbs, BF
Xu, Q
Kasina, S
Park, SW
Ouyang, J
Ho, JL
Donohoo-Vallett, PE
AF Hobbs, Benjamin F.
Xu, Qingyu
Kasina, Saamrat
Park, Sang Woo
Ouyang, Jasmine
Ho, Jonathan L.
Donohoo-Vallett, Pcarl E.
BE Bui, TX
Sprague, RH
TI What is the Benefit of Including Uncertainty in Transmission Planning? A
WECC Case Study
SO 2016 49TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 49th Hawaii International Conference on System Sciences (HICSS)
CY JAN 05-08, 2016
CL Koloa, HI
SP Pacific Res Inst Informat Syst & Management, Univ Hawaii, Shidler Coll Business, Dept IT Management, IBM, Provalis Res, Int Soc Serv Innovat, Teradata, Univ Network
ID EXPANSION; MODEL; MARKET
AB The electricity industry has undergone a series of radical economic, policy, and technology changes over the past several decades. More changes are to come, to be sure, but their nature and magnitude is highly uncertain. Such changes in market fundamentals profoundly impact the economic value of transmission. This paper quantifies the economic value of stochastic programming for transmission planning over a multidecadal time horizon, considering how generation investment reacts to network reinforcements and how the grid can be adapted later on as circumstances change. The economic value is the difference between the probability-weighted present worth of cost of (1) a stochastic model that chooses first-stage (through 2024) lines to minimize that cost and (2) a stochastic model whose 2024 lines are constrained to be those that were chosen by a suboptimal process, such as deterministic decision making. Even considering a small number of scenarios can drastically improve solutions.
C1 [Hobbs, Benjamin F.; Xu, Qingyu; Kasina, Saamrat; Park, Sang Woo; Ouyang, Jasmine] Johns Hopkins Univ, Baltimore, MD 21218 USA.
[Ho, Jonathan L.] Natl Renewable Energy Lab, Golden, CO USA.
[Donohoo-Vallett, Pcarl E.] Brattle Grp, Cambridge, MA USA.
RP Hobbs, BF (reprint author), Johns Hopkins Univ, Baltimore, MD 21218 USA.
EM bhobbs@jhu.edu; Jonathan.Ho@nrel.gov; Pearl.Donohoo-Vallett@brattle.com
NR 21
TC 0
Z9 0
U1 0
U2 0
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA
SN 1060-3425
BN 978-0-7695-5670-3
J9 P ANN HICSS
PY 2016
BP 2364
EP 2371
DI 10.1109/HICSS.2016.295
PG 8
WC Computer Science, Information Systems; Computer Science, Theory &
Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BE9EW
UT WOS:000377358202056
ER
PT S
AU Liu, GD
Ceylan, O
Xiao, BL
Starke, M
Ollis, B
King, D
Irminger, P
Tomsovic, K
AF Liu, Guodong
Ceylan, Oguzhan
Xiao, Bailu
Starke, Michael
Ollis, Ben
King, Daniel
Irminger, Philip
Tomsovic, Kevin
BE Bui, TX
Sprague, RH
TI Advanced Energy Storage Management in Distribution Network
SO 2016 49TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 49th Hawaii International Conference on System Sciences (HICSS)
CY JAN 05-08, 2016
CL Koloa, HI
SP Pacific Res Inst Informat Syst & Management, Univ Hawaii, Shidler Coll Business, Dept IT Management, IBM, Provalis Res, Int Soc Serv Innovat, Teradata, Univ Network
DE Voltage regulation; sensitivity coefficients; linearization; distributed
generation (DG); multiobjective optimization; unbalanced distribution
network
ID DISTRIBUTION POWER-FLOW; DISTRIBUTION-SYSTEMS; VOLTAGE CONTROL;
GENERATION; COORDINATION; PENETRATION; RESOURCES
AB With increasing penetration of distributed generation (DG) in the distribution networks (DN), the secure and optimal operation of DN has become an important concern. In this paper, an iterative mixed integer quadratic constrained quadratic programming model to optimize the operation of a three phase unbalanced distribution system with high penetration of Photovoltaic (PV) panels, DG and energy storage (ES) is developed. The proposed model minimizes not only the operating cost, including fuel cost and purchasing cost, but also voltage deviations and power loss. The optimization model is based on the linearized sensitivity coefficients between state variables (e.g., node voltages) and control variables (e.g., real and reactive power injections of DG and ES). To avoid slow convergence when close to the optimum, a golden search method is introduced to control the step size and accelerate the convergence. The proposed algorithm is demonstrated on modified IEEE 13 nodes test feeders with multiple PV panels, DG and ES. Numerical simulation results validate the proposed algorithm. Various scenarios of system configuration are studied and some critical findings are concluded.
C1 [Liu, Guodong; Xiao, Bailu; Starke, Michael; Ollis, Ben; King, Daniel; Irminger, Philip] Oak Ridge Natl Lab, Power & Energy Syst Grp, Oak Ridge, TN 37381 USA.
[Ceylan, Oguzhan; Tomsovic, Kevin] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA.
RP Liu, GD (reprint author), Oak Ridge Natl Lab, Power & Energy Syst Grp, Oak Ridge, TN 37381 USA.
EM liug@ornl.gov; oceylan@utk.edu; xiaob@ornl.gov; starkemr@ornl.gov;
ollistb@ornl.gov; kingdj@ornl.gov; irmingerp@ornl.gov;
tomsovic@tennessee.edu
OI Ollis, Thomas/0000-0001-9016-4268
NR 25
TC 0
Z9 0
U1 0
U2 1
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA
SN 1060-3425
BN 978-0-7695-5670-3
J9 P ANN HICSS
PY 2016
BP 2381
EP 2389
DI 10.1109/HICSS.2016.298
PG 9
WC Computer Science, Information Systems; Computer Science, Theory &
Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BE9EW
UT WOS:000377358202059
ER
PT S
AU Gallo, G
AF Gallo, Giulia
BE Bui, TX
Sprague, RH
TI An integrated agent-based and production cost modeling framework for
renewable energy studies
SO 2016 49TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 49th Hawaii International Conference on System Sciences (HICSS)
CY JAN 05-08, 2016
CL Koloa, HI
SP Pacific Res Inst Informat Syst & Management, Univ Hawaii, Shidler Coll Business, Dept IT Management, IBM, Provalis Res, Int Soc Serv Innovat, Teradata, Univ Network
ID COMPETITIVE ELECTRICITY MARKETS; AUCTIONS; POWER
AB The agent-based framework for renewable energy studies (ARES) is an integrated approach that adds an agent-based model of industry actors to PLEXOS and combines the strengths of the two to overcome their individual shortcomings. It can examine existing and novel wholesale electricity markets under high penetrations of renewables. ARES is demonstrated by studying how increasing levels of wind will impact the operations and the exercise of market power of generation companies that exploit an economic withholding strategy. The analysis is carried out on a test system that represents the Electric Reliability Council of Texas energy-only market in the year 2020. The results more realistically reproduce the operations of an energy market under different and increasing penetrations of wind, and ARES can be extended to address pressing issues in current and future wholesale electricity markets.
C1 [Gallo, Giulia] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Gallo, G (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM giulia.gallo@nrel.gov
RI Gallo, Giulia/A-6203-2017
OI Gallo, Giulia/0000-0002-6520-5889
NR 42
TC 0
Z9 0
U1 2
U2 2
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA
SN 1060-3425
BN 978-0-7695-5670-3
J9 P ANN HICSS
PY 2016
BP 2390
EP 2399
DI 10.1109/HICSS.2016.299
PG 10
WC Computer Science, Information Systems; Computer Science, Theory &
Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BE9EW
UT WOS:000377358202060
ER
PT S
AU Behboodi, S
Chassin, DP
Crawford, C
Djilali, N
AF Behboodi, Sahand
Chassin, David P.
Crawford, Curran
Djilali, Ned
BE Bui, TX
Sprague, RH
TI Electric Vehicle Participation in Transactive Power Systems Using
Real-time Retail Prices
SO 2016 49TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 49th Hawaii International Conference on System Sciences (HICSS)
CY JAN 05-08, 2016
CL Koloa, HI
SP Pacific Res Inst Informat Syst & Management, Univ Hawaii, Shidler Coll Business, Dept IT Management, IBM, Provalis Res, Int Soc Serv Innovat, Teradata, Univ Network
ID DEMAND RESPONSE; GRID INTEGRATION; CHARGING LOAD; MANAGEMENT; DISPATCH
AB Smart grids can help Plug-in Electric Vehicles (PEV) manage their load in a grid-friendly way. In this paper, we consider the case of PEVs participating in a retail double auction electricity regulation market, as in the so-called "transactive control" paradigm.
Price-responsive charging of PEVs is modeled in conjunction with real-time retail price signals from the utility. PEVs can defer charging or even discharge when the retail prices are high. Buy and sell reservation prices are based on expectations of future prices and opportunity costs of sold energy, respectively. Feeder capacity constraints also affect the retail price and are allowed to rise to the point at which supply equals demand. For the most advanced charging strategies, as the price rises, demand from PEVs drops, and if the constraint causes further price increases, the PEVs can begin to supply energy.
The results show that when rooftop solar energy is available transactive bid-response vehicle charging strategies significantly enhance short-term electricity demand elasticity and can reduce consumer energy costs by more than 75% in comparison to the unresponsive charge case.
C1 [Behboodi, Sahand; Crawford, Curran; Djilali, Ned] Univ Victoria, Dept Mech Engn, Victoria, BC V8W 2Y2, Canada.
[Behboodi, Sahand; Chassin, David P.; Crawford, Curran; Djilali, Ned] Univ Victoria, Inst Integrated Energy Syst, Victoria, BC V8W 2Y2, Canada.
[Chassin, David P.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Behboodi, S (reprint author), Univ Victoria, Dept Mech Engn, Victoria, BC V8W 2Y2, Canada.; Behboodi, S (reprint author), Univ Victoria, Inst Integrated Energy Syst, Victoria, BC V8W 2Y2, Canada.
EM behboodi@uvic.ca; dchassin@uvic.ca; curranc@uvic.ca; ndjilali@uvic.ca
OI Behboodi Kalhori, Sahand/0000-0003-2958-8947; Djilali,
Ned/0000-0002-9047-0289
NR 30
TC 2
Z9 2
U1 3
U2 3
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA
SN 1060-3425
BN 978-0-7695-5670-3
J9 P ANN HICSS
PY 2016
BP 2400
EP 2407
DI 10.1109/HICSS.2016.300
PG 8
WC Computer Science, Information Systems; Computer Science, Theory &
Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BE9EW
UT WOS:000377358202061
ER
PT S
AU Eto, JH
AF Eto, Joseph H.
BE Bui, TX
Sprague, RH
TI Introduction to the Monitoring, Control and Protection Minitrack,
Electric Energy Track
SO 2016 49TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 49th Hawaii International Conference on System Sciences (HICSS)
CY JAN 05-08, 2016
CL Koloa, HI
SP Pacific Res Inst Informat Syst & Management, Univ Hawaii, Shidler Coll Business, Dept IT Management, IBM, Provalis Res, Int Soc Serv Innovat, Teradata, Univ Network
C1 [Eto, Joseph H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Eto, JH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM JHEto@lbl.gov
NR 0
TC 0
Z9 0
U1 0
U2 0
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA
SN 1060-3425
BN 978-0-7695-5670-3
J9 P ANN HICSS
PY 2016
BP 2445
EP 2445
DI 10.1109/HICSS.2016.305
PG 1
WC Computer Science, Information Systems; Computer Science, Theory &
Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BE9EW
UT WOS:000377358202066
ER
PT S
AU Makarov, YV
Meng, D
Vyakaranam, B
Diao, R
Palmer, B
Huang, Z
AF Makarov, Y. V.
Meng, D.
Vyakaranam, B.
Diao, R.
Palmer, B.
Huang, Z.
BE Bui, TX
Sprague, RH
TI Direct Methods to Estimate the Most Limiting Voltage Level and Thermal
Violations in Coordinates of Power Transfers on Critical Transmission
Paths
SO 2016 49TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 49th Hawaii International Conference on System Sciences (HICSS)
CY JAN 05-08, 2016
CL Koloa, HI
SP Pacific Res Inst Informat Syst & Management, Univ Hawaii, Shidler Coll Business, Dept IT Management, IBM, Provalis Res, Int Soc Serv Innovat, Teradata, Univ Network
ID SECURITY REGIONS; SYSTEMS
AB Power system operational nomograms calculated in near-real-time will be more accurate, less conservative and adaptive to changing system conditions compared to the traditionally used pre-calculated nomograms (e.g., seasonal nomograms). In the near-real-time process of exploring multidimensional nomograms in coordinates of meaningful power system parameters (such as transmission path flows), multiple stress directions (loading patterns) should be explored for multiple contingencies. Thermal and voltage violations (TVs and VVs) must be taken into account along with the voltage and transient stability limits. Usually, the TV and VV limits are explored by applying a step-by-step iterative searching procedure helping to locate the exact position of the most limiting violation along each stress direction for the most severe in each contingency being studied. In the near-real-time implementation, the search time for all these limits must be heavily optimized.
This paper presents a direct method (DM) to locate the most limiting violation for varying stress directions and multiple contingencies. The method has been tested on the full 2014 Western Interconnection planning model. The test results are provided in the paper.
C1 [Makarov, Y. V.; Meng, D.; Vyakaranam, B.; Diao, R.; Palmer, B.; Huang, Z.] Pacific NW Natl Lab, Richland, WA 99354 USA.
RP Makarov, YV (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA.
EM Yuri.Makarov@pnnl.gov; Da.Meng@pnnl.gov;
BharatGNVSR.Vyakaranam@pnnl.gov; Ruisheng.Diao@pnnl.gov;
Bruce.Palmer@pnnl.gov; Zhenyu.Huang@pnnl.gov
NR 14
TC 0
Z9 0
U1 0
U2 0
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA
SN 1060-3425
BN 978-0-7695-5670-3
J9 P ANN HICSS
PY 2016
BP 2466
EP 2471
DI 10.1109/HICSS.2016.308
PG 6
WC Computer Science, Information Systems; Computer Science, Theory &
Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BE9EW
UT WOS:000377358202069
ER
PT S
AU Dagle, J
AF Dagle, Jeff
BE Bui, TX
Sprague, RH
TI Resilient Networks Minitrack
SO 2016 49TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 49th Hawaii International Conference on System Sciences (HICSS)
CY JAN 05-08, 2016
CL Koloa, HI
SP Pacific Res Inst Informat Syst & Management, Univ Hawaii, Shidler Coll Business, Dept IT Management, IBM, Provalis Res, Int Soc Serv Innovat, Teradata, Univ Network
C1 [Dagle, Jeff] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Dagle, J (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA
SN 1060-3425
BN 978-0-7695-5670-3
J9 P ANN HICSS
PY 2016
BP 2518
EP 2518
DI 10.1109/HICSS.2016.314
PG 1
WC Computer Science, Information Systems; Computer Science, Theory &
Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BE9EW
UT WOS:000377358202075
ER
PT S
AU Zlotnik, A
Chertkov, M
Turitsyn, K
AF Zlotnik, Anatoly
Chertkov, Michael
Turitsyn, Konstantin
BE Bui, TX
Sprague, RH
TI Assessing risk of gas shortage in coupled gas-electricity
infrastructures
SO 2016 49TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 49th Hawaii International Conference on System Sciences (HICSS)
CY JAN 05-08, 2016
CL Koloa, HI
SP Pacific Res Inst Informat Syst & Management, Univ Hawaii, Shidler Coll Business, Dept IT Management, IBM, Provalis Res, Int Soc Serv Innovat, Teradata, Univ Network
DE Natural Gas Networks; Gas-Electric Coupling; Optimal Power Flow
ID NETWORKS; OPTIMIZATION; SYSTEM; MODEL; FLOW
AB Many power systems in the United States and elsewhere are experiencing simultaneous increases of the gas-fired and renewable portions in the generation profile. Both contributions are sufficiently clean to replace retiring generators, which are mainly coal-fired. Moreover, pairing gas and renewables is advantageous because the former is flexible enough to mitigate the exogenous fluctuations of the latter. However, the resulting strong coupling of power systems and gas transmission networks through gas-fired generators also imposes risks. In particular, excessive fuel usage by gas-fired power plants may lead to violation of gas pressure limits and gas supply shortages. To provide a simple tool for assessing these risks, we develop a computational framework that characterizes regions of generator dispatch solutions that maintain gas system feasibility. The proposed algorithmic framework is modular-built through a coordinated execution of multiple generation scenarios within power and gas simulation modules. Monotone dependence of the gas pipeline pressure on the rates of gas withdrawals allows to establish and certify regions of feasibility/infeasibility in the space of the gas injections. The framework is validated against simulations of a highly detailed benchmark gas-electricity model. We conclude the manuscript with a discussion of possible applications of the results to power system operation procedures and regulatory practices.
C1 [Zlotnik, Anatoly] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
[Chertkov, Michael] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA.
[Turitsyn, Konstantin] MIT, Dept Mech Engn, Cambridge, MA 02139 USA.
RP Zlotnik, A (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
EM azlotnik@lanl.gov; chertkov@lanl.gov; turitsyn@mit.edu
RI Turitsyn, Konstantin/K-5978-2012;
OI Turitsyn, Konstantin/0000-0002-7997-8962; Chertkov,
Michael/0000-0002-6758-515X
NR 36
TC 0
Z9 0
U1 2
U2 3
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA
SN 1060-3425
BN 978-0-7695-5670-3
J9 P ANN HICSS
PY 2016
BP 2519
EP 2527
DI 10.1109/HICSS.2016.315
PG 9
WC Computer Science, Information Systems; Computer Science, Theory &
Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BE9EW
UT WOS:000377358202076
ER
PT S
AU Borraz-Sanchez, C
Bent, R
Backhaus, S
Blumsack, S
Hijazi, H
van Hentenryck, P
AF Borraz-Sanchez, Conrado
Bent, Russell
Backhaus, Scott
Blumsack, Seth
Hijazi, Hassan
van Hentenryck, Pascal
BE Bui, TX
Sprague, RH
TI Convex Optimization for Joint Expansion Planning of Natural Gas and
Power Systems
SO 2016 49TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 49th Hawaii International Conference on System Sciences (HICSS)
CY JAN 05-08, 2016
CL Koloa, HI
SP Pacific Res Inst Informat Syst & Management, Univ Hawaii, Shidler Coll Business, Dept IT Management, IBM, Provalis Res, Int Soc Serv Innovat, Teradata, Univ Network
AB Within the energy sector, two of the most tightly coupled systems are natural gas and electric power. The recent advent of cheap gas extraction technologies have only driven these systems more tightly together. Despite their interconnections, in many areas of the world these systems are operated and managed in isolation. This separation is due to a number of reasons and challenges, ranging from technological (problems involving connected systems are difficult to solve) to political and commercial (prevention of monopolies, lack of communication, market forces, etc.). However, this separation can lead to a number of undesirable outcomes, such as what the northeastern United States experienced during the winter of 2013/2014. In this paper, we develop approaches to address the technological reasons for separation. We consider the problem of expanding and designing coupled natural gas and electric power systems to meet increased coincident demand on both systems. Our approach utilizes recent advances in convex modeling of gas and power systems to develop a computationally tractable optimization formulation.
C1 [Borraz-Sanchez, Conrado; Bent, Russell; Backhaus, Scott] LANL, Los Alamos, NM 87544 USA.
[Blumsack, Seth] Penn State Univ, University Pk, PA 16802 USA.
[Hijazi, Hassan] NICTA, Sydney, NSW, Australia.
[van Hentenryck, Pascal] Univ Michigan, Ann Arbor, MI 48109 USA.
RP Borraz-Sanchez, C (reprint author), LANL, Los Alamos, NM 87544 USA.
EM conradob@lanl.gov; rbent@lanl.gov; backhaus@lanl.gov; sethb@psu.edu;
Hassan.Hijazi@nicta.com.au; pvanhent@umich.edu
OI Backhaus, Scott/0000-0002-0344-6791; Bent, Russell/0000-0002-7300-151X
NR 24
TC 0
Z9 0
U1 2
U2 3
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA
SN 1060-3425
BN 978-0-7695-5670-3
J9 P ANN HICSS
PY 2016
BP 2536
EP 2545
DI 10.1109/HICSS.2016.317
PG 10
WC Computer Science, Information Systems; Computer Science, Theory &
Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BE9EW
UT WOS:000377358202078
ER
PT S
AU Schlicher, BG
MacIntyre, LP
Abercrombie, RK
AF Schlicher, Bob G.
MacIntyre, Lawrence P.
Abercrombie, Robert K.
BE Bui, TX
Sprague, RH
TI Towards Reducing the Data Exfiltration Surface for the Insider Threat
SO 2016 49TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 49th Hawaii International Conference on System Sciences (HICSS)
CY JAN 05-08, 2016
CL Koloa, HI
SP Pacific Res Inst Informat Syst & Management, Univ Hawaii, Shidler Coll Business, Dept IT Management, IBM, Provalis Res, Int Soc Serv Innovat, Teradata, Univ Network
AB Unauthorized data exfiltrations from both insiders and outsiders are costly and damaging. Network communication resources can be used for transporting data illicitly out of the enterprise or cloud. Combined with built-in malware copying utilities, we define this set of tools as comprising the Data Exfiltration Surface (DXS). For securing valuable data, it is desirable to reduce the DXS and maintain controls on the egress points. Our approach is to host the data in a protected enclave that includes novel Software Data Diode (SDD) installed on a secured, border gateway. The SDD allows copying data into the enclave systems but denies data from being copied out. Simultaneously, it permits remote access with remote desktop and console applications. Our tests demonstrate that we are able to effectively reduce the DXS and we are able to protect data from being exfiltrated through the use of the SDD.
C1 [Schlicher, Bob G.; MacIntyre, Lawrence P.; Abercrombie, Robert K.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA.
RP Schlicher, BG (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA.
EM schlicherbg@ornl.gov; macintyrelp@ornl.gov; abercrombier@ornl.gov
OI Abercrombie, Robert/0000-0003-0949-4070
NR 28
TC 0
Z9 0
U1 0
U2 1
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA
SN 1060-3425
BN 978-0-7695-5670-3
J9 P ANN HICSS
PY 2016
BP 2749
EP 2758
DI 10.1109/HICSS.2016.345
PG 10
WC Computer Science, Information Systems; Computer Science, Theory &
Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BE9EW
UT WOS:000377358202106
ER
PT S
AU Marinovici, C
Kirkham, H
Widergren, S
AF Marinovici, Cristina
Kirkham, Harold
Widergren, Steve
BE Bui, TX
Sprague, RH
TI Influential Aspects of the Smart City
SO 2016 49TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 49th Hawaii International Conference on System Sciences (HICSS)
CY JAN 05-08, 2016
CL Koloa, HI
SP Pacific Res Inst Informat Syst & Management, Univ Hawaii, Shidler Coll Business, Dept IT Management, IBM, Provalis Res, Int Soc Serv Innovat, Teradata, Univ Network
AB Using millions of sensors in everyday objects, smart cities will generate petabytes of data, and it will be delivered to multiple users via networks. Multidisciplinary inter-operability is essential. We propose system engineering management, with multidisciplinary teams as an effective way to deliver real change. Their goal is to develop intelligent and integrated services through the use of digital technologies and open collaboration.
We also caution that the process cannot be entirely planned ahead of time, it must be allowed to evolve. New technology will change the game (where does a 3-D printer fit into a smart city?). Municipal planning means central planning - not known for its sensitivity to reality. A successful smart city will include lots of feedback mechanisms for the citizenry.
C1 [Marinovici, Cristina; Kirkham, Harold; Widergren, Steve] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Marinovici, C (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM cristina.marinovici@pnnl.gov; harold.kirkham@pnnl.gov;
steve.widergren@pnnl.gov
OI Marinovici, Cristina/0000-0003-3973-6579
NR 29
TC 0
Z9 0
U1 0
U2 0
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA
SN 1060-3425
BN 978-0-7695-5670-3
J9 P ANN HICSS
PY 2016
BP 4764
EP 4772
DI 10.1109/HICSS.2016.591
PG 9
WC Computer Science, Information Systems; Computer Science, Theory &
Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BE9EW
UT WOS:000377358204101
ER
PT S
AU Goldrich, LB
George, R
Linger, R
AF Goldrich, Luanne Burns
George, Richard
Linger, Rick
BE Bui, TX
Sprague, RH
TI Introduction: Cybersecurity and Software Assurance Minitrack
SO 2016 49TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 49th Hawaii International Conference on System Sciences (HICSS)
CY JAN 05-08, 2016
CL Koloa, HI
SP Pacific Res Inst Informat Syst & Management, Univ Hawaii, Shidler Coll Business, Dept IT Management, IBM, Provalis Res, Int Soc Serv Innovat, Teradata, Univ Network
C1 [Goldrich, Luanne Burns; George, Richard] Johns Hopkins Univ, Appl Phys Lab, 11100 Johns Hopkins Rd, Laurel, MD 20723 USA.
[Linger, Rick] Oak Ridge Natl Lab, Cyberspace Sci & Informat Intelligence, Oak Ridge, TN 37831 USA.
RP Goldrich, LB (reprint author), Johns Hopkins Univ, Appl Phys Lab, 11100 Johns Hopkins Rd, Laurel, MD 20723 USA.
EM luanne.burns@jhuapl.edu; rick.linger@gmail.gov
NR 0
TC 0
Z9 0
U1 0
U2 0
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA
SN 1060-3425
BN 978-0-7695-5670-3
J9 P ANN HICSS
PY 2016
BP 5507
EP 5507
DI 10.1109/HICSS.2016.680
PG 1
WC Computer Science, Information Systems; Computer Science, Theory &
Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BE9EW
UT WOS:000377358205067
ER
PT S
AU Risko, AJ
Goldrich, L
Jackson, N
Gatlin, R
Gattoni, B
Linger, R
AF Risko, A. J.
Goldrich, Luanne
Jackson, Nykia
Gatlin, Robert
Gattoni, Brian
Linger, Richard
BE Bui, TX
Sprague, RH
TI Using the eR&D Approach to Pilot Deployment and Assessment in DHS
SO 2016 49TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 49th Hawaii International Conference on System Sciences (HICSS)
CY JAN 05-08, 2016
CL Koloa, HI
SP Pacific Res Inst Informat Syst & Management, Univ Hawaii, Shidler Coll Business, Dept IT Management, IBM, Provalis Res, Int Soc Serv Innovat, Teradata, Univ Network
AB This paper describes the success of the Hyperion Tool's pilot deployment and assessment in a Department of Homeland Security's (DHS) cyber center using the embedded research and development (eR&D) methodology/approach detailed in [1]. The eR&D methodology ensures the eR&D Team is tightly coupled with operational stakeholders to seamlessly and continuously identify operational requirements from stakeholders, discover R&D projects that may apply to the requirements, filter the R&D projects to select the applicable R&D technologies, then integrate the selected technology into the operational environment. This pilot deployment and assessment served as a "proof of concept" of the eR&D approach by demonstrating a stakeholder's articulated requirements could be matched with newly developed technologies. Specifically, a DHS cyber center identified the need for a malware analysis tool that would automatically identify malware with little to no malware analyst interaction. The eR&D Team then took this requirement and discovered and filtered the Hyperion Tool as developed by Oak Ridge National Laboratory (ORNL) as a newly developed technology that could address this need and proposed a pilot deployment and assessment for integration into the DHS cyber center's workspaces. The eR&D process helped to close an operational gap by connecting the research and operational communities.
C1 [Risko, A. J.; Goldrich, Luanne; Jackson, Nykia] Johns Hopkins Univ, Appl Phys Lab, 11100 Johns Hopkins Rd, Laurel, MD 20723 USA.
[Gatlin, Robert; Gattoni, Brian] Dept Homeland Secur, 4601 Fairfax Dr, Arlington, VA 22203 USA.
[Linger, Richard] Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA.
RP Risko, AJ (reprint author), Johns Hopkins Univ, Appl Phys Lab, 11100 Johns Hopkins Rd, Laurel, MD 20723 USA.
EM aj.risko@jhuapl.edu; luanne.goldrich@jhuapl.edu;
nykia.jackson@jhuapl.edu; robert.gatlin@hq.dhs.gov;
brian.gattoni@hq.dhs.gov; lingerr@ornl.gov
NR 4
TC 0
Z9 0
U1 0
U2 0
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA
SN 1060-3425
BN 978-0-7695-5670-3
J9 P ANN HICSS
PY 2016
BP 5554
EP 5559
DI 10.1109/HICSS.2016.686
PG 6
WC Computer Science, Information Systems; Computer Science, Theory &
Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BE9EW
UT WOS:000377358205073
ER
PT S
AU Appavoo, K
Liu, XZ
Menon, V
Sfeir, MY
AF Appavoo, Kannatassen
Liu, Xiaoze
Menon, Vinod
Sfeir, Matthew Y.
BE Bui, TX
Sprague, RH
TI Room-Temperature Exciton Lasing In Ultrathin Film of Coupled
Nanocrystals
SO 2016 49TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 49th Hawaii International Conference on System Sciences (HICSS)
CY JAN 05-08, 2016
CL Koloa, HI
SP Pacific Res Inst Informat Syst & Management, Univ Hawaii, Shidler Coll Business, Dept IT Management, IBM, Provalis Res, Int Soc Serv Innovat, Teradata, Univ Network
AB We demonstrate exciton lasing in sub-wavelength coupled nanostructures at ultralow fluence threshold, as probed by femtosecond broadband emission and absorption spectroscopy. The complex spectrotemporal dynamics reveal for the first time an excitonic-to-electron-hole plasma lasing mechanism.
C1 [Appavoo, Kannatassen; Sfeir, Matthew Y.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Liu, Xiaoze; Menon, Vinod] CUNY City Coll, New York, NY 10031 USA.
RP Sfeir, MY (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
EM msfeir@bnl.gov
NR 4
TC 0
Z9 0
U1 0
U2 0
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA
SN 1060-3425
BN 978-0-7695-5670-3
J9 P ANN HICSS
PY 2016
PG 2
WC Computer Science, Information Systems; Computer Science, Theory &
Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BE9EW
UT WOS:000377358203077
ER
PT S
AU Kuznetsov, I
Filevich, J
Dong, F
Woolston, M
Chao, WL
Anderson, EH
Bernstein, ER
Crick, DC
Rocca, JJ
Menoni, CS
AF Kuznetsov, Ilya
Filevich, Jorge
Dong, Feng
Woolston, Mark
Chao, Weilun
Anderson, Erik H.
Bernstein, Elliot R.
Crick, Dean C.
Rocca, Jorge J.
Menoni, Carmen S.
BE Bui, TX
Sprague, RH
TI Nanoscale Composition Imaging by Extreme Ultraviolet Laser Ablation Mass
Spectrometry
SO 2016 49TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 49th Hawaii International Conference on System Sciences (HICSS)
CY JAN 05-08, 2016
CL Koloa, HI
SP Pacific Res Inst Informat Syst & Management, Univ Hawaii, Shidler Coll Business, Dept IT Management, IBM, Provalis Res, Int Soc Serv Innovat, Teradata, Univ Network
ID X-RAY LASER
AB The first nano-scale 3-dimensional composition imaging is demonstrated. EUV laser ablation enables composition maps with 75 nm lateral, 20 nm depth resolution, and 0.01 amol sensitivity. 3D composition images of a single micro-organism were obtained.
C1 [Kuznetsov, Ilya; Filevich, Jorge; Dong, Feng; Woolston, Mark; Chao, Weilun; Anderson, Erik H.; Bernstein, Elliot R.; Rocca, Jorge J.; Menoni, Carmen S.] Colorado State Univ, Ctr Extreme Ultraviolet Sci & Technol, Ft Collins, CO 80523 USA.
[Kuznetsov, Ilya; Filevich, Jorge; Woolston, Mark; Rocca, Jorge J.; Menoni, Carmen S.] Colorado State Univ, Dept Elect & Comp Engn, Ft Collins, CO 80523 USA.
[Dong, Feng; Bernstein, Elliot R.; Menoni, Carmen S.] Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA.
[Chao, Weilun; Anderson, Erik H.] Lawrence Berkeley Lab, Ctr Xray Opt, Berkeley, CA USA.
[Crick, Dean C.] Colorado State Univ, Dept Microbiol Immunol & Pathol, Ft Collins, CO 80523 USA.
[Rocca, Jorge J.] Colorado State Univ, Dept Phys, Ft Collins, CO 80523 USA.
RP Menoni, CS (reprint author), Colorado State Univ, Ctr Extreme Ultraviolet Sci & Technol, Ft Collins, CO 80523 USA.
EM Carmen.Menoni@colostate.edu
NR 3
TC 0
Z9 0
U1 5
U2 5
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA
SN 1060-3425
BN 978-0-7695-5670-3
J9 P ANN HICSS
PY 2016
PG 2
WC Computer Science, Information Systems; Computer Science, Theory &
Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BE9EW
UT WOS:000377358203070
ER
PT S
AU Liu, S
Li, CY
Figiel, J
Brener, I
Brueck, SRJ
Wang, GT
AF Liu, Sheng
Li, Changyi
Figiel, Jeffrey
Brener, Igal
Brueck, Steven R. J.
Wang, George T.
BE Bui, TX
Sprague, RH
TI Wide and reversible tuning of an individual nanowire laser using
hydrostatic pressure
SO 2016 49TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 49th Hawaii International Conference on System Sciences (HICSS)
CY JAN 05-08, 2016
CL Koloa, HI
SP Pacific Res Inst Informat Syst & Management, Univ Hawaii, Shidler Coll Business, Dept IT Management, IBM, Provalis Res, Int Soc Serv Innovat, Teradata, Univ Network
AB We report wide, continuous, and reversible tunable lasing between 367-337nm from single GaN nanowires by applying hydrostatic pressure up to similar to 7GPa. The pressure coefficients observed are 40% larger compared with bulk GaN or GaN microstructures.
C1 [Liu, Sheng; Figiel, Jeffrey; Brener, Igal; Wang, George T.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Liu, Sheng; Brener, Igal] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA.
[Li, Changyi; Brueck, Steven R. J.] Univ New Mexico, Ctr High Technol Mat, Albuquerque, NM 87106 USA.
RP Liu, S (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM snliu@sandia.gov
NR 3
TC 0
Z9 0
U1 0
U2 0
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA
SN 1060-3425
BN 978-0-7695-5670-3
J9 P ANN HICSS
PY 2016
PG 2
WC Computer Science, Information Systems; Computer Science, Theory &
Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA BE9EW
UT WOS:000377358203025
ER
PT S
AU Albright, BJ
Montgomery, DS
Yin, L
Kline, JL
AF Albright, B. J.
Montgomery, David S.
Yin, L.
Kline, J. L.
GP IOP
TI A Simple Model of Hohlraum Power Balance and Mitigation of SRS
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
ID DECAY INSTABILITY; WAVE
AB A simple energy balance model has been obtained for laser-plasma heating in indirect drive hohlraum plasma that allows rapid temperature scaling and evolution with parameters such as plasma density and composition. This model enables assessment of the effects on plasma temperature of, e.g., adding high-Z dopant to the gas fill or magnetic fields.
C1 [Albright, B. J.; Montgomery, David S.; Yin, L.; Kline, J. L.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RP Albright, BJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM balbright@lanl.gov
OI Albright, Brian/0000-0002-7789-6525; Yin, Lin/0000-0002-8978-5320;
Kline, John/0000-0002-2271-9919; Montgomery, David/0000-0002-2355-6242
NR 20
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 2016
VL 688
AR 012002
DI 10.1088/1742-6596/688/1/012002
PG 4
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100002
ER
PT S
AU Chen, H
Bonlie, J
Cauble, R
Fiuza, F
Goldstein, W
Hazi, A
Keane, C
Link, A
Marley, E
Nagel, SR
Park, J
Shepherd, R
Williams, GJ
Meyerhofer, DD
Fiksel, G
Barnak, D
Chang, PY
Nakai, M
Arikawa, Y
Azechi, H
Fujioka, S
Kojima, S
Miyanaga, N
Morita, T
Nagai, T
Nishimura, H
Ozaki, T
Sakawa, Y
Takabe, H
Zhang, Z
Kerr, S
Fedosejevs, R
Sentoku, Y
Hill, MP
Hoarty, DJ
Hobbs, LMR
James, SF
AF Chen, Hui
Bonlie, J.
Cauble, R.
Fiuza, F.
Goldstein, W.
Hazi, A.
Keane, C.
Link, A.
Marley, E.
Nagel, S. R.
Park, J.
Shepherd, R.
Williams, G. J.
Meyerhofer, D. D.
Fiksel, G.
Barnak, D.
Chang, P. Y.
Nakai, M.
Arikawa, Y.
Azechi, H.
Fujioka, S.
Kojima, S.
Miyanaga, N.
Morita, T.
Nagai, T.
Nishimura, H.
Ozaki, T.
Sakawa, Y.
Takabe, H.
Zhang, Z.
Kerr, S.
Fedosejevs, R.
Sentoku, Y.
Hill, M. P.
Hoarty, D. J.
Hobbs, L. M. R.
James, S. F.
GP IOP
TI Progress Towards a Laser Produced Relativistic Electron-Positron Pair
Plasma
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
ID PARTICLE-ACCELERATION; COLLISIONLESS SHOCKS; ASTROPHYSICAL SHOCKS
AB A set of experiments has been performed exploring unique characteristics of pair jets and plasmas at several energetic short-pulse laser facilities including Titan at Livermore and OMEGA EP in Rochester, as well as the Osaka LFEX and AWE Orion lasers. New results are summarized, including positron beam emittance, scaling of pair production vs. laser energy, and initial results on the pair jet collimation using electromagnetic fields.
C1 [Chen, Hui; Bonlie, J.; Cauble, R.; Fiuza, F.; Goldstein, W.; Hazi, A.; Keane, C.; Link, A.; Marley, E.; Nagel, S. R.; Park, J.; Shepherd, R.; Williams, G. J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
[Meyerhofer, D. D.; Fiksel, G.; Barnak, D.; Chang, P. Y.] Univ Rochester, LLE, Rochester, NY 14623 USA.
[Nakai, M.; Arikawa, Y.; Azechi, H.; Fujioka, S.; Kojima, S.; Miyanaga, N.; Morita, T.; Nagai, T.; Nishimura, H.; Ozaki, T.; Sakawa, Y.; Takabe, H.; Zhang, Z.] Osaka Univ, ILE, 2-6 Yamadaoka, Suita, Osaka 5650871, Japan.
[Kerr, S.; Fedosejevs, R.] Univ Alberta, Edmonton, AB T6G 2M7, Canada.
[Sentoku, Y.] Univ Nevada, Reno, NV 89557 USA.
[Hill, M. P.; Hoarty, D. J.; Hobbs, L. M. R.; James, S. F.] AWE Plc, Directorate Sci & Technol, Reading RG7 4PR, Berks, England.
RP Chen, H (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
EM chen33@llnl.gov
RI Sentoku, Yasuhiko/P-5419-2014; Sakawa, Youichi/J-5707-2016;
OI Sakawa, Youichi/0000-0003-4165-1048; Kerr, Shaun/0000-0003-4822-564X
NR 24
TC 0
Z9 0
U1 4
U2 8
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 688
AR 012010
DI 10.1088/1742-6596/688/1/012010
PG 4
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100010
ER
PT S
AU Clark, DS
Eder, DC
Haan, SW
Hammel, BA
Hinkel, DE
Jones, OS
Marinak, MM
Milovich, JL
Patel, PK
Salmonson, JD
Sepke, SM
Thomas, CA
Town, RPJ
AF Clark, D. S.
Eder, D. C.
Haan, S. W.
Hammel, B. A.
Hinkel, D. E.
Jones, O. S.
Marinak, M. M.
Milovich, J. L.
Patel, P. K.
Salmonson, J. D.
Sepke, S. M.
Thomas, C. A.
Town, R. P. J.
GP IOP
TI Progress in modelling ignition implosion experiments on the National
Ignition Facility
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
AB The recently completed National Ignition Campaign on the National Ignition Facility showed significant discrepancies between 2-D simulations predictions of implosion performance and experimentally measured performance, particularly in thermonuclear yield. This discrepancy between simulation and observation persisted despite concerted efforts to include all of the known sources of implosion degradation within a reasonable 2-D simulation model, e.g., using measured surface imperfections and radiation drives adjusted to reproduce observed implosion trajectories. Since this simulation study was undertaken, more recent experiments have brought to light several effects that can significantly impact implosion performance, in particular large inflight long-wavelength shell asymmetries and larger than expected perturbations seeded by the capsule support tent. These effects are now being included in the simulation model and show improved agreement with observation. In addition, full-capsule 3-D simulations with resolution adequate to model the dominant unstable hydrodynamic modes are being run and show further improvements in agreement with experiment.
C1 [Clark, D. S.; Eder, D. C.; Haan, S. W.; Hammel, B. A.; Hinkel, D. E.; Jones, O. S.; Marinak, M. M.; Milovich, J. L.; Patel, P. K.; Salmonson, J. D.; Sepke, S. M.; Thomas, C. A.; Town, R. P. J.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
RP Clark, DS (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
EM clark90@llnl.gov
RI Patel, Pravesh/E-1400-2011
NR 10
TC 0
Z9 0
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 688
AR 012011
DI 10.1088/1742-6596/688/1/012011
PG 4
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100011
ER
PT S
AU Dewald, EL
Tommasini, R
Mackinnon, A
MacPhee, A
Meezan, N
Olson, R
Hicks, D
LePape, S
Izumi, N
Fournier, K
Barrios, MA
Ross, S
Pak, A
Doppner, T
Kalantar, D
Opachich, K
Rygg, R
Bradley, D
Bell, P
Hamza, A
Dzenitis, B
Landen, OL
MacGowan, B
LaFortune, K
Widmayer, C
Van Wonterghem, B
Kilkenny, J
Edwards, MJ
Atherton, J
Moses, EI
AF Dewald, E. L.
Tommasini, R.
Mackinnon, A.
MacPhee, A.
Meezan, N.
Olson, R.
Hicks, D.
LePape, S.
Izumi, N.
Fournier, K.
Barrios, M. A.
Ross, S.
Pak, A.
Doppner, T.
Kalantar, D.
Opachich, K.
Rygg, R.
Bradley, D.
Bell, P.
Hamza, A.
Dzenitis, B.
Landen, O. L.
MacGowan, B.
LaFortune, K.
Widmayer, C.
Van Wonterghem, B.
Kilkenny, J.
Edwards, M. J.
Atherton, J.
Moses, E. I.
GP IOP
TI Capsule Ablator Inflight Performance Measurements Via Streaked
Radiography Of ICF Implosions On The NIF
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
AB Streaked 1-dimensional (slit imaging) radiography of 1.1 mm radius capsules in ignition hohlraums was recently introduced on the National Ignition Facility (NIF) and gives an inflight continuous record of capsule ablator implosion velocities, shell thickness and remaining mass in the last 3-5 ns before peak implosion time. The high quality data delivers good accuracy in implosion metrics that meets our requirements for ignition and agrees with recently introduced 2-dimensional pinhole radiography. Calculations match measured trajectory across various capsule designs and laser drives when the peak laser power is reduced by 20%. Furthermore, calculations matching measured trajectories give also good agreement in ablator shell thickness and remaining mass.
C1 [Dewald, E. L.; Tommasini, R.; Mackinnon, A.; MacPhee, A.; Meezan, N.; Hicks, D.; LePape, S.; Izumi, N.; Fournier, K.; Barrios, M. A.; Ross, S.; Pak, A.; Doppner, T.; Kalantar, D.; Opachich, K.; Rygg, R.; Bradley, D.; Bell, P.; Hamza, A.; Dzenitis, B.; Landen, O. L.; MacGowan, B.; LaFortune, K.; Widmayer, C.; Van Wonterghem, B.; Kilkenny, J.; Edwards, M. J.; Atherton, J.; Moses, E. I.] Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA.
[Olson, R.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RP Dewald, EL (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA.
EM dewald3@llnl.gov
RI IZUMI, Nobuhiko/J-8487-2016; Tommasini, Riccardo/A-8214-2009;
OI IZUMI, Nobuhiko/0000-0003-1114-597X; Tommasini,
Riccardo/0000-0002-1070-3565; Hicks, Damien/0000-0001-8322-9983
NR 9
TC 2
Z9 2
U1 1
U2 5
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 688
AR 012014
DI 10.1088/1742-6596/688/1/012014
PG 4
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100014
ER
PT S
AU Drake, RP
Keiter, PA
Kuranz, CC
Malamud, G
Manuel, M
Di Stefano, CA
Gamboa, EJ
Krauland, CM
MacDonald, MJ
Wan, WC
Young, RP
Montgomery, DS
Stoeckl, C
Froula, DH
AF Drake, R. P.
Keiter, P. A.
Kuranz, C. C.
Malamud, G.
Manuel, M.
Di Stefano, C. A.
Gamboa, E. J.
Krauland, C. M.
MacDonald, M. J.
Wan, W. C.
Young, R. P.
Montgomery, D. S.
Stoeckl, C.
Froula, D. H.
GP IOP
TI Study of shock waves and related phenomena motivated by astrophysics
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
ID OMEGA-EP; DESIGN
AB This paper discusses the recent research in High-Energy-Density Physics at our Center. Our work in complex hydrodynamics is now focused on mode coupling in the Richtmyer-Meshkov process and on the supersonic Kelvin-Helmholtz instability. These processes are believed to occur in a wide range of astrophysical circumstances. In radiation hydrodynamics, we are studying radiative reverse shocks relevant to cataclysmic variable stars. Our work on magnetized flows seeks to produce magnetized jets and study their interactions. We build the targets for all these experiments, and simulate them using our CRASH code. We also conduct diagnostic research, focused primarily on imaging x-ray spectroscopy and its applications to scattering and fluorescence.
C1 [Drake, R. P.; Keiter, P. A.; Kuranz, C. C.; Malamud, G.; Manuel, M.; Di Stefano, C. A.; Gamboa, E. J.; Krauland, C. M.; MacDonald, M. J.; Wan, W. C.; Young, R. P.] Univ Michigan, Ctr Laser Expt Astrophys Res, Ann Arbor, MI 48109 USA.
[Malamud, G.] Nucl Res Ctr Negev, Dept Phys, Negev, Israel.
[Montgomery, D. S.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Stoeckl, C.; Froula, D. H.] Univ Rochester, Lab Laser Energet, Rochester, NY USA.
RP Drake, RP (reprint author), Univ Michigan, Ctr Laser Expt Astrophys Res, Ann Arbor, MI 48109 USA.
EM rpdrake@umich.edu
RI Drake, R Paul/I-9218-2012;
OI Drake, R Paul/0000-0002-5450-9844; MacDonald,
Michael/0000-0002-6295-6978
NR 17
TC 0
Z9 0
U1 6
U2 10
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 688
AR 012016
DI 10.1088/1742-6596/688/1/012016
PG 4
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100016
ER
PT S
AU Edwards, MJ
AF Edwards, M. J.
CA Ignition Team
GP IOP
TI The Ignition Physics Campaign on NIF: Status and Progress
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
AB We have made significant progress in ICF implosion performance on NIF since the 2011 IFSA. Employing a 3-shock, high adiabat CH ("High-Foot") design, total neutron yields have increased 10-fold to 6.3 x10(15) (a yield of similar to 17 kJ, which is greater than the energy invested in the DT fuel similar to 12kJ). At that level, the yield from alpha self-heating is essentially equivalent to the compression yield, indicating that we are close to the alpha self-heating regime. Low adiabat, 4-shock High Density Carbon (HDC) capsules have been imploded in conventional gas-filled hohlraums, and employing a 6 ns, 2-shock pulse, HDC capsules were imploded in near-vacuum hohlraums with overall coupling similar to 98%. Both the 4-and 2-shock HDC capsules had very low mix and high yield over simulated performance. Rugby holraums have demonstrated uniform x-ray drive with minimal Cross Beam Energy Transfer (CBET), and we have made good progress in measuring and modelling growth of ablation front hydro instabilities.
C1 [Edwards, M. J.; Ignition Team] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
RP Edwards, MJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
EM edwards39@llnl.gov
NR 21
TC 0
Z9 0
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 2016
VL 688
AR 012017
DI 10.1088/1742-6596/688/1/012017
PG 7
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100017
ER
PT S
AU Flippo, KA
Doss, FW
Devolder, B
Fincke, JR
Loomis, EN
Kline, JL
Welser-Sherrill, L
AF Flippo, K. A.
Doss, F. W.
Devolder, B.
Fincke, J. R.
Loomis, E. N.
Kline, J. L.
Welser-Sherrill, L.
GP IOP
TI Investigating Turbulent Mix in HEDLP Experiments
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
AB Mix is an important issue in High Energy Density Laboratory Plasmas (HEDLP), specifically Inertial Confinement Fusion (ICF) implosions. In ICF, shock waves traverse fuel capsule defects and material interfaces, and due to hydrodynamic instabilities transitioning into turbulence, these shocks can initiate mix between shell and fuel, degrading yield. To this end, a series of laser-driven mix experiments has been designed for the OMEGA and NIF laser facilities to investigate the turbulent mixing of materials proceeded by reshock and shear, which initiates Richtmyer-Meshkov and\or Kelvin-Helmholtz instabilities on a tracer layer. The experiments are designed to understand if the Besnard-Harlow-Rauenzahn (BHR) mix model that has been implemented in LANL's RAGE hydrodynamics code has coefficients that are properly determined for an HEDLP environment.
C1 [Flippo, K. A.; Doss, F. W.; Devolder, B.; Fincke, J. R.; Loomis, E. N.; Kline, J. L.; Welser-Sherrill, L.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM USA.
RP Flippo, KA (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM USA.
EM kflippo@lanl.gov
NR 11
TC 2
Z9 2
U1 0
U2 4
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 688
AR 012018
DI 10.1088/1742-6596/688/1/012018
PG 5
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100018
ER
PT S
AU Hammer, J
AF Hammer, J.
GP IOP
TI Alternative Approaches to High Energy Density Fusion
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
ID PHYSICS; GAIN
AB This paper explores selected approaches to High Energy Density (HED) fusion, beginning with discussion of ignition requirements at the National Ignition Facility (NIF). The needed improvements to achieve ignition are closely tied to the ability to concentrate energy in the implosion, manifested in the stagnation pressure, P-stag. The energy that must be assembled in the imploded state to ignite varies roughly as P-stag(-2), so among other requirements, there is a premium on reaching higher P-stag to achieve ignition with the available laser energy. The U.S. inertial confinement fusion program (ICF) is pursuing higher P-stag on NIF through improvements to capsule stability and symmetry. One can argue that recent experiments place an approximate upper bound on the ultimate ignition energy requirement. Scaling the implosions consistently in spatial, temporal and energy scales shows that implosions of the demonstrated quality ignite robustly at 9-15 times the current energy of NIF. While lasers are unlikely to reach that bounding energy, it appears that pulsed-power sources could plausibly do so, giving a range of paths forward for ICF depending on success in improving energy concentration. In this paper, I show the scaling arguments then discuss topics from my own involvement in HED fusion. The recent Viewfactor experiments at NIF have shed light on both the observed capsule drive deficit and errors in the detailed modelling of hohlraums. The latter could be important factors in the inability to achieve the needed symmetry and energy concentration. The paper then recounts earlier work in Fast Ignition and the uses of pulsed-power for HED and fusion applications. It concludes with a description of a method for improving pulsed-power driven hohlraums that could potentially provide a factor of 10 in energy at NIF-like drive conditions and reach the energy bound for indirect drive ICF.
C1 [Hammer, J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Hammer, J (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM hammer2@llnl.gov
NR 12
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 2016
VL 688
AR 012025
DI 10.1088/1742-6596/688/1/012025
PG 6
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100025
ER
PT S
AU Hinkel, DE
Callahan, DA
Moody, JD
Amendt, PA
Lasinski, BF
MacGowan, BJ
Meeker, D
Michel, PA
Ralph, J
Rosen, MD
Ross, JS
Schneider, MB
Storm, E
Strozzi, DJ
Williams, EA
AF Hinkel, D. E.
Callahan, D. A.
Moody, J. D.
Amendt, P. A.
Lasinski, B. F.
MacGowan, B. J.
Meeker, D.
Michel, P. A.
Ralph, J.
Rosen, M. D.
Ross, J. S.
Schneider, M. B.
Storm, E.
Strozzi, D. J.
Williams, E. A.
GP IOP
TI Laser-Plasma Interactions in Drive Campaign targets on the National
Ignition Facility
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
AB The Drive campaign [D A Callahan et al., this conference] on the National Ignition Facility (NIF) laser [E. I. Moses, R. N. Boyd, B. A. Remington, C. J. Keane, R. Al-Ayat, Phys. Plasmas 16, 041006 (2009] has the focused goal of understanding and optimizing the hohlraum for ignition. Both the temperature and symmetry of the radiation drive depend on laser and hohlraum characteristics. The drive temperature depends on the coupling of laser energy to the hohlraum, and the symmetry of the drive depends on beam-to-beam interactions that result in energy transfer [P. A. Michel, S. H. Glenzer, L. Divol, et al., Phys. Plasmas 17, 056305 (2010).] within the hohlraum. To this end, hohlraums are being fielded where shape (rugby vs. cylindrical hohlraums), gas fill composition (neopentane at room temperature vs. cryogenic helium), and gas fill density (increase of similar to 150%) are independently changed. Cylindrical hohlraums with higher gas fill density show improved inner beam propagation, as should rugby hohlraums, because of the larger radius over the capsule (7 mm vs. 5.75 mm in a cylindrical hohlraum). Energy coupling improves in room temperature neopentane targets, as well as in hohlraums at higher gas fill density. In addition cross-beam energy transfer is being addressed directly by using targets that mock up one end of a hohlraum, but allow observation of the laser beam uniformity after energy transfer. Ideas such as splitting quads into "doublets" by re-pointing the right and left half of quads are also being pursued. LPI results of the Drive campaign will be summarized, and analyses of future directions presented.
C1 [Hinkel, D. E.; Callahan, D. A.; Moody, J. D.; Amendt, P. A.; Lasinski, B. F.; MacGowan, B. J.; Meeker, D.; Michel, P. A.; Ralph, J.; Rosen, M. D.; Ross, J. S.; Schneider, M. B.; Storm, E.; Strozzi, D. J.; Williams, E. A.] Lawrence Livermore Natl Lab, LLNL CONF 646457, Livermore, CA 94550 USA.
RP Hinkel, DE (reprint author), Lawrence Livermore Natl Lab, LLNL CONF 646457, Livermore, CA 94550 USA.
EM hinkel1@llnl.gov
NR 5
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 2016
VL 688
AR 012031
DI 10.1088/1742-6596/688/1/012031
PG 4
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100031
ER
PT S
AU Hoarty, DJ
Allan, P
James, SF
Brown, CRD
Hobbs, LMR
Hill, MP
Harris, JWO
Morton, J
Brookes, MG
Shepherd, R
Dunn, J
Chen, H
Von Marley, E
Beiersdorfer, P
Chung, HK
Lee, RW
Brown, G
Emig, J
AF Hoarty, D. J.
Allan, P.
James, S. F.
Brown, C. R. D.
Hobbs, L. M. R.
Hill, M. P.
Harris, J. W. O.
Morton, J.
Brookes, M. G.
Shepherd, R.
Dunn, J.
Chen, H.
Von Marley, E.
Beiersdorfer, P.
Chung, H. K.
Lee, R. W.
Brown, G.
Emig, J.
GP IOP
TI The first data from the Orion laser: measurements of the spectrum of hot
dense aluminium
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
ID PLASMA
AB The newly commissioned Orion laser system has been used to study dense plasmas created by a combination of short pulse laser heating and compression by laser driven shocks. Thus the plasma density was systematically varied between 1 and 10g/cc by using aluminium samples buried in plastic foils or diamond sheets. The aluminium was heated to electron temperatures between 500eV and 700eV allowing the plasma conditions to be diagnosed by K-shell emission spectroscopy. The K-shell spectra show the effect of the ionization potential depression as a function of density via the delocalization of n=3 levels and disappearance of n=3 transitions in He-like and H-like aluminium. The data are compared to simulated spectra, which account for the change in the ionization potential by the commonly used Stewart and Pyatt prescription; a simple ion sphere model and an alternative due to Ecker and Kroll suggested by recent X-ray free-electron laser experiments. The experimental data are in reasonable agreement with the model of Stewart and Pyatt, but are in better agreement with a simple ion sphere model. The data indicate that the Ecker and Kroll model overestimates substantially the ionization potential depression in this regime.
C1 [Hoarty, D. J.; Allan, P.; James, S. F.; Brown, C. R. D.; Hobbs, L. M. R.; Hill, M. P.; Harris, J. W. O.; Morton, J.; Brookes, M. G.] AWE Plc, Directorate Res & Appl Sci, Reading RG7 4PR, Berks, England.
[Shepherd, R.; Dunn, J.; Chen, H.; Von Marley, E.; Beiersdorfer, P.] Lawrence Livermore Natl Lab, 7000 Eas Ave, Livermore, CA 94550 USA.
[Chung, H. K.; Brown, G.; Emig, J.] IAEA, Nucl Data Nucl Data Sect, Div Phys & Chem Sci, POB 100, A-1400 Vienna, Austria.
[Lee, R. W.] Univ Calif Berkeley, Inst Mat Dynam Extreme Condit, Berkeley, CA 94720 USA.
RP Hoarty, DJ (reprint author), AWE Plc, Directorate Res & Appl Sci, Reading RG7 4PR, Berks, England.
EM David.Hoarty@awe.co.uk
OI Hill, Matthew/0000-0002-0307-0624
NR 12
TC 0
Z9 0
U1 5
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 2016
VL 688
AR 012032
DI 10.1088/1742-6596/688/1/012032
PG 6
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100032
ER
PT S
AU Jones, O
Rygg, R
Tomasini, R
Eder, D
Kritcher, A
Milovich, J
Peterson, L
Thomas, C
Barrios, M
Benedetti, R
Doeppner, T
Ma, T
Nagel, S
Pak, A
Field, J
Izumi, N
Glenn, S
Town, R
Bradley, D
AF Jones, O.
Rygg, R.
Tomasini, R.
Eder, D.
Kritcher, A.
Milovich, J.
Peterson, L.
Thomas, C.
Barrios, M.
Benedetti, R.
Doeppner, T.
Ma, T.
Nagel, S.
Pak, A.
Field, J.
Izumi, N.
Glenn, S.
Town, R.
Bradley, D.
GP IOP
TI A new symmetry model for hohlraum-driven capsule implosion experiments
on the NIF
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
AB We have developed a new model for predicting the time-dependent radiation drive asymmetry in laser-heated hohlraums. The model consists of integrated Hydra capsule-hohlraum calculations coupled to a separate model for calculating the crossbeam energy transfer between the inner and outer cones of the National Ignition Facility (NIF) indirect drive configuration. The time-dependent crossbeam transfer model parameters were adjusted in order to best match the P2 component of the shape of the inflight shell inferred from backlit radiographs of the capsule taken when the shell was at a radius of 150-250 um. The adjusted model correctly predicts the observed inflight P2 and P4 components of the shape of the inflight shell, and also the P2 component of the shape of the hotspot inferred from x-ray self-emission images at the time of peak emission. It also correctly captures the scaling of the inflight P4 as the hohlraum length is varied. We then applied the newly benchmarked model to quantify the improved symmetry of the N130331 layered deuterium-tritium (DT) experiment in a re-optimized longer hohlraum.
C1 [Jones, O.; Rygg, R.; Tomasini, R.; Eder, D.; Kritcher, A.; Milovich, J.; Peterson, L.; Thomas, C.; Barrios, M.; Benedetti, R.; Doeppner, T.; Ma, T.; Nagel, S.; Pak, A.; Field, J.; Izumi, N.; Glenn, S.; Town, R.; Bradley, D.] Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA.
RP Jones, O (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA.
EM Jones96@llnl.gov
RI IZUMI, Nobuhiko/J-8487-2016
OI IZUMI, Nobuhiko/0000-0003-1114-597X
NR 8
TC 1
Z9 1
U1 0
U2 4
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 688
AR 012042
DI 10.1088/1742-6596/688/1/012042
PG 4
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100042
ER
PT S
AU Kilkenny, JD
Caggiano, JA
Hatarik, R
Knauer, JP
Sayre, DB
Spears, BK
Weber, SV
Yeamans, CB
Cerjan, CJ
Divol, L
Eckart, MJ
Glebov, VY
Herrmann, HW
Le Pape, S
Munro, DH
Grim, GP
Jones, OS
Berzak-Hopkins, L
Gatu-Johnson, M
Mackinnon, AJ
Meezan, NB
Casey, DT
Frenje, JA
Mcnaney, JM
Petrasso, R
Rinderknecht, H
Stoeffl, W
Zylstra, AB
AF Kilkenny, J. D.
Caggiano, J. A.
Hatarik, R.
Knauer, J. P.
Sayre, D. B.
Spears, B. K.
Weber, S. V.
Yeamans, C. B.
Cerjan, C. J.
Divol, L.
Eckart, M. J.
Glebov, V. Yu
Herrmann, H. W.
Le Pape, S.
Munro, D. H.
Grim, G. P.
Jones, O. S.
Berzak-Hopkins, L.
Gatu-Johnson, M.
Mackinnon, A. J.
Meezan, N. B.
Casey, D. T.
Frenje, J. A.
Mcnaney, J. M.
Petrasso, R.
Rinderknecht, H.
Stoeffl, W.
Zylstra, A. B.
GP IOP
TI Understanding the stagnation and burn of implosions on NIF
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
ID RAYLEIGH-TAYLOR INSTABILITY; SIMULATION
AB An improved the set of nuclear diagnostics on NIF measures the properties of the stagnation plasma of implosions, including the drift velocity, areal density (rho r) anisotropy and carbon rho r of the compressed core. Two types of deuterium-tritium (DT) gas filled targets are imploded by shaped x-ray pulses, producing stagnated and burning DT cores of radial convergence (C-r) similar to 5 or similar to 20. Comparison with two-dimensional modeling with inner and outer surface mix shows good agreement with nuclear measurements.
C1 [Caggiano, J. A.; Hatarik, R.; Sayre, D. B.; Spears, B. K.; Weber, S. V.; Yeamans, C. B.; Cerjan, C. J.; Divol, L.; Eckart, M. J.; Le Pape, S.; Munro, D. H.; Jones, O. S.; Berzak-Hopkins, L.; Mackinnon, A. J.; Meezan, N. B.; Casey, D. T.; Mcnaney, J. M.; Stoeffl, W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Knauer, J. P.; Glebov, V. Yu] Univ Rochester, Laser Energet Lab, 250 E River Rd, Rochester, NY 14623 USA.
[Herrmann, H. W.; Grim, G. P.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[Gatu-Johnson, M.; Frenje, J. A.; Petrasso, R.; Rinderknecht, H.; Zylstra, A. B.] MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
[Kilkenny, J. D.] Gen Atom, San Diego, CA 92186 USA.
RP Kilkenny, JD (reprint author), Gen Atom, San Diego, CA 92186 USA.
EM kilkenny@fusion.gat.com
NR 15
TC 1
Z9 1
U1 4
U2 8
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 688
AR 012048
DI 10.1088/1742-6596/688/1/012048
PG 4
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100048
ER
PT S
AU Koniges, A
Liu, WY
Lidia, S
Schenkel, T
Barnard, J
Friedman, A
Eder, D
Fisher, A
Masters, N
AF Koniges, Alice
Liu, Wangyi
Lidia, Steven
Schenkel, Thomas
Barnard, John
Friedman, Alex
Eder, David
Fisher, Aaron
Masters, Nathan
GP IOP
TI Numerical Modeling of Complex Targets for High-Energy-Density
Experiments with Ion Beams and other Drivers
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
ID ALE; AMR
AB We explore the simulation challenges and requirements for experiments planned on facilities such as the NDCX-II ion accelerator at LBNL, currently undergoing commissioning. Hydrodynamic modeling of NDCX-II experiments include certain lower temperature effects, e.g., surface tension and target fragmentation, that are not generally present in extreme high-energy laser facility experiments, where targets are completely vaporized in an extremely short period of time. Target designs proposed for NDCX-II range from metal foils of order one micron thick (thin targets) to metallic foam targets several tens of microns thick (thick targets). These high-energy-density experiments allow for the study of fracture as well as the process of bubble and droplet formation. We incorporate these physics effects into a code called ALE-AMR that uses a combination of Arbitrary Lagrangian Eulerian hydrodynamics and Adaptive Mesh Refinement. Inclusion of certain effects becomes tricky as we must deal with non-orthogonal meshes of various levels of refinement in three dimensions. A surface tension model used for droplet dynamics is implemented in ALE-AMR using curvature calculated from volume fractions. Thick foam target experiments provide information on how ion beam induced shock waves couple into kinetic energy of fluid flow. Although NDCX-II is not fully commissioned, experiments are being conducted that explore material defect production and dynamics.
C1 [Koniges, Alice; Liu, Wangyi; Lidia, Steven; Schenkel, Thomas] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Barnard, John; Friedman, Alex; Eder, David; Fisher, Aaron; Masters, Nathan] Lawrence Livermore Natl Lab, Berkeley, CA USA.
RP Koniges, A (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM aekoniges@lbl.gov
NR 6
TC 0
Z9 0
U1 0
U2 2
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 688
AR 012053
DI 10.1088/1742-6596/688/1/012053
PG 4
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100053
ER
PT S
AU Kritcher, AL
Doeppner, T
Swift, D
Hawreliak, J
Nilsen, J
Hammer, J
Bachmann, B
Collins, G
Landen, O
Keane, C
Glenzer, S
Rothman, S
Chapman, D
Kraus, D
Falcone, RW
AF Kritcher, A. L.
Doeppner, T.
Swift, D.
Hawreliak, J.
Nilsen, J.
Hammer, J.
Bachmann, B.
Collins, G.
Landen, O.
Keane, C.
Glenzer, S.
Rothman, S.
Chapman, D.
Kraus, D.
Falcone, R. W.
GP IOP
TI Shock Hugoniot measurements of CH at Gbar pressures at the NIF
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
ID NATIONAL IGNITION FACILITY; MASS-RADIUS RELATIONSHIPS; RAY THOMSON
SCATTERING; EXOPLANETS
AB Laboratory measurements of the shock Hugoniot at high pressure, exceeding several hundred Mbar, are of great importance in the understanding and accurate modeling of matter at extreme conditions. In this work we present a platform to measure the material properties, specifically the single shock Hugoniot and electron temperature, at extreme pressures of,--,Gbar at the National Ignition Facility (NIF). In these experiments we launch spherically convergent shocks into solid CH, using a Hohlraum radiation drive. X-ray radiography is applied to measure the shock speed and infer the mass density profile, enabling determining of the material pressure and Hugoniot equation of state. X-ray scattering is applied to measure the electron temperature through measurement of the electron velocity distribution.
C1 [Kritcher, A. L.; Doeppner, T.; Swift, D.; Hawreliak, J.; Nilsen, J.; Hammer, J.; Bachmann, B.; Collins, G.; Landen, O.; Keane, C.] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Glenzer, S.] SLAC Accelerator Natl Lab, Menlo Pk, CA USA.
[Rothman, S.; Chapman, D.] Atom Weapons Estab, Reading, Berks, England.
[Kraus, D.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
RP Kritcher, AL (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA.
EM kritcher2@llnl.gov
NR 26
TC 3
Z9 3
U1 0
U2 4
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 688
AR 012055
DI 10.1088/1742-6596/688/1/012055
PG 5
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100055
ER
PT S
AU Merrill, FE
Danly, CR
Fittinghoff, DN
Grim, GP
Guler, N
Volegov, PL
Wilde, CH
AF Merrill, F. E.
Danly, C. R.
Fittinghoff, D. N.
Grim, G. P.
Guler, N.
Volegov, P. L.
Wilde, C. H.
GP IOP
TI Results from neutron imaging of ICF experiments at NIF
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
AB In 2011 a neutron imaging diagnostic was commissioned at the National Ignition Facility (NIF). This new system has been used to collect neutron images to measure the size and shape of the burning DT plasma and the surrounding fuel assembly. The imaging technique uses a pinhole neutron aperture placed between the neutron source and a neutron detector. The detection system measures the two-dimensional distribution of neutrons passing through the pinhole. This diagnostic collects two images at two times. The long flight path for this diagnostic, 28 m, results in a chromatic separation of the neutrons, allowing the independently timed images to measure the source distribution for two neutron energies. Typically one image measures the distribution of the 14 MeV neutrons, and the other image measures the distribution of the 6-12 MeV neutrons. The combination of these two images has provided data on the size and shape of the burning plasma within the compressed capsule, as well as a measure of the quantity and spatial distribution of the cold fuel surrounding this core. Images have been collected for the majority of the experiments performed as part of the ignition campaign. Results from this data have been used to estimate a burn-averaged fuel assembly as well as providing performance metrics to gauge progress towards ignition. This data set and our interpretation are presented.
C1 [Merrill, F. E.; Danly, C. R.; Grim, G. P.; Guler, N.; Volegov, P. L.; Wilde, C. H.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA.
[Fittinghoff, D. N.] Lawrence Livermore Natl Lab, POB 808, Livermore, CA USA.
RP Merrill, FE (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA.
EM fmerrill@lanl.gov
NR 8
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 2016
VL 688
AR 012064
DI 10.1088/1742-6596/688/1/012064
PG 4
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100064
ER
PT S
AU Morita, T
Kugland, NL
Wan, W
Crowston, R
Drake, RP
Fiuza, F
Gregori, G
Huntington, C
Ishikawa, T
Koenig, M
Kuranz, C
Levy, MC
Martinez, D
Meinecke, J
Miniati, F
Murphy, CD
Pelka, A
Plechaty, C
Presura, R
Quiros, N
Remington, BA
Reville, B
Ross, JS
Ryutov, DD
Sakawa, Y
Steele, L
Takabe, H
Yamaura, Y
Woolsey, N
Park, HS
AF Morita, T.
Kugland, N. L.
Wan, W.
Crowston, R.
Drake, R. P.
Fiuza, F.
Gregori, G.
Huntington, C.
Ishikawa, T.
Koenig, M.
Kuranz, C.
Levy, M. C.
Martinez, D.
Meinecke, J.
Miniati, F.
Murphy, C. D.
Pelka, A.
Plechaty, C.
Presura, R.
Quiros, N.
Remington, B. A.
Reville, B.
Ross, J. S.
Ryutov, D. D.
Sakawa, Y.
Steele, L.
Takabe, H.
Yamaura, Y.
Woolsey, N.
Park, H. -S.
GP IOP
TI Proton imaging of an electrostatic field structure formed in
laser-produced counter-streaming plasmas
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
ID EARTHS BOW SHOCK; SUPERNOVA REMNANT; ACCELERATION; EVENTS
AB We report the measurements of electrostatic field structures associated with an electrostatic shock formed in laser-produced counter-streaming plasmas with proton imaging. The thickness of the electrostatic structure is estimated from proton images with different proton kinetic energies from 4.7 MeV to 10.7 MeV. The width of the transition region is characterized by electron scale length in the laser -produced plasma, suggesting that the field structure is formed due to a collisionless electrostatic shock.
C1 [Morita, T.] Kyushu Univ, Fac Engn Sci, Dept Energy Engn Sci, 6-1 Kasuga Koen, Kasuga, Fukuoka 8168580, Japan.
[Kugland, N. L.; Fiuza, F.; Huntington, C.; Levy, M. C.; Martinez, D.; Plechaty, C.; Remington, B. A.; Ross, J. S.; Ryutov, D. D.; Park, H. -S.] Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA.
[Wan, W.; Drake, R. P.; Kuranz, C.] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA.
[Crowston, R.; Woolsey, N.] Univ York, York YO10 5DD, N Yorkshire, England.
[Gregori, G.; Meinecke, J.] Univ Oxford, Dept Phys, Parks Rd, Oxford OX1 3PU, England.
[Ishikawa, T.; Yamaura, Y.] Osaka Univ, Grad Sch Sci, 1-1 Machikane Yama, Toyonaka, Osaka 5600043, Japan.
[Koenig, M.; Pelka, A.] Univ Paris 06, Ecole Polytech, LULI, F-91128 Palaiseau, France.
[Levy, M. C.] Rice Univ, Houston, TX 77251 USA.
[Miniati, F.] ETH, Dept Phys, Wolfgang Pauli Str 27, CH-8093 Zurich, Switzerland.
[Murphy, C. D.] Univ Nevada, Reno, NV 89557 USA.
[Reville, B.] Queens Univ Belfast, Ctr Plasma Phys, Univ Rd, Belfast BT7, Antrim, North Ireland.
[Sakawa, Y.; Takabe, H.] Osaka Univ, Inst Laser Engn, 2-6 Yamada Oka, Suita, Osaka 5650871, Japan.
[Steele, L.] Univ Calif Davis, Davis, CA 95616 USA.
RP Morita, T (reprint author), Kyushu Univ, Fac Engn Sci, Dept Energy Engn Sci, 6-1 Kasuga Koen, Kasuga, Fukuoka 8168580, Japan.
EM morita@aees.kyushu-u.ac.jp
RI Drake, R Paul/I-9218-2012; Sakawa, Youichi/J-5707-2016
OI Drake, R Paul/0000-0002-5450-9844; Sakawa, Youichi/0000-0003-4165-1048
NR 21
TC 0
Z9 0
U1 3
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 2016
VL 688
AR 012071
DI 10.1088/1742-6596/688/1/012071
PG 4
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100071
ER
PT S
AU Moses, EI
Atherton, J
Lagin, L
Larson, D
Keane, C
MacGowan, B
Patterson, R
Spaeth, M
Van Wonterghem, B
Wegner, P
Kauffman, R
AF Moses, E. I.
Atherton, J.
Lagin, L.
Larson, D.
Keane, C.
MacGowan, B.
Patterson, R.
Spaeth, M.
Van Wonterghem, B.
Wegner, P.
Kauffman, R.
GP IOP
TI The National Ignition Facility: Transition to a User Facility
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
ID FUSION
AB The National Ignition Facility (NIF) at Lawrence Livermore National Laboratory (LLNL) has been operational since March 2009 and has been transitioning to a user facility supporting ignition science, high energy density science (HEDS), national security applications, and fundamental science. The facility has achieved its design goal of 1.8 MJ and 500 TW of 3 omega light on target, and has performed target experiments with 1.9 MJ at peak powers of 410 TW. The facility is on track to perform over 200 target shots this year in support of all of its user communities. The facility has nearly 60 diagnostic systems operational and has shown flexibility in laser pulse shape and performance to meet the requirements of its multiple users. Progress continues on its goal of demonstrating thermonuclear burn in the laboratory. It has performed over 40 indirect-drive experiments with cryogenic-layered capsules. New platforms are being developed for HEDS and fundamental science. Equation-of-state and material strength experiments have been done on a number of materials with pressures of over 50 MBars obtained in diamond, conditions never previously encountered in the laboratory and similar to those found in planetary interiors. Experiments are also in progress investigating radiation transport, hydrodynamic instabilities, and direct drive implosions. NIF continues to develop as an experimental facility. Advanced Radiographic Capability (ARC) is now being installed on NIF for producing high-energy radiographs of the imploded cores of ignition targets and for short pulse laser-plasma interaction experiments. One NIF beam is planned for conversion to two picosecond beams in 2014. Other new diagnostics such as x-ray Thomson scattering, low energy neutron spectrometer, and multi-layer reflecting x-ray optics are also planned. Incremental improvements in laser performance such as improved optics damage performance, beam balance, and back reflection control are being pursued.
C1 [Moses, E. I.; Atherton, J.; Lagin, L.; Larson, D.; Keane, C.; MacGowan, B.; Patterson, R.; Spaeth, M.; Van Wonterghem, B.; Wegner, P.; Kauffman, R.] Lawrence Livermore Natl Lab, Livermore, CA 94450 USA.
RP Moses, EI (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94450 USA.
EM moses1@llnl.gov
NR 18
TC 1
Z9 1
U1 6
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 2016
VL 688
AR 012073
DI 10.1088/1742-6596/688/1/012073
PG 9
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100073
ER
PT S
AU Murphy, TJ
Kyrala, GA
Krasheninnikova, NS
Bradley, PA
Cobble, JA
Tregillis, IL
Obrey, KAD
Baumgaertel, JA
Hsu, SC
Shah, RC
Hakel, P
Kline, JL
Schmitt, MJ
Kanzleiter, RJ
Batha, SH
Wallace, RJ
Bhandarkar, S
Fitzsimmons, P
Hoppe, M
Nikroo, A
McKenty, P
AF Murphy, T. J.
Kyrala, G. A.
Krasheninnikova, N. S.
Bradley, P. A.
Cobble, J. A.
Tregillis, I. L.
Obrey, K. A. D.
Baumgaertel, J. A.
Hsu, S. C.
Shah, R. C.
Hakel, P.
Kline, J. L.
Schmitt, M. J.
Kanzleiter, R. J.
Batha, S. H.
Wallace, R. J.
Bhandarkar, S.
Fitzsimmons, P.
Hoppe, M.
Nikroo, A.
McKenty, P.
GP IOP
TI Development of a polar direct drive platform for mix and burn
experiments on the National Ignition Facility
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
AB Capsules driven with polar drive [1, 2] on the National Ignition Facility [3] are being used [4] to study mix in convergent geometry. In preparation for experiments that will utilize deuterated plastic shells with a pure tritium fill, hydrogen-filled capsules with copper doped deuterated layers have been imploded on NIF to provide spectroscopic and nuclear measurements of capsule performance. Experiments have shown that the mix region, when composed of shell material doped with about 1% copper (by atom), reaches temperatures of about 2 keV, while undoped mixed regions reach about 3 keV. Based on the yield from these implosions, we estimate the thickness of CD that mixed into the gas as between about 0.25 and 0.43 mu\m of the inner capsule surface, corresponding to about 5 to 9 mu g of material. Using 5 atm of tritium as the fill gas should result in over 1013 DT neutrons being produced, which is sufficient for neutron imaging [5].
C1 [Murphy, T. J.; Kyrala, G. A.; Krasheninnikova, N. S.; Bradley, P. A.; Cobble, J. A.; Tregillis, I. L.; Obrey, K. A. D.; Baumgaertel, J. A.; Hsu, S. C.; Shah, R. C.; Hakel, P.; Kline, J. L.; Schmitt, M. J.; Kanzleiter, R. J.; Batha, S. H.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA.
[Wallace, R. J.; Bhandarkar, S.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
[Fitzsimmons, P.; Hoppe, M.; Nikroo, A.] Gen Atom, POB 85608, San Diego, CA 92186 USA.
[McKenty, P.] Univ Rochester, Laser Energet Lab, 250 E River Rd, Rochester, NY 14623 USA.
RP Murphy, TJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA.
EM tjmurphy@lanl.gov
RI Murphy, Thomas/F-3101-2014;
OI Murphy, Thomas/0000-0002-6137-9873; Hakel, Peter/0000-0002-7936-4231;
Schmitt, Mark/0000-0002-0197-9180; Bradley, Paul/0000-0001-6229-6677;
Hsu, Scott/0000-0002-6737-4934
NR 17
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 2016
VL 688
AR 012075
DI 10.1088/1742-6596/688/1/012075
PG 4
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100075
ER
PT S
AU Park, HS
Ross, JS
Huntington, CM
Fiuza, F
Ryutov, D
Casey, D
Drake, RP
Fiksel, G
Froula, D
Gregori, G
Kugland, NL
Kuranz, C
Levy, MC
Li, CK
Meinecke, J
Morita, T
Petrasso, R
Plechaty, C
Remington, B
Sakawa, Y
Spitkovsky, A
Takabe, H
Zylstra, AB
AF Park, Hye-Sook
Ross, J. S.
Huntington, C. M.
Fiuza, F.
Ryutov, D.
Casey, D.
Drake, R. P.
Fiksel, G.
Froula, D.
Gregori, G.
Kugland, N. L.
Kuranz, C.
Levy, M. C.
Li, C. K.
Meinecke, J.
Morita, T.
Petrasso, R.
Plechaty, C.
Remington, B.
Sakawa, Y.
Spitkovsky, A.
Takabe, H.
Zylstra, A. B.
GP IOP
TI Laboratory astrophysical collisionless shock experiments on Omega and
NIF
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
ID PLASMA
AB We are performing scaled astrophysics experiments on Omega and on NIF. Laser driven counter-streaming interpenetrating supersonic plasma flows can be studied to understand astrophysical electromagnetic plasma phenomena in a controlled laboratory setting. In our Omega experiments, the counter-streaming flow plasma state is measured using Thomson scattering diagnostics, demonstrating the plasma flows are indeed super-sonic and in the collisionless regime. We observe a surprising additional electron and ion heating from ion drag force in the double flow experiments that are attributed to the ion drag force and electrostatic instabilities. [1] A proton probe is used to image the electric and magnetic fields. We observe unexpected large, stable and reproducible electromagnetic field structures that arise in the counter-streaming flows [2]. The Biermann battery magnetic field generated near the target plane, advected along the flows, and recompressed near the midplane explains the cause of such self-organizing field structures [3]. A (DHe)-He-3 implosion proton probe image showed very clear filamentary structures; three-dimensional Particle-In-Cell simulations and simulated proton radiography images indicate that these filamentary structures are generated by Weibel instabilities and that the magnetization level (ratio of magnetic energy over kinetic energy in the system) is similar to 0.01 [4]. These findings have very high astrophysical relevance and significant implications. We expect to observe true collisionless shock formation when we use >100 kJ laser energy on NIF.
C1 [Park, Hye-Sook; Ross, J. S.; Huntington, C. M.; Fiuza, F.; Ryutov, D.; Casey, D.; Levy, M. C.; Plechaty, C.; Remington, B.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA USA.
[Drake, R. P.; Kuranz, C.] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA.
[Fiksel, G.; Froula, D.] Univ Rochester, Laser Energet Lab, Rochester, NY USA.
[Gregori, G.; Meinecke, J.] Univ Oxford, Oxford, England.
[Kugland, N. L.] Lam Res Corp, 4400 Cushing Pkwy, Fremont, CA USA.
[Li, C. K.; Petrasso, R.; Zylstra, A. B.] MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
[Morita, T.; Sakawa, Y.; Takabe, H.] Osaka Univ, Inst Laser Engn, Osaka, Japan.
[Spitkovsky, A.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA.
[Levy, M. C.] Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA.
RP Park, HS (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA USA.
EM park1@llnl.gov
RI Drake, R Paul/I-9218-2012; Sakawa, Youichi/J-5707-2016
OI Drake, R Paul/0000-0002-5450-9844; Sakawa, Youichi/0000-0003-4165-1048
NR 12
TC 0
Z9 0
U1 2
U2 10
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 688
AR 012084
DI 10.1088/1742-6596/688/1/012084
PG 6
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100084
ER
PT S
AU Radha, PB
Goncharov, VN
Hohenberger, M
Sangster, TC
Betti, R
Craxton, RS
Edgell, DH
Epstein, R
Froula, DH
Marozas, JA
Marshall, FJ
McCrory, RL
McKenty, PW
Meyerhofer, DD
Michel, DT
Hu, SX
Seka, W
Shvydky, A
Skupsky, S
Frenje, JA
Gatu-Johnson, M
Petrasso, RD
Ma, T
Le Pape, S
Mackinnon, AJ
AF Radha, P. B.
Goncharov, V. N.
Hohenberger, M.
Sangster, T. C.
Betti, R.
Craxton, R. S.
Edgell, D. H.
Epstein, R.
Froula, D. H.
Marozas, J. A.
Marshall, F. J.
McCrory, R. L.
McKenty, P. W.
Meyerhofer, D. D.
Michel, D. T.
Hu, S. X.
Seka, W.
Shvydky, A.
Skupsky, S.
Frenje, J. A.
Gatu-Johnson, M.
Petrasso, R. D.
Ma, T.
Le Pape, S.
Mackinnon, A. J.
GP IOP
TI Direct-drive implosion physics: Results from OMEGA and the National
Ignition Facility
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
ID LASER; LIGHT
AB Direct-drive-implosion experiments from both OMEGA and the National Ignition Facility (NIF) are critical to gain confidence in ignition predictions on the NIF. Adequate performance of hydrodynamically scaled 1.8-MJ ignition designs must be obtained on OMEGA at 26 kJ. Implosions on the NIF must be used to identify and mitigate the effect of laser-plasma interactions (LPI's) on hydrodynamic parameters at the NIF scale. Results from spherically driven OMEGA cryogenic implosion experiments are described. Mitigation of nonuniformity sources and cross-beam energy transfer (CBET) is important for improving target performance on OMEGA. Initial polar-driven implosion experiments on the NIF have provided valuable measurements of trajectory and symmetry. Simulations that include the effect of CBET more closely reproduce the observed velocity.
C1 [Radha, P. B.; Goncharov, V. N.; Hohenberger, M.; Sangster, T. C.; Betti, R.; Craxton, R. S.; Edgell, D. H.; Epstein, R.; Froula, D. H.; Marozas, J. A.; Marshall, F. J.; McCrory, R. L.; McKenty, P. W.; Meyerhofer, D. D.; Michel, D. T.; Hu, S. X.; Seka, W.; Shvydky, A.; Skupsky, S.] Univ Rochester, Laser Energet Lab, Rochester, NY USA.
[Frenje, J. A.; Gatu-Johnson, M.; Petrasso, R. D.] MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
[Ma, T.; Le Pape, S.; Mackinnon, A. J.] Lawrence Livermore Natl Lab, Livermore, CA USA.
RP Radha, PB (reprint author), Univ Rochester, Laser Energet Lab, Rochester, NY USA.
EM rbah@lle.rochester.edu
NR 20
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 2016
VL 688
AR 012006
DI 10.1088/1742-6596/688/1/012006
PG 6
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100006
ER
PT S
AU Remington, BA
Atherton, LJ
Benedetti, LR
Berzak-Hopkins, L
Bradley, DK
Callahan, DA
Casey, DT
Celliers, PM
Cerjan, CJ
Clark, DS
Dewald, EL
Dittrich, TR
Dixit, SN
Doppner, T
Edgell, DH
Edwards, MJ
Epstein, R
Frenje, J
Gatu-Johnson, M
Glenn, S
Glenzer, SH
Grim, G
Haan, SW
Hammel, BA
Hamza, A
Hicks, D
Hsing, WW
Hurricane, O
Izumi, N
Jones, OS
Key, MH
Khan, SF
Kilkenny, JD
Kline, JL
Kyrala, GA
Landen, OL
Le Pape, S
Lindl, JD
Ma, T
MacGowan, BJ
Mackinnon, AJ
MacPhee, AG
Meezan, NB
Moody, JD
Moses, EI
Nikroo, A
Pak, A
Parham, T
Park, HS
Patel, PK
Petrasso, R
Pino, J
Ralph, JE
Raman, K
Regan, SP
Robey, HF
Ross, JS
Spears, BK
Smalyuk, VA
Springer, PT
Suter, LJ
Tipton, R
Tommasini, R
Town, RP
Weber, SV
AF Remington, B. A.
Atherton, L. J.
Benedetti, L. R.
Berzak-Hopkins, L.
Bradley, D. K.
Callahan, D. A.
Casey, D. T.
Celliers, P. M.
Cerjan, C. J.
Clark, D. S.
Dewald, E. L.
Dittrich, T. R.
Dixit, S. N.
Doeppner, T.
Edgell, D. H.
Edwards, M. J.
Epstein, R.
Frenje, J.
Gatu-Johnson, M.
Glenn, S.
Glenzer, S. H.
Grim, G.
Haan, S. W.
Hammel, B. A.
Hamza, A.
Hicks, D.
Hsing, W. W.
Hurricane, O.
Izumi, N.
Jones, O. S.
Key, M. H.
Khan, S. F.
Kilkenny, J. D.
Kline, J. L.
Kyrala, G. A.
Landen, O. L.
Le Pape, S.
Lindl, J. D.
Ma, T.
MacGowan, B. J.
Mackinnon, A. J.
MacPhee, A. G.
Meezan, N. B.
Moody, J. D.
Moses, E. I.
Nikroo, A.
Pak, A.
Parham, T.
Park, H. -S.
Patel, P. K.
Petrasso, R.
Pino, J.
Ralph, J. E.
Raman, K.
Regan, S. P.
Robey, H. F.
Ross, J. S.
Spears, B. K.
Smalyuk, V. A.
Springer, P. T.
Suter, L. J.
Tipton, R.
Tommasini, R.
Town, R. P.
Weber, S. V.
GP IOP
TI Hydrodynamic instabilities and mix studies on NIF: predictions,
observations, and a path forward
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
ID RAYLEIGH-TAYLOR INSTABILITY; NONLINEAR EVOLUTION; LASER-FUSION;
SINGLE-MODE; GROWTH; NOVA; STABILITY
AB The goals of the Mix Campaign are to determine how mix affects performance, locate the "mix cliff", locate the source of the mix, and develop mitigation methods that allow performance to be increased. We have used several different drive pulse shapes and capsule designs in the Mix Campaign, to understand sensitivity to drive peak power, level of coast, rise time to peak power, adiabat, and dopant level in the capsule. Ablator material mixing into the hot spot has been shown conclusively with x-ray spectroscopy. The observed neutron yield drops steeply when the hot spot mix mass becomes too large. The mix appears to be driven by ablation-front Rayleigh-Taylor instabilities. A high foot, higher adiabat drive has a more stable ablation front and has allowed the mix mass in the hot spot to be reduced significantly. Two recent high foot shots achieved neutron yields > 10(15) and measured neutron yield over clean 1D simulation (YOC) > 50%, which was one of the central goals of the Mix Campaign.
C1 [Remington, B. A.; Atherton, L. J.; Benedetti, L. R.; Berzak-Hopkins, L.; Bradley, D. K.; Callahan, D. A.; Casey, D. T.; Celliers, P. M.; Cerjan, C. J.; Clark, D. S.; Dewald, E. L.; Dittrich, T. R.; Dixit, S. N.; Doeppner, T.; Edgell, D. H.; Edwards, M. J.; Glenn, S.; Haan, S. W.; Hammel, B. A.; Hamza, A.; Hicks, D.; Hsing, W. W.; Hurricane, O.; Izumi, N.; Jones, O. S.; Key, M. H.; Khan, S. F.; Landen, O. L.; Le Pape, S.; Lindl, J. D.; Ma, T.; MacGowan, B. J.; Mackinnon, A. J.; MacPhee, A. G.; Meezan, N. B.; Moody, J. D.; Moses, E. I.; Pak, A.; Parham, T.; Park, H. -S.; Patel, P. K.; Pino, J.; Ralph, J. E.; Raman, K.; Robey, H. F.; Ross, J. S.; Spears, B. K.; Smalyuk, V. A.; Springer, P. T.; Suter, L. J.; Tipton, R.; Tommasini, R.; Town, R. P.; Weber, S. V.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
[Epstein, R.; Regan, S. P.] Univ Rochester, Laser Energet Lab, 250 E River Rd, Rochester, NY 14623 USA.
[Frenje, J.; Gatu-Johnson, M.] MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
[Glenzer, S. H.] SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA.
[Grim, G.; Kline, J. L.; Kyrala, G. A.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[Kilkenny, J. D.; Nikroo, A.] Gen Atom Co, 3550 Gen Atom Court, San Diego, CA 92186 USA.
RP Remington, BA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
RI IZUMI, Nobuhiko/J-8487-2016; Patel, Pravesh/E-1400-2011; Tommasini,
Riccardo/A-8214-2009;
OI IZUMI, Nobuhiko/0000-0003-1114-597X; Tommasini,
Riccardo/0000-0002-1070-3565; Hicks, Damien/0000-0001-8322-9983
NR 33
TC 1
Z9 1
U1 1
U2 8
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 688
AR 012090
DI 10.1088/1742-6596/688/1/012090
PG 6
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100090
ER
PT S
AU Robey, HF
Celliers, PM
Moody, JD
Sater, J
Parham, T
Kozioziemski, B
Dylla-Spears, R
Ross, JS
LePape, S
Ralph, JE
Hohenberger, M
Dewald, EL
Hopkins, LB
Kroll, JJ
Yoxall, BE
Hamza, AV
Boehly, TR
Nikroo, A
Landen, OL
Edwards, MJ
AF Robey, H. F.
Celliers, P. M.
Moody, J. D.
Sater, J.
Parham, T.
Kozioziemski, B.
Dylla-Spears, R.
Ross, J. S.
LePape, S.
Ralph, J. E.
Hohenberger, M.
Dewald, E. L.
Hopkins, L. Berzak
Kroll, J. J.
Yoxall, B. E.
Hamza, A. V.
Boehly, T. R.
Nikroo, A.
Landen, O. L.
Edwards, M. J.
GP IOP
TI Advances in shock timing experiments on the National Ignition Facility
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
ID TARGETS
AB Recent advances in shock timing experiments and analysis techniques now enable shock measurements to be performed in cryogenic deuterium-tritium (DT) ice layered capsule implosions on the National Ignition Facility (NIF). Previous measurements of shock timing in inertial confinement fusion (ICF) implosions were performed in surrogate targets, where the solid DT ice shell and central DT gas were replaced with a continuous liquid deuterium (D2) fill. These previous experiments pose two surrogacy issues: a material surrogacy due to the difference of species (D2 vs. DT) and densities of the materials used and a geometric surrogacy due to presence of an additional interface (ice/gas) previously absent in the liquid-filled targets. This report presents experimental data and a new analysis method for validating the assumptions underlying this surrogate technique.
C1 [Robey, H. F.; Celliers, P. M.; Moody, J. D.; Sater, J.; Parham, T.; Kozioziemski, B.; Dylla-Spears, R.; Ross, J. S.; LePape, S.; Ralph, J. E.; Dewald, E. L.; Hopkins, L. Berzak; Kroll, J. J.; Yoxall, B. E.; Hamza, A. V.; Landen, O. L.; Edwards, M. J.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
[Hohenberger, M.; Boehly, T. R.] Univ Rochester, Laser Energet Lab, 250 E River Rd, Rochester, NY 14623 USA.
[Nikroo, A.] Gen Atom Co, 3550 Gen Atom Court, San Diego, CA 92186 USA.
RP Robey, HF (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
NR 18
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 2016
VL 688
AR 012092
DI 10.1088/1742-6596/688/1/012092
PG 6
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100092
ER
PT S
AU Roth, M
Jung, D
Falk, K
Guler, N
Deppert, O
Devlin, M
Favalli, A
Fernandez, J
Gautier, DC
Geissel, M
Haight, R
Hamilton, CE
Hegelich, BM
Johnson, RP
Kleinschmidt, A
Merrill, F
Schaumann, G
Schoenberg, K
Schollmeier, M
Shimada, T
Taddeucci, T
Tybo, JL
Wagner, F
Wender, SA
Wilde, CH
Wurden, GA
AF Roth, M.
Jung, D.
Falk, K.
Guler, N.
Deppert, O.
Devlin, M.
Favalli, A.
Fernandez, J.
Gautier, D. C.
Geissel, M.
Haight, R.
Hamilton, C. E.
Hegelich, B. M.
Johnson, R. P.
Kleinschmidt, A.
Merrill, F.
Schaumann, G.
Schoenberg, K.
Schollmeier, M.
Shimada, T.
Taddeucci, T.
Tybo, J. L.
Wagner, F.
Wender, S. A.
Wilde, C. H.
Wurden, G. A.
GP IOP
TI A bright neutron source driven by relativistic transparency of solids
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
ID LASER; PULSES
AB Neutrons are a unique tool to alter and diagnose material properties and excite nuclear reactions with a large field of applications. It has been stated over the last years, that there is a growing need for intense, pulsed neutron sources, either fast or moderated neutrons for the scientific community. Accelerator based spallation sources provide unprecedented neutron fluxes, but could be complemented by novel sources with higher peak brightness that are more compact. Lasers offer the prospect of generating a very compact neutron source of high peak brightness that could be linked to other facilities more easily.
We present experimental results on the first short pulse laser driven neutron source powerful enough for applications in radiography. For the first time an acceleration mechanism (BOA) based on the concept of relativistic transparency has been used to generate neutrons. This mechanism not only provides much higher particle energies, but also accelerated the entire target volume, thereby circumventing the need for complicated target treatment and no longer limited to protons as an intense ion source. As a consequence we have demonstrated a new record in laser-neutron production, not only in numbers, but also in energy and directionality based on an intense deuteron beam. The beam contained, for the first time, neutrons with energies in excess of 100 MeV and showed pronounced directionality, which makes then extremely useful for a variety of applications.
The results also address a larger community as it paves the way to use short pulse lasers as a neutron source. They can open up neutron research to a broad academic community including material science, biology, medicine and high energy density physics as laser systems become more easily available to universities and therefore can complement large scale facilities like reactors or particle accelerators. We believe that this has the potential to increase the user community for neutron research largely.
C1 [Roth, M.; Deppert, O.; Kleinschmidt, A.; Schaumann, G.; Wagner, F.] Tech Univ Darmstadt, Petersenstr 30, D-64289 Darmstadt, Germany.
[Roth, M.; Jung, D.; Falk, K.; Guler, N.; Devlin, M.; Favalli, A.; Fernandez, J.; Gautier, D. C.; Haight, R.; Hamilton, C. E.; Johnson, R. P.; Merrill, F.; Schoenberg, K.; Shimada, T.; Taddeucci, T.; Tybo, J. L.; Wender, S. A.; Wilde, C. H.; Wurden, G. A.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[Geissel, M.; Schollmeier, M.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Hegelich, B. M.] Univ Texas Austin, Austin, TX 78712 USA.
RP Roth, M (reprint author), Tech Univ Darmstadt, Petersenstr 30, D-64289 Darmstadt, Germany.
EM markus.roth@physik.tu-darmstadt.de
RI Wurden, Glen/A-1921-2017; Fernandez, Juan/H-3268-2011; Devlin,
Matthew/B-5089-2013;
OI Wurden, Glen/0000-0003-2991-1484; Fernandez, Juan/0000-0002-1438-1815;
Devlin, Matthew/0000-0002-6948-2154; Hamilton,
Christopher/0000-0002-1605-5992; Falk, Katerina/0000-0001-5975-776X;
Wender, Stephen/0000-0002-2446-5115
NR 17
TC 0
Z9 0
U1 4
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 2016
VL 688
AR 012094
DI 10.1088/1742-6596/688/1/012094
PG 4
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100094
ER
PT S
AU Simakov, AN
Wilson, DC
Yi, SA
Kline, JL
Salmonson, JD
Clark, DS
Milovich, JL
Marinak, MM
AF Simakov, A. N.
Wilson, D. C.
Yi, S. A.
Kline, J. L.
Salmonson, J. D.
Clark, D. S.
Milovich, J. L.
Marinak, M. M.
GP IOP
TI Beryllium ignition target design for indirect drive NIF experiments
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
AB Beryllium (Be) ablator offers multiple advantages over carbon based ablators for indirectly driven NIF ICF ignition targets. These are higher mass ablation rate, ablation pressure and ablation velocity, lower capsule albedo, and higher thermal conductivity at cryogenic temperatures. Such advantages can be used to improve the target robustness and performance. While previous NIF Be target designs exist, they were obtained a long time ago and do not incorporate the latest improved physical understanding and models based upon NIF experiments. Herein, we propose a new NIF Be ignition target design at 1.45 MJ, 430 TW that takes all this knowledge into account.
C1 [Simakov, A. N.; Wilson, D. C.; Yi, S. A.; Kline, J. L.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Salmonson, J. D.; Clark, D. S.; Milovich, J. L.; Marinak, M. M.] Lawrence Livermore Natl Lab, Livermore, CA USA.
RP Simakov, AN (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA.
EM simakov@lanl.gov
OI Simakov, Andrei/0000-0001-7064-9153; Kline, John/0000-0002-2271-9919
NR 9
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 2016
VL 688
AR 012110
DI 10.1088/1742-6596/688/1/012110
PG 4
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100110
ER
PT S
AU Smalyuk, VA
Caggiano, J
Casey, D
Cerjan, C
Clark, DS
Edwards, J
Grim, G
Haan, SW
Hammel, BA
Hamza, A
Hsing, W
Hurricane, O
Kilkenny, J
Kline, J
Knauer, J
Landen, O
McNaney, J
Mintz, M
Nikroo, A
Parham, T
Park, HS
Pino, J
Raman, K
Remington, BA
Robey, HF
Rowley, D
Tipton, R
Weber, S
Yeamans, C
AF Smalyuk, V. A.
Caggiano, J.
Casey, D.
Cerjan, C.
Clark, D. S.
Edwards, J.
Grim, G.
Haan, S. W.
Hammel, B. A.
Hamza, A.
Hsing, W.
Hurricane, O.
Kilkenny, J.
Kline, J.
Knauer, J.
Landen, O.
McNaney, J.
Mintz, M.
Nikroo, A.
Parham, T.
Park, H. -S.
Pino, J.
Raman, K.
Remington, B. A.
Robey, H. F.
Rowley, D.
Tipton, R.
Weber, S.
Yeamans, C.
GP IOP
TI Hydrodynamic growth and mix experiments at National Ignition Facility
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
AB Hydrodynamic growth and its effects on implosion performance and mix were studied at the National Ignition Facility (NIF). Spherical shells with pre-imposed 2D modulations were used to measure Rayleigh-Taylor (RT) instability growth in the acceleration phase of implosions using in-flight x-ray radiography. In addition, implosion performance and mix have been studied at peak compression using plastic shells filled with tritium gas and imbedding localized CD diagnostic layer in various locations in the ablator. Neutron yield and ion temperature of the DT fusion reactions were used as a measure of shell-gas mix, while neutron yield of the TT fusion reaction was used as a measure of implosion performance. The results have indicated that the low-mode hydrodynamic instabilities due to surface roughness were the primary culprits to yield degradation, with atomic ablator-gas mix playing a secondary role.
C1 [Smalyuk, V. A.; Caggiano, J.; Casey, D.; Cerjan, C.; Clark, D. S.; Edwards, J.; Haan, S. W.; Hammel, B. A.; Hamza, A.; Hsing, W.; Hurricane, O.; Landen, O.; McNaney, J.; Mintz, M.; Parham, T.; Park, H. -S.; Pino, J.; Raman, K.; Remington, B. A.; Robey, H. F.; Rowley, D.; Tipton, R.; Weber, S.; Yeamans, C.] Lawrence Livermore Natl Lab, NIF Directorate, Livermore, CA 94550 USA.
[Grim, G.; Kline, J.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA.
[Kilkenny, J.; Nikroo, A.] Gen Atom Co, San Diego, CA 92186 USA.
[Knauer, J.] Univ Rochester, Laser Energet Lab, 250 E River Rd, Rochester, NY 14623 USA.
RP Smalyuk, VA (reprint author), Lawrence Livermore Natl Lab, NIF Directorate, Livermore, CA 94550 USA.
NR 6
TC 2
Z9 2
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 2016
VL 688
AR 012113
DI 10.1088/1742-6596/688/1/012113
PG 5
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100113
ER
PT S
AU Tang, XZ
Guo, ZH
Kagan, G
McDevitt, C
Srinivasan, B
AF Tang, Xian-Zhu
Guo, Zehua
Kagan, Grigory
McDevitt, Christopher
Srinivasan, Bhuvana
GP IOP
TI Plasma physics effects on thermonuclear burn rate in the presence of
hydrodynamic mix
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
AB Hydrodynamic mix can significantly degrade thermonuclear burn rate in an inertial confinement fusion (ICF) target. Successful mitigation requires a detailed understanding of the physical mechanisms by which mix affects burn. Here we summarize the roles of three distinct plasma physics effects on burn rate. The first is the well-known effect of enhanced thermal energy loss from the hot spot and the mitigating role of self-generated or externally-applied magnetic field. The second is the fuel ion separation via inter-species ion diffusion driven by the powerful thermodynamic forces exacerbated by mix during the implosion process. The third is the fusion reactivity modification by fast ion transport in a mix-dominated ICF target, where hot plasma is intermingled with cold fuel.
C1 [Tang, Xian-Zhu; Guo, Zehua; Kagan, Grigory; McDevitt, Christopher; Srinivasan, Bhuvana] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Tang, XZ (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM xtang@lanl.gov
OI McDevitt, Christopher/0000-0002-3674-2909
NR 19
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 2016
VL 688
AR 012123
DI 10.1088/1742-6596/688/1/012123
PG 4
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100123
ER
PT S
AU Willingale, L
Nilson, PM
Zulick, C
Chen, H
Craxton, RS
Cobble, J
Maksimchuk, A
Norreys, PA
Sangster, TC
Scott, RHH
Stoeckl, C
AF Willingale, L.
Nilson, P. M.
Zulick, C.
Chen, H.
Craxton, R. S.
Cobble, J.
Maksimchuk, A.
Norreys, P. A.
Sangster, T. C.
Scott, R. H. H.
Stoeckl, C.
GP IOP
TI Relativistic intensity laser interactions with low-density plasmas
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
ID UNDERDENSE PLASMAS; CHANNEL FORMATION; PULSE; BEAMS
AB We perform relativistic-intensity laser experiments using the Omega EP laser to investigate channeling phenomena and particle acceleration in underdense plasmas. A fundamental understanding of these processes is of importance to the hole-boring fast ignition scheme for inertial confinement fusion. Proton probing was used to image the electromagnetic fields formed as the Omega EP laser pulse generated a channel through underdense plasma. Filamentation of the channel was observed, followed by self-correction into a single channel. The channel radius as a function of time was found to be in reasonable agreement with momentum conserving snowplough models.
C1 [Willingale, L.; Zulick, C.; Maksimchuk, A.] Univ Michigan, Ctr Ultrafast Opt Sci, 2200 Bonisteel Blvd, Ann Arbor, MI 48109 USA.
[Nilson, P. M.; Craxton, R. S.; Sangster, T. C.; Stoeckl, C.] Univ Rochester, Laser Energet Lab, 250 E River Rd, Rochester, NY 14623 USA.
[Chen, H.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
[Cobble, J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Norreys, P. A.; Scott, R. H. H.] Rutherford Appleton Lab, Cent Laser Facil, Didcot, Oxon, England.
RP Willingale, L (reprint author), Univ Michigan, Ctr Ultrafast Opt Sci, 2200 Bonisteel Blvd, Ann Arbor, MI 48109 USA.
EM wlouise@umich.edu
NR 29
TC 1
Z9 1
U1 2
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 2016
VL 688
AR 012126
DI 10.1088/1742-6596/688/1/012126
PG 4
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100126
ER
PT S
AU Zhang, Z
Nishimura, H
Fujioka, S
Arikawa, Y
Nakai, M
Chen, H
Park, J
Williams, GJ
Ozaki, T
Shiraga, H
Kojima, S
Johzaki, T
Sunahara, A
Miyanaga, N
Kawanaka, J
Nakata, Y
Jitsuno, T
Azechi, H
AF Zhang, Z.
Nishimura, H.
Fujioka, S.
Arikawa, Y.
Nakai, M.
Chen, H.
Park, J.
Williams, G. J.
Ozaki, T.
Shiraga, H.
Kojima, S.
Johzaki, T.
Sunahara, A.
Miyanaga, N.
Kawanaka, J.
Nakata, Y.
Jitsuno, T.
Azechi, H.
GP IOP
TI Quantitative K alpha line spectroscopy for energy transport in
ultra-intense laser plasma interaction
SO 8TH INTERNATIONAL CONFERENCE ON INERTIAL FUSION SCIENCES AND
APPLICATIONS (IFSA 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 8th International Conference on Inertial Fusion Sciences and
Applications (IFSA)
CY SEP 08-13, 2013
CL Nara, JAPAN
SP Osaka Univ, Inst Laser Engn, Univ California, Inst Laser Plasmas, Natl Inst Fus Sci, Japan Atom Energy Agcy, Kansai Photon Sci Inst, Commemorat Org Japan World Exposit 70, Inertial Fus Energy Forum, Japan Soc Promot Sci, Matsuo Fdn, Nara Visitors Bur, Ogasawara Fdn Promot Sci & Engn, Res Fdn Opto Sci & Technol, Res Fdn Electrotechnol Chubu
ID IGNITION
AB Absolute Ka line spectroscopy is proposed for studying laser-plasma interactions taking place in the cone-guided fast ignition targets. X-ray spectra ranging from 20 to 100 keV were quantitatively measured with a Laue spectrometer. The absolute sensitivities of the Laue spectrometer system were calibrated using pre-characterized laser-produced x-ray sources and radioisotopes. The integrated reflectivity for the crystal is in good agreement with predictions by an open code for x-ray diffraction. The energy transfer efficiency from incident laser beams to hot electrons, as the energy transfer agency, is derived as a consequence of this work. The absolute yield of Au and Ta Ka lines were measured in the fast ignition experimental campaign performed at Institute of Laser Engineering, Osaka University. Applying the hot electron spectrum information from the electron spectrometer, an energy transfer efficiency of the incident LFEX [1], a kJ-class PW laser, to hot electrons was derived for a planar and cone-guided geometry.
C1 [Zhang, Z.; Nishimura, H.; Fujioka, S.; Arikawa, Y.; Nakai, M.; Shiraga, H.; Kojima, S.; Miyanaga, N.; Kawanaka, J.; Nakata, Y.; Jitsuno, T.; Azechi, H.] Osaka Univ, Inst Laser Engn, 2-6 Yamada Oka, Suita, Osaka 5650871, Japan.
[Chen, H.; Park, J.; Williams, G. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Ozaki, T.] Inst Laser Technol, 2-6 Yamada Oka, Suita, Osaka 5650871, Japan.
Hiroshima Univ, Grad Sch Engn, 1-4-1 Kagamiyama, Higashihiroshima 7398527, Japan.
[Johzaki, T.] Inst Laser Technol, 2-6 Yamadaoka, Suita, Osaka 5650871, Japan.
RP Zhang, Z (reprint author), Osaka Univ, Inst Laser Engn, 2-6 Yamada Oka, Suita, Osaka 5650871, Japan.
EM zhang-z@ile.osaka-u.ac.jp
RI Nakai, Mitsuo/I-6758-2015; Nishimura, Hiroaki/I-4908-2015
OI Nakai, Mitsuo/0000-0001-6076-756X;
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 2016
VL 688
PG 4
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BE8AT
UT WOS:000376159100132
ER
PT S
AU Bhattarai, S
Neureuther, AR
Naulleau, PP
AF Bhattarai, Suchit
Neureuther, Andrew R.
Naulleau, Patrick P.
BE Hohle, CK
Younkin, TR
TI Study of Energy Delivery and Mean Free Path of Low Energy Electrons in
EUV Resists
SO ADVANCES IN PATTERNING MATERIALS AND PROCESSES XXXIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Patterning Materials and Processes XXXIII
CY FEB 22-25, 2016
CL San Jose, CA
SP SPIE, Tokyo Ohka Kogyo Co
DE Low energy electron microscopy (LEEM); electron energy loss
spectroscopy; inelastic mean free path; dielectric theory of scattering
AB The relative importance of secondary electrons in delivering energy in photoresist films was assessed by performing large area exposures and by quantifying the inelastic mean free path of electrons in a leading chemically amplified positive tone EUV resist. A low energy electron microscope was used to directly pattern large (similar to 15 mu mx 20 mu m) features with 15-80 eV electrons followed by analyzing the resulting dissolution rate contrast curve data. In the 40 to 80 eV regime the energy delivery was found to scale roughly proportionally with electron energy. In 15 to 30 eV regime however, this energy scaling did not explain the resist thickness loss data. The dose required to lower the resist thickness down to 20 nm was found to be 2-5X larger for 15 eV electrons than for 20, 25 and 30 eV electrons. Using scattering models from the literature including phonon scattering and optical data deduced electron energy loss spectroscopy and optical reflectometry, the inelastic mean free path values at energies between 10 eV and 92 eV range between about 2.8 and 0.6 nm respectively.
C1 [Bhattarai, Suchit; Neureuther, Andrew R.] Univ Calif Berkeley, Dept EECS, Berkeley, CA 94720 USA.
[Naulleau, Patrick P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr X Ray Opt, Berkeley, CA 94720 USA.
RP Bhattarai, S (reprint author), Univ Calif Berkeley, Dept EECS, Berkeley, CA 94720 USA.
NR 7
TC 1
Z9 1
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 978-1-5106-0014-0
J9 PROC SPIE
PY 2016
VL 9779
AR 97790B
DI 10.1117/12.2220390
PG 9
WC Materials Science, Multidisciplinary; Optics
SC Materials Science; Optics
GA BE9JJ
UT WOS:000377659400006
ER
PT S
AU Burckel, DB
AF Burckel, D. Bruce
BE Hohle, CK
Younkin, TR
TI 3D-ICs created using oblique processing
SO ADVANCES IN PATTERNING MATERIALS AND PROCESSES XXXIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Patterning Materials and Processes XXXIII
CY FEB 22-25, 2016
CL San Jose, CA
SP SPIE, Tokyo Ohka Kogyo Co
DE 3D-ICs; interconnects; oblique processing
ID FABRICATION; CIRCUITS
AB This paper demonstrates that another class of three-dimensional integrated circuits (3D-ICs) exists, distinct from through silicon via centric and monolithic 3D-ICs. Furthermore, it is possible to create devices that are 3D at the device level (i.e. with active channels oriented in each of the three coordinate axes), by performing standard CMOS fabrication operations at an angle with respect to the wafer surface into high aspect ratio silicon substrates using membrane projection lithography (MPL). MPL requires only minimal fixturing changes to standard CMOS equipment, and no change to current state-of-the-art lithography. Eliminating the constraint of 2D planar device architecture enables a wide range of new interconnect topologies which could help reduce interconnect resistance/capacitance, and potentially improve performance.
C1 [Burckel, D. Bruce] Sandia Natl Labs, POB 5800, Albuquerque, NM 87106 USA.
RP Burckel, DB (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87106 USA.
NR 15
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 978-1-5106-0014-0
J9 PROC SPIE
PY 2016
VL 9779
AR 97790N
DI 10.1117/12.2218696
PG 12
WC Materials Science, Multidisciplinary; Optics
SC Materials Science; Optics
GA BE9JJ
UT WOS:000377659400017
ER
PT S
AU Grzeskowiak, S
Narasimhan, A
Wisehart, L
Schad, J
Neisser, M
Ocola, LE
Brainard, RL
Denbeaux, G
AF Grzeskowiak, Steven
Narasimhan, Amrit
Wisehart, Liam
Schad, Jonathon
Neisser, Mark
Ocola, Leonidas E.
Brainard, Robert L.
Denbeaux, Greg
BE Hohle, CK
Younkin, TR
TI Cross Sections of EUV PAGs: Influence of Concentration, Electron Energy,
and Structure
SO ADVANCES IN PATTERNING MATERIALS AND PROCESSES XXXIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Patterning Materials and Processes XXXIII
CY FEB 22-25, 2016
CL San Jose, CA
SP SPIE, Tokyo Ohka Kogyo Co
DE EUV; lithography; PAG; photoacid generator; outgassing; electrons; mass
spectrometer
AB Optimizing the photochemistry of extreme ultraviolet (EUV) photoresists should provide faster, more efficient resists which would lead to greater throughput in manufacturing. The fundamental reaction mechanisms in EUV resists are believed to be due to interactions with energetic electrons liberated by ionization. Identifying the likelihood (or cross section) of how these photoelectrons interact with resist components is critical to optimizing the performance of EUV resists. Chemically amplified resists utilize photoacid generators (PAGs) to improve sensitivity; measuring the cross section of electron induced decomposition of different PAGs will provide insight into developing new resist materials. To study the interactions of photoelectrons generated by EUV absorption, photoresists were exposed to electron beams at energies between 80 and 250 eV. The reactions between PAG molecules and electrons were measured using a mass spectrometer to monitor the levels of small molecules produced by PAG decomposition that outgassed from the film. Comparing the cross sections of a variety of PAG molecules can provide insight into the relationship between chemical structure and reactivity to the electrons in their environments. This research is a part of a larger SEMATECH research program to understand the fundamentals of resist exposures to help in the development of new, better performing EUV resists.
C1 [Grzeskowiak, Steven; Narasimhan, Amrit; Wisehart, Liam; Schad, Jonathon; Brainard, Robert L.; Denbeaux, Greg] SUNY Albany, Coll Nanoscale Sci & Engn, Polytech Inst, 257 Fuller Rd, Albany, NY 12203 USA.
[Neisser, Mark] SUNY Albany, Polytech Inst, SEMATECH, 257 Fuller Rd 2200, Albany, NY 12203 USA.
[Ocola, Leonidas E.] Argonne Natl Lab, 9700 S Cass Ave, Lemont, IL 60439 USA.
RP Grzeskowiak, S (reprint author), SUNY Albany, Coll Nanoscale Sci & Engn, Polytech Inst, 257 Fuller Rd, Albany, NY 12203 USA.
EM sgrzeskowiak@sunypoly.edu
OI Ocola, Leonidas/0000-0003-4990-1064
NR 10
TC 1
Z9 1
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 978-1-5106-0014-0
J9 PROC SPIE
PY 2016
VL 9779
AR 97790C
DI 10.1117/12.2219851
PG 9
WC Materials Science, Multidisciplinary; Optics
SC Materials Science; Optics
GA BE9JJ
UT WOS:000377659400007
ER
PT S
AU Narasimhan, A
Grzeskowiak, S
Ostrander, J
Schad, J
Rebeyev, E
Neisser, M
Ocola, LE
Denbeaux, G
Brainard, RL
AF Narasimhan, Amrit
Grzeskowiak, Steven
Ostrander, Jonathan
Schad, Jonathon
Rebeyev, Eliran
Neisser, Mark
Ocola, Leonidas E.
Denbeaux, Greg
Brainard, Robert L.
BE Hohle, CK
Younkin, TR
TI Studying Electron-PAG Interactions using Electron-Induced Fluorescence
SO ADVANCES IN PATTERNING MATERIALS AND PROCESSES XXXIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Patterning Materials and Processes XXXIII
CY FEB 22-25, 2016
CL San Jose, CA
SP SPIE, Tokyo Ohka Kogyo Co
DE EUV; electrons; PAG; internal excitation; fluorescence
ID POLYSTYRENE; SPECTROSCOPY; ULTRAVIOLET
AB In extreme ultraviolet (EUV) lithography, 92 eV photons are used to expose photoresists. Typical EUV resists are organic-based and chemically amplified using photoacid generators (PAGs). Upon exposure, PAGs produce acids which catalyze reactions that result in changes in solubility. In EUV lithography, photo-and secondary electrons (energies of 1080 eV) play a large role in PAG acid-production. Several mechanisms for electron-PAG interactions (e.g. electron trapping, and hole-initiated chemistry) have been proposed. The aim of this study is to explore another mechanism - internal excitation - in which a bound PAG electron can be excited by receiving energy from another energetic electron, causing a reaction that produces acid.
This paper explores the mechanism of internal excitation through the analogous process of electron-induced fluorescence, in which an electron loses energy by transferring that energy to a molecule and that molecule emits a photon rather than decomposing. We will show and quantify electron-induced fluorescence of several fluorophores in polymer films to mimic resist materials, and use this information to refine our proposed mechanism. Relationships between the molecular structure of fluorophores and fluorescent quantum yield may aid in the development of novel PAGs for EUV lithography.
C1 [Narasimhan, Amrit; Grzeskowiak, Steven; Ostrander, Jonathan; Schad, Jonathon; Rebeyev, Eliran; Denbeaux, Greg; Brainard, Robert L.] SUNY Polytech Inst, Coll Nanoscale Sci & Engn, 257 Fuller Rd, Albany, NY 12203 USA.
[Neisser, Mark] SUNY Polytech Inst SEMATECH, 257 Fuller Rd, Albany, NY 12203 USA.
[Ocola, Leonidas E.] Argonne Natl Lab, 9700 S Cass Ave, Lemont, IL 60439 USA.
RP Narasimhan, A (reprint author), SUNY Polytech Inst, Coll Nanoscale Sci & Engn, 257 Fuller Rd, Albany, NY 12203 USA.
EM rbrainard@sunypoly.edu
OI Ocola, Leonidas/0000-0003-4990-1064
NR 22
TC 1
Z9 1
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 978-1-5106-0014-0
J9 PROC SPIE
PY 2016
VL 9779
AR 97790F
DI 10.1117/12.2219850
PG 16
WC Materials Science, Multidisciplinary; Optics
SC Materials Science; Optics
GA BE9JJ
UT WOS:000377659400010
ER
PT S
AU Shaw, S
Miller, KJ
Colaux, JL
Cademartiri, L
AF Shaw, Santosh
Miller, Kyle J.
Colaux, Julien L.
Cademartiri, Ludovico
BE Hohle, CK
Younkin, TR
TI Optics-free lithography on colloidal nanocrystal assemblies
SO ADVANCES IN PATTERNING MATERIALS AND PROCESSES XXXIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Patterning Materials and Processes XXXIII
CY FEB 22-25, 2016
CL San Jose, CA
SP SPIE, Tokyo Ohka Kogyo Co
DE colloids; nanoparticles; plasma; optics-free; lithography; nanocrystal
plasma polymerization; self-assembly
ID FILMS
AB We describe a lithographic approach - Nanocrystal Plasma Polymerization (NPP)-based lithography (Figure 1) - where colloidal nanocrystal assemblies (CNAs) are used as the resist and, potentially, the active material. The patterning process is based on a change in the dispersibility of the CNAs in solvents as a result of the exposure to plasmas. Plasmas can etch the capping ligands from the exposed area. During the development step, the unexposed area of CNAs are redispersed leaving behind the patterned area.
C1 [Shaw, Santosh; Miller, Kyle J.; Cademartiri, Ludovico] Iowa State Univ Sci & Technol, Dept Mat Sci & Engn, 2240 Hoover Hall, Ames, IA 50011 USA.
[Colaux, Julien L.] Univ Surrey, Ion Beam Ctr, Guildford GU2 7XH, Surrey, England.
[Cademartiri, Ludovico] US DOE, Ames Lab, Ames, IA 50011 USA.
RP Cademartiri, L (reprint author), Iowa State Univ Sci & Technol, Dept Mat Sci & Engn, 2240 Hoover Hall, Ames, IA 50011 USA.; Cademartiri, L (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA.
EM lcademar@iastate.edu
RI Cademartiri, Ludovico/A-4142-2008
OI Cademartiri, Ludovico/0000-0001-8805-9434
NR 10
TC 1
Z9 1
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 978-1-5106-0014-0
J9 PROC SPIE
PY 2016
VL 9779
AR 97791J
DI 10.1117/12.2218792
PG 7
WC Materials Science, Multidisciplinary; Optics
SC Materials Science; Optics
GA BE9JJ
UT WOS:000377659400041
ER
PT J
AU Sopori, B
Devayajanam, S
Basnyat, P
AF Sopori, Bhushan
Devayajanam, Srinivas
Basnyat, Prakash
TI Surface characteristics and damage distributions of diamond wire sawn
wafers for silicon solar cells
SO AIMS MATERIALS SCIENCE
LA English
DT Article
DE sawing damage; diamond wire sawing; silicon wafers
AB This paper describes surface characteristics, in terms of its morphology, roughness and near-surface damage of Si wafers cut by diamond wire sawing (DWS) of Si ingots under different cutting conditions. Diamond wire sawn Si wafers exhibit nearly-periodic surface features of different spatial wavelengths, which correspond to kinematics of various movements during wafering, such as ingot feed, wire reciprocation, and wire snap. The surface damage occurs in the form of frozen-in dislocations, phase changes, and microcracks. The in-depth damage was determined by conventional methods such as TEM, SEM and angle-polishing/defect-etching. However, because these methods only provide local information, we have also applied a new technique that determines average damage depth over a large area. This technique uses sequential measurement of the minority carrier lifetime after etching thin layers from the surfaces. The lateral spatial damage variations, which seem to be mainly related to wire reciprocation process, were observed by photoluminescence and minority carrier lifetime mapping. Our results show a strong correlation of damage depth on the diamond grit size and wire usage.
C1 [Sopori, Bhushan; Devayajanam, Srinivas; Basnyat, Prakash] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Devayajanam, Srinivas; Basnyat, Prakash] New Jersey Inst Technol, Newark, NJ 07102 USA.
RP Sopori, B (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM bhushan.sopori@nrel.gov
NR 20
TC 0
Z9 0
U1 10
U2 11
PU AMER INST MATHEMATICAL SCIENCES-AIMS
PI SPRINGFIELD
PA PO BOX 2604, SPRINGFIELD, MO 65801-2604 USA
SN 2372-0468
EI 2372-0484
J9 AIMS MATER SCI
JI AIMS Mater. Sci.
PY 2016
VL 3
IS 2
BP 669
EP 685
DI 10.3934/matersci.2016.2.669
PG 17
WC Materials Science, Multidisciplinary
SC Materials Science
GA DO3PG
UT WOS:000377692900024
ER
PT J
AU Xiang, Z
Ni, BB
Zhou, C
Zou, ZY
Gu, XD
Zhao, ZY
Zhang, XG
Zhang, XX
Zhang, SY
Li, XL
Zuo, PB
Spence, H
Reeves, G
AF Xiang, Zheng
Ni, Binbin
Zhou, Chen
Zou, Zhengyang
Gu, Xudong
Zhao, Zhengyu
Zhang, Xianguo
Zhang, Xiaoxin
Zhang, Shenyi
Li, Xinlin
Zuo, Pingbing
Spence, Harlan
Reeves, Geoffrey
TI Multi-satellite simultaneous observations of magnetopause and
atmospheric losses of radiation belt electrons during an intense solar
wind dynamic pressure pulse
SO ANNALES GEOPHYSICAE
LA English
DT Article
DE Magnetospheric physics (energetic particles precipitating;
magnetospheric configuration and dynamics); space plasma physics
(wave-particle interactions)
ID DIFFUSE AURORAL PRECIPITATION; VAN-ALLEN RADIATION; RELATIVISTIC
ELECTRONS; GEOMAGNETIC STORMS; MAGNETIC STORM; EMIC WAVES; RESONANT
SCATTERING; INNER MAGNETOSPHERE; MAGNETOSONIC WAVES; LOSS MECHANISMS
AB Radiation belt electron flux dropouts are a kind of drastic variation in the Earth's magnetosphere, understanding of which is of both scientific and societal importance. Using electron flux data from a group of 14 satellites, we report multi-satellite simultaneous observations of magnetopause and atmospheric losses of radiation belt electrons during an event of intense solar wind dynamic pressure pulse. When the pulse occurred, magnetopause and atmospheric loss could take effect concurrently contributing to the electron flux dropout. Losses through the magnetopause were observed to be efficient and significant at L greater than or similar to 5, owing to the magnetopause intrusion into L similar to 6 and outward radial diffusion associated with sharp negative gradient in electron phase space density. Losses to the atmosphere were directly identified from the precipitating electron flux observations, for which pitch angle scattering by plasma waves could be mainly responsible. While the convection and substorm injections strongly enhanced the energetic electron fluxes up to hundreds of keV, they could delay other than avoid the occurrence of electron flux dropout at these energies. It is demonstrated that the pulse-time radiation belt electron flux dropout depends strongly on the specific interplanetary and magnetospheric conditions and that losses through the magnetopause and to the atmosphere and enhancements of substorm injection play an essential role in combination, which should be incorporated as a whole into future simulations for comprehending the nature of radiation belt electron flux dropouts.
C1 [Xiang, Zheng; Ni, Binbin; Zhou, Chen; Zou, Zhengyang; Gu, Xudong; Zhao, Zhengyu] Wuhan Univ, Sch Elect Informat, Dept Space Phys, Wuhan 430072, Hubei, Peoples R China.
[Xiang, Zheng; Ni, Binbin; Zhang, Xianguo; Zhang, Shenyi; Zuo, Pingbing] Chinese Acad Sci, Natl Space Sci Ctr, State Key Lab Space Weather, Beijing, Peoples R China.
[Zhang, Xiaoxin] China Meteorol Adm, Natl Space Weather Monitoring & Warning Ctr, Beijing, Peoples R China.
[Li, Xinlin] Univ Colorado, Lab Atmospher & Space Phys, Boulder, CO 80309 USA.
[Spence, Harlan] Univ New Hampshire, Inst Study Earth Oceans & Space, Durham, NH 03824 USA.
[Spence, Harlan] Univ New Hampshire, Dept Phys, Durham, NH 03824 USA.
[Reeves, Geoffrey] Los Alamos Natl Lab, Space Sci & Applicat Grp, Los Alamos, NM USA.
RP Xiang, Z; Ni, BB (reprint author), Wuhan Univ, Sch Elect Informat, Dept Space Phys, Wuhan 430072, Hubei, Peoples R China.; Xiang, Z; Ni, BB (reprint author), Chinese Acad Sci, Natl Space Sci Ctr, State Key Lab Space Weather, Beijing, Peoples R China.
EM xiangzheng@whu.edu.cn; bbni@whu.edu.cn
OI Reeves, Geoffrey/0000-0002-7985-8098
FU NSFC [41204120, 41474141, 41304130, 41574160]; China Postdoctoral
Science Foundation [2013M542051, 2014T70732]; Specialized Research Fund
for State Key Laboratories
FX This work was supported by the NSFC grants 41204120, 41474141, 41304130
and 41574160, from the Projects funded by China Postdoctoral Science
Foundation (2013M542051 and 2014T70732), and from the Project Supported
by the Specialized Research Fund for State Key Laboratories. Binbin Ni
thanks China Meteorological Administration and National Space Science
Center for providing FengYun flux data. The authors acknowledge Daniel
Baker, J. Bernard Blake and the ECT team for providing Van Allen Probes
REPT and MagEIS data and acknowledge Craig Kletzing and the EMIFISIS
team for providing Van Allen Probes EMFISIS data. The authors also thank
the reviewers for valuable comments and constructive suggestions.
NR 74
TC 1
Z9 1
U1 2
U2 4
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 2016
VL 34
IS 5
BP 493
EP 509
DI 10.5194/angeo-34-493-2016
PG 17
WC Astronomy & Astrophysics; Geosciences, Multidisciplinary; Meteorology &
Atmospheric Sciences
SC Astronomy & Astrophysics; Geology; Meteorology & Atmospheric Sciences
GA DO3JP
UT WOS:000377678200001
ER
PT J
AU Newman, JF
Klein, PM
Wharton, S
Sathe, A
Bonin, TA
Chilson, PB
Muschinski, A
AF Newman, Jennifer F.
Klein, Petra M.
Wharton, Sonia
Sathe, Ameya
Bonin, Timothy A.
Chilson, Phillip B.
Muschinski, Andreas
TI Evaluation of three lidar scanning strategies for turbulence
measurements
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID BOUNDARY-LAYER; WIND LIDARS; DOPPLER LIDAR; SENSITIVITY; SIMULATION;
ERROR
AB Several errors occur when a traditional Doppler beam swinging (DBS) or velocity-azimuth display (VAD) strategy is used to measure turbulence with a lidar. To mitigate some of these errors, a scanning strategy was recently developed which employs six beam positions to independently estimate the u, v, and w velocity variances and covariances. In order to assess the ability of these different scanning techniques to measure turbulence, a Halo scanning lidar, WindCube v2 pulsed lidar, and ZephIR continuous wave lidar were deployed at field sites in Oklahoma and Colorado with collocated sonic anemometers.
Results indicate that the six-beam strategy mitigates some of the errors caused by VAD and DBS scans, but the strategy is strongly affected by errors in the variance measured at the different beam positions. The ZephIR and WindCube lidars overestimated horizontal variance values by over 60% under unstable conditions as a result of variance contamination, where additional variance components contaminate the true value of the variance. A correction method was developed for the WindCube lidar that uses variance calculated from the vertical beam position to reduce variance contamination in the u and v variance components. The correction method reduced WindCube variance estimates by over 20% at both the Oklahoma and Colorado sites under unstable conditions, when variance contamination is largest. This correction method can be easily applied to other lidars that contain a vertical beam position and is a promising method for accurately estimating turbulence with commercially available lidars.
C1 [Newman, Jennifer F.; Klein, Petra M.; Bonin, Timothy A.; Chilson, Phillip B.] Univ Oklahoma, Sch Meteorol, Norman, OK 73019 USA.
[Wharton, Sonia] Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Livermore, CA USA.
[Sathe, Ameya] DTU Wind Energy, Riso Campus, Roskilde, Denmark.
[Chilson, Phillip B.] Univ Oklahoma, Adv Radar Res Ctr, Norman, OK 73019 USA.
[Muschinski, Andreas] NorthWest Res Associates, Boulder, CO USA.
[Newman, Jennifer F.] Natl Renewable Energy Lab, Natl Wind Technol Ctr, Golden, CO USA.
[Bonin, Timothy A.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA.
[Bonin, Timothy A.] NOAA, Earth Syst Res Lab, Boulder, CO USA.
[Sathe, Ameya] DONG Energy, Copenhagen, Denmark.
RP Newman, JF (reprint author), Univ Oklahoma, Sch Meteorol, Norman, OK 73019 USA.; Newman, JF (reprint author), Natl Renewable Energy Lab, Natl Wind Technol Ctr, Golden, CO USA.
EM jennifer.newman@nrel.gov
RI Bonin, Timothy /C-9125-2016; Klein, Petra/G-1894-2012
OI Bonin, Timothy /0000-0001-7679-2890; Klein, Petra/0000-0003-2943-7831
FU Office of Biological and Environmental Research; Laboratory Directed
Research and Development (LDRD) from the Lawrence Livermore National
Laboratory [12-ERD-069]; US Department of Energy, National Nuclear
Security Administration [DE-AC52-07NA27344]
FX The authors would like to thank the staff of the Southern Great Plains
ARM site, Tim Lim from NCAR, Lucas Root from NorthWest Research
Associates, Shiril Tichkule from the University of Colorado at Boulder,
Bruce Bartram and Daniel Wolfe from NOAA/ESRL's Physical Sciences
Division, Marc Fischer and Sebastien Biraud from Lawrence Berkeley
National Laboratory, the Boundary Layer Integrated Sensing and
Simulation group at OU, and the technical support staff at Campbell
Scientific, Leosphere, and Halo Photonics for their assistance during
the experiments. We would also like to acknowledge the efforts of two
reviewers, whose comments and suggestions helped improve the manuscript.
LABLE 2 data were obtained from the Atmospheric Radiation Measurement
(ARM) Climate Research Facility, a US Department of Energy Office of
Science user facility sponsored by the Office of Biological and
Environmental Research. J. F. Newman and S. Wharton received funding
from the Laboratory Directed Research and Development (LDRD) award
number 12-ERD-069 from the Lawrence Livermore National Laboratory.
Livermore National Laboratory is operated by Lawrence Livermore National
Security, LLC, for the US Department of Energy, National Nuclear
Security Administration, under contract DE-AC52-07NA27344.
NR 46
TC 3
Z9 3
U1 7
U2 13
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 2016
VL 9
IS 5
BP 1993
EP 2013
DI 10.5194/amt-9-1993-2016
PG 21
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA DO5XD
UT WOS:000377855300003
ER
PT J
AU Perro, C
Lesins, G
Duck, TJ
Cadeddu, M
AF Perro, Christopher
Lesins, Glen
Duck, Thomas J.
Cadeddu, Maria
TI A microwave satellite water vapour column retrieval for polar winter
conditions
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID INFRARED SOUNDER TEMPERATURE; RADIATIVE-TRANSFER MODEL; OCEAN;
VALIDATION; RADIOMETER; SITE; ICE
AB A new microwave satellite water vapour retrieval for the polar winter atmosphere is presented. The retrieval builds on the work of Miao et al. (2001) and Melsheimer and Heygster (2008), employing auxiliary information for atmospheric conditions and numerical optimization. It was tested using simulated and actual measurements from the Microwave Humidity Sounder (MHS) satellite instruments. Ground truth was provided by the G-band vapour radiometer (GVR) at Barrow, Alaska. For water vapour columns less than 6 kg m(-2), comparisons between the retrieval and GVR result in a root mean square (RMS) deviation of 0.39 kg m(-2) and a systematic bias of 0.08 kg m(-2). These results are compared with RMS deviations and biases at Barrow for the retrieval of Melsheimer and Heygster (2008), the AIRS and MIRS satellite data products, and the ERA-Interim, NCEP, JRA-55, and ASR reanalyses. When applied to MHS measurements, the new retrieval produces a smaller RMS deviation and bias than for the earlier retrieval and satellite data products. The RMS deviations for the new retrieval were comparable to those for the ERA-Interim, JRA-55, and ASR reanalyses; however, the MHS retrievals have much finer horizontal resolution (15 km at nadir) and reveal more structure. The new retrieval can be used to obtain pan-Arctic maps of water vapour columns of unprecedented quality. It may also be applied to measurements from the Special Sensor Microwave/Temperature 2 (SSM/T2), Advanced Microwave Sounding Unit B (AMSU-B), Special Sensor Microwave Imager/Sounder (SSMIS), Advanced Technology Microwave Sounder (ATMS), and Chinese MicroWave Humidity Sounder (MWHS) instruments.
C1 [Perro, Christopher; Lesins, Glen; Duck, Thomas J.] Dalhousie Univ, Halifax, NS, Canada.
[Cadeddu, Maria] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Perro, C (reprint author), Dalhousie Univ, Halifax, NS, Canada.
EM christopher.perro@dal.ca
FU Atmospheric Radiation Measurement (ARM) program
FX The Microwave Surface and Precipitation Products System (MSPPS) provided
the MHS brightness temperatures from NOAA and MetOP series satellites
operated by the National Oceanic and Atmospheric Administration (NOAA)
and the European Organisation for the Exploitation of Meteorological
Satellites (EUMETSAT), respectively. The Satellite Application Facility
for Numerical Weather Prediction (NWP SAF) provided the RTTOV radiative
transfer model. The Atmospheric Radiation Measurement (ARM) program
supported the GVR. The Goddard Earth Sciences Data and Information
Services Center (GES DISC) provided the AIRS data set. ECMWF provided
ERA-Interim data set. The Japan Meteorological Agency (JMA) provided the
JRA-55 data set. NOAA/OAR/ESRL PSD provided the NCEP reanalysis data.
The Polar Meteorology Group from Ohio State University provided the ASR
data set.
NR 25
TC 1
Z9 1
U1 2
U2 5
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 2016
VL 9
IS 5
BP 2241
EP 2252
DI 10.5194/amt-9-2241-2016
PG 12
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA DO5XD
UT WOS:000377855300018
ER
PT J
AU Rivera, MK
Ecke, RE
AF Rivera, Michael K.
Ecke, Robert E.
TI Lagrangian statistics in weakly forced two-dimensional turbulence
SO CHAOS
LA English
DT Article
ID PARTICLE-TRACKING VELOCIMETRY; INVERSE ENERGY CASCADE; PAIR DISPERSION;
DIFFUSION; FLOW; CRITERION; FIELDS
AB Measurements of Lagrangian single-point and multiple-point statistics in a quasi-two-dimensional stratified layer system are reported. The system consists of a layer of salt water over an immiscible layer of Fluorinert and is forced electromagnetically so that mean-squared vorticity is injected at a well-defined spatial scale r(i). Simultaneous cascades develop in which enstrophy flows predominately to small scales whereas energy cascades, on average, to larger scales. Lagrangian correlations and one-and two-point displacements are measured for random initial conditions and for initial positions within topological centers and saddles. Some of the behavior of these quantities can be understood in terms of the trapping characteristics of long-lived centers, the slow motion near strong saddles, and the rapid fluctuations outside of either centers or saddles. We also present statistics of Lagrangian velocity fluctuations using energy spectra in frequency space and structure functions in real space. We compare with complementary Eulerian velocity statistics. We find that simultaneous inverse energy and enstrophy ranges present in spectra are not directly echoed in real-space moments of velocity difference. Nevertheless, the spectral ranges line up well with features of moment ratios, indicating that although the moments are not exhibiting unambiguous scaling, the behavior of the probability distribution functions is changing over short ranges of length scales. Implications for understanding weakly forced 2D turbulence with simultaneous inverse and direct cascades are discussed. (C) 2016 AIP Publishing LLC.
C1 [Rivera, Michael K.] Los Alamos Natl Lab, Condensed Matter & Thermal Phys Grp MPA 10, POB 1663, Los Alamos, NM 87545 USA.
Los Alamos Natl Lab, Ctr NonLinear Studies T CNLS, POB 1663, Los Alamos, NM 87545 USA.
RP Rivera, MK (reprint author), Los Alamos Natl Lab, Condensed Matter & Thermal Phys Grp MPA 10, POB 1663, Los Alamos, NM 87545 USA.
OI Ecke, Robert/0000-0001-7772-5876
FU U.S. Department of Energy [W-7405-ENG-36, DE-AC52-06NA25396]
FX This work was funded by the U.S. Department of Energy under Contract
Nos. W-7405-ENG-36 and DE-AC52-06NA25396 through the Los Alamos LDRD
program. The authors benefited from discussions with W. B. Daniel, P.
Marcus, and N. Ouellette.
NR 58
TC 0
Z9 0
U1 3
U2 4
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 1054-1500
EI 1089-7682
J9 CHAOS
JI Chaos
PD JAN
PY 2016
VL 26
IS 1
AR 013103
DI 10.1063/1.4937163
PG 15
WC Mathematics, Applied; Physics, Mathematical
SC Mathematics; Physics
GA DO3IZ
UT WOS:000377676600003
PM 26826855
ER
PT J
AU Wang, WK
Xu, ZY
Zhang, YC
Wang, H
Zhang, DW
Liu, Y
Li, ZT
AF Wang, Wei-Kun
Xu, Zi-Yue
Zhang, Yun-Chang
Wang, Hui
Zhang, Dan-Wei
Liu, Yi
Li, Zhan-Ting
TI A tristable [2]rotaxane that is doubly gated by foldamer and azobenzene
kinetic barriers
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID MOLECULAR MOTORS; AROMATIC AMIDE; DIMERIZATION; ARCHITECTURES; MACHINES;
MUSCLES; SWITCH
AB A hydrogen bonded foldamer unit and an azobenzene unit have been incorporated into the linear component of a tristable [2]rotaxane to give rise to a doubly gated switching system tuned by the folding-defolding of the foldamer unit and the photo-initiated trans-cis isomerization of the azobenzene unit.
C1 [Wang, Wei-Kun; Xu, Zi-Yue; Zhang, Yun-Chang; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting] Fudan Univ, Dept Chem, Collaborat Innovat Ctr Chem Energy Mat iChEM, 220 Handan Rd, Shanghai 200433, Peoples R China.
[Liu, Yi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, One Cyclotron Rd,MS 67R6110, Berkeley, CA 94720 USA.
RP Wang, H; Li, ZT (reprint author), Fudan Univ, Dept Chem, Collaborat Innovat Ctr Chem Energy Mat iChEM, 220 Handan Rd, Shanghai 200433, Peoples R China.; Liu, Y (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, One Cyclotron Rd,MS 67R6110, Berkeley, CA 94720 USA.
EM wanghui@fudan.edu.cn; yliu@lbl.gov; ztli@fudan.edu.cn
RI Liu, yi/A-3384-2008
OI Liu, yi/0000-0002-3954-6102
FU Ministry of Science and Technology of China [2013CB834501]; Shanghai
Municipal Science and Technology Commission [13M1400200]; National
Science Foundation of China [21432004, 21529201, 21272042]; Ministry of
Education of China Research Fund for the Doctoral Program; Molecular
Foundry; Office of Science, Office of Basic Energy Sciences, of the U.
S. Department of Energy [DE-AC02-05CH11231]
FX We are grateful to the Ministry of Science and Technology of China (No.
2013CB834501), the Shanghai Municipal Science and Technology Commission
(No. 13M1400200), the National Science Foundation of China (No.
21432004, 21529201 and 21272042), and the Ministry of Education of China
Research Fund for the Doctoral Program for financial support. Y. L.
acknowledges the support from the Molecular Foundry, a User Facility
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 32
TC 0
Z9 0
U1 7
U2 12
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
EI 1364-548X
J9 CHEM COMMUN
JI Chem. Commun.
PY 2016
VL 52
IS 47
BP 7490
EP 7493
DI 10.1039/c6cc02110g
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA DO8AG
UT WOS:000378003800014
PM 27203526
ER
PT J
AU Kim, W
McClure, BA
Edri, E
Frei, H
AF Kim, Wooyul
McClure, Beth Anne
Edri, Eran
Frei, Heinz
TI Coupling carbon dioxide reduction with water oxidation in nanoscale
photocatalytic assemblies
SO CHEMICAL SOCIETY REVIEWS
LA English
DT Review
ID METAL CHARGE-TRANSFER; OXYGEN EVOLUTION REACTION; FT-IR SPECTROSCOPY;
BRIDGED HETEROBIMETALLIC COMPLEXES; OXIDE NANOCLUSTER CATALYST;
ELECTRON-TRANSFER DYNAMICS; EARTH-ABUNDANT CATALYSTS; HIGH TURNOVER
FREQUENCY; X-RAY SPECTROSCOPY; IN-SITU FORMATION
AB The reduction of carbon dioxide by water with sunlight in an artificial system offers an opportunity for utilizing non-arable land for generating renewable transportation fuels to replace fossil resources. Because of the very large scale required for the impact on fuel consumption, the scalability of artificial photosystems is of key importance. Closing the photosynthetic cycle of carbon dioxide reduction and water oxidation on the nanoscale addresses major barriers for scalability as well as high efficiency, such as resistance losses inherent to ion transport over macroscale distances, loss of charge and other efficiency degrading processes, or excessive need for the balance of system components, to mention a few. For the conversion of carbon dioxide to six-electron or even more highly reduced liquid fuel products, introduction of a proton conducting, gas impermeable separation membrane is critical. This article reviews recent progress in the development of light absorber-catalyst assemblies for the reduction and oxidation half reactions with focus on well defined polynuclear structures, and on novel approaches for optimizing electron transfer among the molecular or nanoparticulate components. Studies by time-resolved optical and infrared spectroscopy for the understanding of charge transfer processes between the chromophore and the catalyst, and of the mechanism of water oxidation at metal oxide nanocatalysts through direct observation of surface reaction intermediates are discussed. All-inorganic polynuclear units for reducing carbon dioxide by water at the nanoscale are introduced, and progress towards core-shell nanotube assemblies for completing the photosynthetic cycle under membrane separation is described.
C1 [Kim, Wooyul; McClure, Beth Anne; Edri, Eran; Frei, Heinz] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA 94720 USA.
[Kim, Wooyul] Sookmyung Womens Univ, Dept Chem & Biol Engn, Seoul 04310, South Korea.
[McClure, Beth Anne] E&J Gallo Winery, Analyt Serv Lab, Modesto, CA 95354 USA.
RP Frei, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA 94720 USA.
EM hmfrei@lbl.gov
RI Edri, Eran/Q-9801-2016
OI Edri, Eran/0000-0003-4593-6489
FU Office of Science, Office of Basic Energy Sciences, Division of
Chemical, Geological and Biosciences of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX This work was supported by the Director, Office of Science, Office of
Basic Energy Sciences, Division of Chemical, Geological and Biosciences
of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.
NR 206
TC 6
Z9 6
U1 35
U2 64
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 2016
VL 45
IS 11
BP 3221
EP 3243
DI 10.1039/c6cs00062b
PG 23
WC Chemistry, Multidisciplinary
SC Chemistry
GA DP1OT
UT WOS:000378260000010
PM 27121982
ER
PT J
AU Peng, S
Ciais, P
Krinner, G
Wang, T
Gouttevin, I
McGuire, AD
Lawrence, D
Burke, E
Chen, X
Decharme, B
Koven, C
MacDougall, A
Rinke, A
Saito, K
Zhang, W
Alkama, R
Bohn, TJ
Delire, C
Hajima, T
Ji, D
Lettenmaier, DP
Miller, PA
Moore, JC
Smith, B
Sueyoshi, T
AF Peng, S.
Ciais, P.
Krinner, G.
Wang, T.
Gouttevin, I.
McGuire, A. D.
Lawrence, D.
Burke, E.
Chen, X.
Decharme, B.
Koven, C.
MacDougall, A.
Rinke, A.
Saito, K.
Zhang, W.
Alkama, R.
Bohn, T. J.
Delire, C.
Hajima, T.
Ji, D.
Lettenmaier, D. P.
Miller, P. A.
Moore, J. C.
Smith, B.
Sueyoshi, T.
TI Simulated high-latitude soil thermal dynamics during the past 4 decades
SO CRYOSPHERE
LA English
DT Article
ID INTERNATIONAL POLAR YEAR; LAND-SURFACE MODEL; PERMAFROST CARBON;
CLIMATE-CHANGE; VEGETATION DYNAMICS; THAW; VULNERABILITY; TEMPERATURES;
SYSTEM; FLUXES
AB Soil temperature (T-s) change is a key indicator of the dynamics of permafrost. On seasonal and interannual timescales, the variability of T-s determines the active-layer depth, which regulates hydrological soil properties and biogeochemical processes. On the multi-decadal scale, increasing T-s not only drives permafrost thaw/retreat but can also trigger and accelerate the decomposition of soil organic carbon. The magnitude of permafrost carbon feedbacks is thus closely linked to the rate of change of soil thermal regimes. In this study, we used nine process-based ecosystem models with permafrost processes, all forced by different observation-based climate forcing during the period 1960-2000, to characterize the warming rate of T-s in permafrost regions. There is a large spread of T-s trends at 20 cm depth across the models, with trend values ranging from 0.010 +/- 0.003 to 0.031 +/- 0.005 degrees C yr(-1). Most models show smaller increase in T-s with increasing depth. Air temperature (T-a) and longwave downward radiation (LWDR) are the main drivers of T-s trends, but their relative contributions differ amongst the models. Different trends of LWDR used in the forcing of models can explain 61% of their differences in T-s trends, while trends of T a only explain 5% of the differences in T-s trends. Uncertain climate forcing contributes a larger uncertainty in T-s trends (0.021 +/- 0.008 degrees C yr(-1), mean +/- standard deviation) than the uncertainty of model structure (0.012 +/- 0.001 degrees C yr(-1)), diagnosed from the range of response between different models, normalized to the same forcing. In addition, the loss rate of near-surface permafrost area, defined as total area where the maximum seasonal active-layer thickness (ALT) is less than 3m loss rate, is found to be significantly correlated with the magnitude of the trends of T-s at 1m depth across the models (R = -0.85, P = 0.003), but not with the initial total nearsurface permafrost area (R = -0.30, P = -0.438). The sensitivity of the total boreal near-surface permafrost area to T-s at 1m is estimated to be of -2.80 +/- 0.67 million km(2) degrees C-1. Finally, by using two long-term LWDR data sets and relationships between trends of LWDR and T-s across models, we infer an observation-constrained total boreal near-surface permafrost area decrease comprising between 39 +/- 14 x 10(3) and 75 +/- 14 x 10(3) km(2) yr(-1) from 1960 to 2000. This corresponds to 9-18% degradation of the current permafrost area.
C1 [Peng, S.; Krinner, G.; Wang, T.; Gouttevin, I.] UJF Grenoble 1, CNRS, LGGE, F-38041 Grenoble, France.
[Peng, S.; Ciais, P.; Wang, T.] CEA, CNRS, UVSQ, LSCE, F-91191 Gif Sur Yvette, France.
[Gouttevin, I.] UR HHLY, Irstea, 5 Rue Doua,CS 70077, F-69626 Villeurbanne, France.
[McGuire, A. D.] Univ Alaska Fairbanks, US Geol Survey, Alaska Cooperat Fish & Wildlife Res Unit, Fairbanks, AK USA.
[Lawrence, D.] Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA.
[Burke, E.] Met Off Hadley Ctr, FitzRoy Rd, Exeter EX1 3PB, Devon, England.
[Chen, X.; Lettenmaier, D. P.] Univ Washington, Dept Civil & Environm Engn, Seattle, WA 98195 USA.
[Decharme, B.; Alkama, R.; Delire, C.] CNRS, Meteo France, UMR 3589, CNRM,GAME,UMR, 42 avCoriolis, F-31057 Toulouse, France.
[Koven, C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[MacDougall, A.] Univ Victoria, Sch Earth & Ocean Sci, Victoria, BC, Canada.
[Rinke, A.; Ji, D.; Moore, J. C.] Beijing Normal Univ, Coll Global Change & Earth Syst Sci, Beijing 100875, Peoples R China.
[Rinke, A.] Helmholtz Ctr Polar & Marine Res, Alfred Wegener Inst, Potsdam, Germany.
[Saito, K.; Hajima, T.; Sueyoshi, T.] Japan Agcy Marine Earth Sci & Technol, Res Inst Global Change, Yokohama, Kanagawa, Japan.
[Zhang, W.; Miller, P. A.; Smith, B.] Lund Univ, Dept Phys Geog & Ecosyst Sci, Solvegatan 12, S-22362 Lund, Sweden.
[Bohn, T. J.] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ USA.
[Sueyoshi, T.] Natl Inst Polar Res, Tachikawa, Tokyo, Japan.
RP Peng, S (reprint author), UJF Grenoble 1, CNRS, LGGE, F-38041 Grenoble, France.; Peng, S (reprint author), CEA, CNRS, UVSQ, LSCE, F-91191 Gif Sur Yvette, France.
EM shushi.peng@lsce.ipsl.fr
RI Krinner, Gerhard/A-6450-2011; Smith, Benjamin/I-1212-2016; Moore,
John/B-2868-2013; Koven, Charles/N-8888-2014;
OI Krinner, Gerhard/0000-0002-2959-5920; Smith,
Benjamin/0000-0002-6987-5337; Moore, John/0000-0001-8271-5787; Koven,
Charles/0000-0002-3367-0065; Rinke, Annette/0000-0002-6685-9219
FU European Commission [PAGE21, 282700]; National Science Foundation;
French Agence Nationale de la Recherche [ANR-10-CEPL-012-03]
FX This study has been supported by the PAGE21 project, funded by the
European Commission FP7-ENV-2011 ( grant agreement no. 282700), and has
been developed as part of the modeling integration team of the
Permafrost Carbon Network ( PCN, www.permafrostcarbon.org), funded by
the National Science Foundation. Any use of trade, firm, or product
names is for descriptive purposes only and does not imply endorsement by
the US Government. B. Decharme and C. Delire were supported by the
French Agence Nationale de la Recherche under agreement
ANR-10-CEPL-012-03.
NR 66
TC 1
Z9 1
U1 4
U2 13
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1994-0416
EI 1994-0424
J9 CRYOSPHERE
JI Cryosphere
PY 2016
VL 10
IS 1
BP 179
EP 192
DI 10.5194/tc-10-179-2016
PG 14
WC Geography, Physical; Geosciences, Multidisciplinary
SC Physical Geography; Geology
GA DO2IF
UT WOS:000377602600012
ER
PT J
AU Wang, W
Rinke, A
Moore, JC
Cui, X
Ji, D
Li, Q
Zhang, N
Wang, C
Zhang, S
Lawrence, DM
McGuire, AD
Zhang, W
Delire, C
Koven, C
Saito, K
MacDougall, A
Burke, E
Decharme, B
AF Wang, W.
Rinke, A.
Moore, J. C.
Cui, X.
Ji, D.
Li, Q.
Zhang, N.
Wang, C.
Zhang, S.
Lawrence, D. M.
McGuire, A. D.
Zhang, W.
Delire, C.
Koven, C.
Saito, K.
MacDougall, A.
Burke, E.
Decharme, B.
TI Diagnostic and model dependent uncertainty of simulated Tibetan
permafrost area
SO CRYOSPHERE
LA English
DT Article
ID EARTH SYSTEM MODEL; CLIMATE-CHANGE; PLATEAU; CHINA; VEGETATION; SNOW;
DEGRADATION; DYNAMICS; SCHEME; CARBON
AB We perform a land-surface model intercomparison to investigate how the simulation of permafrost area on the Tibetan Plateau (TP) varies among six modern stand-alone land-surface models (CLM4.5, CoLM, ISBA, JULES, LPJ-GUESS, UVic). We also examine the variability in simulated permafrost area and distribution introduced by five different methods of diagnosing permafrost (from modeled monthly ground temperature, mean annual ground and air temperatures, air and surface frost indexes). There is good agreement (99 to 135 x 10(4) km(2)) between the two diagnostic methods based on air temperature which are also consistent with the observation-based estimate of actual permafrost area (101 x 10(4) km(2)). However the uncertainty (1 to 128 x 10(4) km(2)) using the three methods that require simulation of ground temperature is much greater. Moreover simulated permafrost distribution on the TP is generally only fair to poor for these three methods (diagnosis of permafrost from monthly, and mean annual ground temperature, and surface frost index), while permafrost distribution using air-temperature-based methods is generally good. Model evaluation at field sites highlights specific problems in process simulations likely related to soil texture specification, vegetation types and snow cover. Models are particularly poor at simulating permafrost distribution using the definition that soil temperature remains at or below 0 degrees C for 24 consecutive months, which requires reliable simulation of both mean annual ground temperatures and seasonal cycle, and hence is relatively demanding. Although models can produce better permafrost maps using mean annual ground temperature and surface frost index, analysis of simulated soil temperature profiles reveals substantial biases. The current generation of land-surface models need to reduce biases in simulated soil temperature profiles before reliable contemporary permafrost maps and predictions of changes in future permafrost distribution can be made for the Tibetan Plateau.
C1 [Wang, W.; Rinke, A.; Moore, J. C.; Ji, D.] Beijing Normal Univ, Coll Global Change & Earth Syst Sci, Beijing 100875, Peoples R China.
[Rinke, A.] Helmholtz Ctr Polar & Marine Res, Alfred Wegener Inst, Potsdam, Germany.
[Cui, X.] Beijing Normal Univ, Sch Syst Sci, Beijing 100875, Peoples R China.
[Li, Q.; Zhang, N.] Chinese Acad Sci, Inst Atmospher Phys, Beijing, Peoples R China.
[Wang, C.] Lanzhou Univ, Sch Atmospher Sci, Lanzhou 730000, Peoples R China.
[Zhang, S.] NW Univ Xian, Coll Urban & Environm Sci, Xian 710069, Peoples R China.
[Lawrence, D. M.] NCAR, Boulder, CO USA.
[McGuire, A. D.] Univ Alaska, US Geol Survey, Alaska Cooperat Fish & Wildlife Res Unit, Fairbanks, AK 99701 USA.
[Zhang, W.] Lund Univ, Dept Phys Geog & Ecosyst Sci, Lund, Sweden.
[Delire, C.; Decharme, B.] CNRS Meteo France, GAME, Unite Mixte Rech, Toulouse, France.
[Koven, C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Saito, K.] Japan Agcy Marine Earth Sci & Technol, Dept Integrated Climate Change Project Res, Yokohama, Kanagawa, Japan.
[MacDougall, A.] Univ Victoria, Sch Earth & Ocean Sci, Victoria, BC, Canada.
[Burke, E.] Met Off, Hadley Ctr, Exeter, Devon, England.
RP Cui, X (reprint author), Beijing Normal Univ, Sch Syst Sci, Beijing 100875, Peoples R China.
EM xuefeng.cui@bnu.edu.cn
RI Moore, John/B-2868-2013; Koven, Charles/N-8888-2014;
OI Moore, John/0000-0001-8271-5787; Koven, Charles/0000-0002-3367-0065;
Wang, Chenghai/0000-0002-7122-7160; Rinke, Annette/0000-0002-6685-9219
FU Permafrost Carbon Vulnerability Research Coordination Network - National
Science Foundation; Joint UK DECC/Defra Met Office Hadley Centre Climate
Programme [GA01101]; European Union [282700]; National Basic Research
Program of China [2015CB953600]; National Science Foundation of China
[40905047]; National Natural Science Foundation of China [41275003,
41030106]; French Agence Nationale de la Recherche [ANR-10-CEPL-012-03]
FX The data will be made available through the National Snow and Ice Data
Center (NSIDC; http://nsidc.org); the contact person is Kevin Schaefer
(kevin.schaefer@nsidc.org). This study was supported by the Permafrost
Carbon Vulnerability Research Coordination Network, which is funded by
the National Science Foundation. Any use of trade, firm, or product
names is for descriptive purposes only and does not imply endorsement by
the US Government. E. J. Burke was supported by the Joint UK DECC/Defra
Met Office Hadley Centre Climate Programme (GA01101) and the European
Union Seventh Framework Programme (FP7/2007-2013) under grant agreement
no. 282700. This research was also sponsored by the following Chinese
foundations: (1) the National Basic Research Program of China (grant no.
2015CB953600), (2) the National Science Foundation of China (grant no.
40905047), (3) the National Natural Science Foundation of China (grant
no. 41275003), and (4) the National Natural Science Foundation of China
(grant no. 41030106). In addition, B. Decharme and C. Delire were
supported by the French Agence Nationale de la Recherche under agreement
ANR-10-CEPL-012-03.
NR 74
TC 2
Z9 2
U1 6
U2 12
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1994-0416
EI 1994-0424
J9 CRYOSPHERE
JI Cryosphere
PY 2016
VL 10
IS 1
BP 287
EP 306
DI 10.5194/tc-10-287-2016
PG 20
WC Geography, Physical; Geosciences, Multidisciplinary
SC Physical Geography; Geology
GA DO2IF
UT WOS:000377602600018
ER
PT J
AU Harp, DR
Atchley, AL
Painter, SL
Coon, ET
Wilson, CJ
Romanovsky, VE
Rowland, JC
AF Harp, D. R.
Atchley, A. L.
Painter, S. L.
Coon, E. T.
Wilson, C. J.
Romanovsky, V. E.
Rowland, J. C.
TI Effect of soil property uncertainties on permafrost thaw projections: a
calibration-constrained analysis
SO CRYOSPHERE
LA English
DT Article
ID LAND-SURFACE MODEL; 3-PHASE NUMERICAL-MODEL; ACTIVE LAYER;
THERMAL-CONDUCTIVITY; HYDRAULIC CONDUCTIVITY; CLIMATE-CHANGE; ARCTIC
TUNDRA; ORGANIC SOIL; DYNAMICS; REGIONS
AB The effects of soil property uncertainties on permafrost thaw projections are studied using a three-phase subsurface thermal hydrology model and calibration-constrained uncertainty analysis. The null-space Monte Carlo method is used to identify soil hydrothermal parameter combinations that are consistent with borehole temperature measurements at the study site, the Barrow Environmental Observatory. Each parameter combination is then used in a forward projection of permafrost conditions for the 21st century (from calendar year 2006 to 2100) using atmospheric forcings from the Community Earth System Model (CESM) in the Representative Concentration Pathway (RCP) 8.5 greenhouse gas concentration trajectory. A 100-year projection allows for the evaluation of predictive uncertainty (due to soil property (parametric) uncertainty) and the inter-annual climate variability due to year to year differences in CESM climate forcings. After calibrating to measured borehole temperature data at this well-characterized site, soil property uncertainties are still significant and result in significant predictive uncertainties in projected active layer thickness and annual thaw depth-duration even with a specified future climate. Inter-annual climate variability in projected soil moisture content and Stefan number are small. A volume-and time-integrated Stefan number decreases significantly, indicating a shift in subsurface energy utilization in the future climate (latent heat of phase change becomes more important than heat conduction). Out of 10 soil parameters, ALT, annual thaw depth-duration, and Stefan number are highly dependent on mineral soil porosity, while annual mean liquid saturation of the active layer is highly dependent on the mineral soil residual saturation and moderately dependent on peat residual saturation. By comparing the ensemble statistics to the spread of projected permafrost metrics using different climate models, we quantify the relative magnitude of soil property uncertainty to another source of permafrost uncertainty, structural climate model uncertainty. We show that the effect of calibration-constrained uncertainty in soil properties, although significant, is less than that produced by structural climate model uncertainty for this location.
C1 [Harp, D. R.; Atchley, A. L.; Coon, E. T.; Wilson, C. J.; Rowland, J. C.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM USA.
[Painter, S. L.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN USA.
[Romanovsky, V. E.] Univ Alaska Fairbanks, Inst Geophys, Fairbanks, AK USA.
RP Harp, DR (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM USA.
EM dharp@lanl.gov
RI Painter, Scott/C-2586-2016;
OI Painter, Scott/0000-0002-0901-6987; Harp, Dylan/0000-0001-9777-8000;
Atchley, Adam/0000-0003-2203-1994; Romanovsky,
Vladimir/0000-0002-9515-2087
FU Next-Generation Ecosystem Experiments Arctic (NGEE-Arctic) project -
Office of Biological and Environmental Research in the US Department of
Energy Office of Science [DOE ERKP757]; Los Alamos National Laboratory's
Laboratory Directed Research and Development (LDRD) Predicting Climate
Impacts and Feedbacks in the Terrestrial Arctic project
[LDRD201200068DR]
FX This research was supported by the Next-Generation Ecosystem Experiments
Arctic (NGEE-Arctic) project (DOE ERKP757) funded by the Office of
Biological and Environmental Research in the US Department of Energy
Office of Science and Los Alamos National Laboratory's Laboratory
Directed Research and Development (LDRD) Predicting Climate Impacts and
Feedbacks in the Terrestrial Arctic project (LDRD201200068DR).
NR 64
TC 4
Z9 4
U1 3
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 2016
VL 10
IS 1
BP 341
EP 358
DI 10.5194/tc-10-341-2016
PG 18
WC Geography, Physical; Geosciences, Multidisciplinary
SC Physical Geography; Geology
GA DO2IF
UT WOS:000377602600022
ER
PT J
AU Evans, JD
Huang, DM
Haranczyk, M
Thornton, AW
Sumby, CJ
Doonan, CJ
AF Evans, Jack D.
Huang, David M.
Haranczyk, Maciej
Thornton, Aaron W.
Sumby, Christopher J.
Doonan, Christian J.
TI Computational identification of organic porous molecular crystals
SO CRYSTENGCOMM
LA English
DT Article
ID SUPPORT VECTOR MACHINES; DYNAMICS SIMULATIONS; GAS-CHROMATOGRAPHY;
SURFACE-AREA; CAGES; SEPARATION; SELECTIVITY; FRAMEWORKS; GEOMETRY;
NITROGEN
AB Most nanoporous solids, such as metal-organic frameworks and zeolites, are composed of extended three-dimensional covalent or coordination bond networks. Nevertheless, an increasing number of porous molecular crystals have been reported that display surface areas and separation efficiencies rivaling those of conventional porous materials. In this investigation, a geometry-based analysis and molecular simulations were used to screen over 150000 organic molecular crystal structures, resulting in the identification of 481 potential organic porous molecular crystals, a testament to the rarity of these materials. Subsequently, we have computed the surface area and pore dimensions of these structures. This computer-generated database has been used to uncover a number of trends and properties that had not previously been quantified due to the limited number of reported porous molecular crystals. Finally, we have used machine learning to show that the van der Waals surface area and other related descriptors of molecular size are the molecular properties best able to predict a crystal's propensity to form structural voids, which are strong indicators of permanent porosity. We posit that the identified database is a promising resource for discovering candidate structures for gas-separation applications and providing general design guidelines for the production of new porous crystals.
C1 [Evans, Jack D.; Huang, David M.; Thornton, Aaron W.; Sumby, Christopher J.; Doonan, Christian J.] Univ Adelaide, Sch Phys Sci, Ctr Adv Nanomat, Adelaide, SA, Australia.
[Haranczyk, Maciej] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
[Haranczyk, Maciej] IMDEA Mat Inst, C Eric Kandel 2, Madrid 28906, Spain.
[Thornton, Aaron W.] CSIRO Mat Sci & Engn, Clayton, Vic, Australia.
[Evans, Jack D.] PSL Res Univ, Chim ParisTech, CNRS, Inst Rech Chim Paris, F-75005 Paris, France.
RP Evans, JD; Doonan, CJ (reprint author), Univ Adelaide, Sch Phys Sci, Ctr Adv Nanomat, Adelaide, SA, Australia.; Evans, JD (reprint author), PSL Res Univ, Chim ParisTech, CNRS, Inst Rech Chim Paris, F-75005 Paris, France.
EM jack.evans@chimie-paristech.fr; christian.doonan@adelaide.edu.au
RI Huang, David/E-6830-2010;
OI Huang, David/0000-0003-2048-4500; Sumby,
Christopher/0000-0002-9713-9599; Evans, Jack/0000-0001-9521-2601
FU Science and Industry Endowment Fund (SIEF); Computational and Simulation
Sciences Transformational Capability Platform at the CSIRO; U.S.
Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences and Biosciences [DE-FG02-12ER16362]; U.S.
Department of Energy [DE-AC02-05CH11231]; Australian Research Council
[FT100100400, FT0991910]
FX This research is supported by the Science and Industry Endowment Fund
(SIEF). JDE and AWT acknowledge the Computational and Simulation
Sciences Transformational Capability Platform at the CSIRO for funding
and resources. MH 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. Lawrence Berkeley National
Laboratory is funded by the U.S. Department of Energy under award
DE-AC02-05CH11231. CJD and CJS would like to acknowledge the Australian
Research Council for funding FT100100400 and FT0991910, respectively.
NR 50
TC 4
Z9 4
U1 8
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 2016
VL 18
IS 22
BP 4133
EP 4141
DI 10.1039/c6ce00064a
PG 9
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA DO8AY
UT WOS:000378005600024
ER
PT J
AU Oyola, Y
Dai, S
AF Oyola, Yatsandra
Dai, Sheng
TI High surface-area amidoxime-based polymer fibers co-grafted with various
acid monomers yielding increased adsorption capacity for the extraction
of uranium from seawater
SO DALTON TRANSACTIONS
LA English
DT Article
ID METAL-IONS; ADSORBENT; RECOVERY; PRECONCENTRATION; SORPTION
AB Uranium is dissolved in the ocean at a uniform concentration of 3.34 ppb, which translates to approximately 4-5 billion tons of uranium. The development of adsorbents that can extract uranium from seawater has been a long term goal, but the extremely dilute uranium concentration along with the competition of other metal salts (which are at higher concentrations) has hindered the development of an economical adsorption process. Several acid monomers were co-grafted with acrylonitrile (AN) to help increase the hydrophilicity of the adsorbent to improve access to the metal adsorption sites. Grafting various acid monomers on PE fibers was found to significantly affect the uranium adsorption in simulated seawater in the following order: acrylic acid (AA) < vinyl sulfonic acid (VSA) < methacrylic acid (MAA) < itaconic acid (ITA) < vinyl phosphonic acid (VPA). Interestingly, the uranium adsorption capacity significantly increased when Mohr's salt was added with acrylic acid, most likely due to the reduction of co-polymerization of the monomers. When testing under more realistic conditions, the acid-grafted PE fiber adsorbents were exposed to natural seawater (more dilute uranium), the uranium adsorption capacity increased in the following order: MAA < AA (Mohr's salt) < VSA < ITA (Mohr's salt) < ITA < VPA, which agreed well with the simulated seawater results. Characterization of the adsorbents indicated that the increase in uranium adsorption capacity with each acid monomer was related to higher grafting of AN and therefore a higher conversion to amidoxime (AO).
C1 [Oyola, Yatsandra; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, POB 2008, Oak Ridge, TN 37831 USA.
RP Oyola, Y (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008, Oak Ridge, TN 37831 USA.
EM y.oyola@me.com
RI Dai, Sheng/K-8411-2015
OI Dai, Sheng/0000-0002-8046-3931
FU U.S. Department of Energy, Office of Nuclear Energy; U.S. Department of
Energy [DE-AC05-00OR22725]; U.S. government [DE-AC05-00OR22725]
FX Research sponsored by the U.S. Department of Energy, Office of Nuclear
Energy and performed at Oak Ridge National Laboratory, managed by
UT-Battelle, LLC, for the U.S. Department of Energy under contract
DE-AC05-00OR22725. This publication has been authored by a contractor of
the U.S. government under contract no. DE-AC05-00OR22725. 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. We thank Dr Gary Gill for
exposing our adsorbents to seawater at the Pacific Northwest National
Laboratory in Sequim, WA. We also thank Dr Seko and Dr Tamada of JAEA,
Takasaki, Japan for their insightful conversations and for kindly
donating the Japan Atomic Energy Agency (JAEA) uranium adsorbent
material for testing.
NR 39
TC 3
Z9 3
U1 6
U2 13
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 2016
VL 45
IS 21
BP 8824
EP 8834
DI 10.1039/c6dt01114d
PG 11
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DO6VF
UT WOS:000377920900023
PM 27145863
ER
PT J
AU Mehio, N
Ivanov, AS
Williams, NJ
Mayes, RT
Bryantsev, VS
Hancock, RD
Dai, S
AF Mehio, Nada
Ivanov, Alexander S.
Williams, Neil J.
Mayes, Richard T.
Bryantsev, Vyacheslav S.
Hancock, Robert D.
Dai, Sheng
TI Quantifying the binding strength of salicylaldoxime-uranyl complexes
relative to competing salicylaldoxime-transition metal ion complexes in
aqueous solution: a combined experimental and computational study
SO DALTON TRANSACTIONS
LA English
DT Article
ID CRYSTAL-STRUCTURES; METHACRYLIC-ACID; SEA-WATER; URANIUM; SEAWATER;
AMIDOXIME; EXTRACTION; RECOVERY; CONSTANTS; DENSITY
AB The design of new ligands and investigation of UO22+ complexations are an essential aspect of reducing the cost of extracting uranium from seawater, improving the sorption efficiency for uranium and the selectivity for uranium over competing ions (such as the transition metal cations). The binding strengths of salicylaldoxime-UO22+ complexes were quantified for the first time and compared with the binding strengths of salicylic acid-UO22+ and representative amidoxime-UO22+ complexes. We found that the binding strengths of salicylaldoxime-UO22+ complexes are similar to 2-4 log beta(2) units greater in magnitude than their corresponding salicylic acid-UO22+ and representative amidoxime-UO22+ complexes; moreover, the selectivity of salicylaldoxime towards the UO22+ cation over competing Cu2+ and Fe3+ cations is far greater than those reported for salicylic acid and glutarimidedioxime in the literature. The higher UO22+ selectivity can likely be attributed to the different coordination modes observed for salicylaldoxime-UO22+ and salicylaldoxime-transition metal complexes. Density functional theory calculations indicate that salicylaldoxime can coordinate with UO22+ as a dianion species formed by eta(2) coordination of the aldoximate and monodentate binding of the phenolate group. In contrast, salicylaldoxime coordinates with transition metal cations as a monoanion species via a chelate formed between phenolate and the oxime N; the complexes are stabilized via hydrogen bonding interactions between the oxime OH group and phenolate. By coupling the experimentally determined thermodynamic constants and the results of theoretical computations, we are able to derive a number of ligand design principles to further improve the UO22+ cation affinity, and thus further increase the selectivity of salicylaldoxime derivatives.
C1 [Mehio, Nada; Williams, Neil J.; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Ivanov, Alexander S.; Williams, Neil J.; Mayes, Richard T.; Bryantsev, Vyacheslav S.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Hancock, Robert D.] Univ N Carolina, Dept Chem & Biochem, Wilmington, NC 28403 USA.
RP Dai, S (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.; Mayes, RT; Bryantsev, VS; Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM mayesrt@ornl.gov; bryantsevv@ornl.gov; dais@ornl.gov
RI Ivanov, Alexander/K-4769-2014; Dai, Sheng/K-8411-2015; Bryantsev,
Vyacheslav/M-5111-2016
OI Ivanov, Alexander/0000-0002-8193-6673; Dai, Sheng/0000-0002-8046-3931;
Bryantsev, Vyacheslav/0000-0002-6501-6594
FU US Department of Energy, Office of Nuclear Energy [DE-AC05-00OR22725];
Oak Ridge National Laboratory; Office of Science of the U.S. Department
of Energy [DE-AC02-05CH11231]
FX This work was sponsored by the US Department of Energy, Office of
Nuclear Energy, under Contract DE-AC05-00OR22725 with Oak Ridge National
Laboratory, managed by UT-Battelle, LLC. This research used resources of
the National Energy Research Scientific Computing Center, a DOE Office
of Science User Facility supported by the Office of Science of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231.
NR 68
TC 2
Z9 2
U1 4
U2 9
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 2016
VL 45
IS 22
BP 9051
EP 9064
DI 10.1039/c6dt00116e
PG 14
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DO6RM
UT WOS:000377911000006
PM 26979403
ER
PT J
AU Bachman, JE
Long, JR
AF Bachman, Jonathan E.
Long, Jeffrey R.
TI Plasticization-resistant Ni-2(dobdc)/polyimide composite membranes for
the removal of CO2 from natural gas
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; MIXED-MATRIX MEMBRANES; HOLLOW-FIBER
MEMBRANES; CO2/CH4 SEPARATION; CARBON-DIOXIDE; POLYIMIDE MEMBRANES;
GLASSY-POLYMERS; PERMEATION; ADSORPTION; TRANSPORT
AB We demonstrate that the incorporation of Ni-2(dobdc) metal-organic framework nanocrystals into various polyimides can improve the performance of membranes for separating CO2 from CH4 under mixed-gas conditions. Four upper-bound 6FDA-based polyimides, as well as the commercial polymer Matrimid (R), show improved selectivity under mixed-gas feeds when loaded with 15-25 wt% Ni-2(dobdc), while the neat polyimides show diminishing selectivity upon increasing feed pressure. This approach presents an alternative to chemical crosslinking for achieving plasticization resistance, with the added benefit of retaining or increasing permeability while simultaneously reducing chain mobility.
C1 [Bachman, Jonathan E.; Long, Jeffrey R.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Long, Jeffrey R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Long, Jeffrey R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Long, JR (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.; Long, JR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Long, JR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
EM jrlong@berkeley.edu
FU Center for Gas Separations Relevant to Clean Energy Technologies, an
Energy Frontier Research Center - U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences [DE-SC0001015]; NSF
FX This research was supported through the Center for Gas Separations
Relevant to Clean Energy Technologies, an Energy Frontier Research
Center funded by the U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences under Award DE-SC0001015. We also thank
the NSF for providing graduate fellowship support for J. E. B., Dr K. R.
Meihaus for editorial assistance, and Dr Z. P. Smith for helpful
discussions.
NR 34
TC 1
Z9 1
U1 20
U2 36
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 2016
VL 9
IS 6
BP 2031
EP 2036
DI 10.1039/c6ee00865h
PG 6
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA DP1IR
UT WOS:000378244200011
ER
PT J
AU Nenon, DP
Christians, JA
Wheeler, LM
Blackburn, JL
Sanehira, EM
Dou, BJ
Olsen, ML
Zhu, K
Berrya, JJ
Luther, JM
AF Nenon, David P.
Christians, Jeffrey A.
Wheeler, Lance M.
Blackburn, Jeffrey L.
Sanehira, Erin M.
Dou, Benjia
Olsen, Michele L.
Zhu, Kai
Berrya, Joseph J.
Luther, Joseph M.
TI Structural and chemical evolution of methylammonium lead halide
perovskites during thermal processing from solution
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID HYBRID SOLAR-CELLS; THIN-FILMS; TRIHALIDE PEROVSKITES; CH3NH3PBI3
PEROVSKITE; CARRIER DYNAMICS; EFFICIENCY; STATE; CRYSTALLIZATION;
TEMPERATURE; PERFORMANCE
AB Following the prominent success of CH3NH3PbI3 in photovoltaics and other optoelectronic applications, focus has been placed on better understanding perovskite crystallization from precursor and intermediate phases in order to facilitate improved crystallinity often desirable for advancing optoelectronic properties. Understanding of stability and degradation is also of critical importance as these materials seek commercial applications. In this study, we investigate the evolution of perovskites formed from targeted precursor chemistries by correlating in situ temperature-dependent X-ray diffraction, thermogravimetric analysis, and mass spectral analysis of the evolved species. This suite of analyses reveals important precursor composition-induced variations in the processes underpinning perovskite formation and degradation. The addition of Cl- leads to widely different precursor evolution and perovskite formation kinetics, and results in significant changes to the degradation mechanism, including suppression of crystalline PbI2 formation and modification of the thermal stability of the perovskite phase. This work highlights the role of perovskite precursor chemistry in both its formation and degradation.
C1 [Nenon, David P.; Christians, Jeffrey A.; Wheeler, Lance M.; Blackburn, Jeffrey L.; Sanehira, Erin M.; Dou, Benjia; Olsen, Michele L.; Zhu, Kai; Berrya, Joseph J.; Luther, Joseph M.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Sanehira, Erin M.] Univ Washington, Dept Elect Engn, Seattle, WA 98195 USA.
[Dou, Benjia] Univ Colorado, Dept Elect Comp & Energy Engn, Boulder, CO 80309 USA.
RP Luther, JM (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM joey.luther@nrel.gov
RI Christians, Jeffrey/G-2519-2013
OI Christians, Jeffrey/0000-0002-6792-9741
FU Laboratory Directed Research and Development program at NREL; hybrid
perovskite solar cell program of the National Center for Photovoltaics -
U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy, Solar Energy Technologies Office [DE-AC36-08-GO28308]; DOE
[DE-AC3608GO28308]; NASA Space Technology Research Fellowship
FX This material is based upon work funded by the Laboratory Directed
Research and Development program at NREL. J. A. C., K. Z., and J. J. B.
acknowledge support from the hybrid perovskite solar cell program of the
National Center for Photovoltaics funded by the U.S. Department of
Energy, Office of Energy Efficiency and Renewable Energy, Solar Energy
Technologies Office under Contract No. DE-AC36-08-GO28308. L. M. W. and
J. L. B. acknowledge the Solar Photochemistry Program, Division of
Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy
Sciences, U.S. Department of Energy (DOE). DOE funding to NREL provided
through grant DE-AC3608GO28308. Support for E. M. S. was provided by the
NASA Space Technology Research Fellowship. D. P. N. acknowledges the
Science Undergraduate Laboratory Internship (SULI) program at NREL.
NR 60
TC 15
Z9 15
U1 19
U2 52
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 2016
VL 9
IS 6
BP 2072
EP 2082
DI 10.1039/c6ee01047d
PG 11
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA DP1IR
UT WOS:000378244200016
ER
PT J
AU Duan, B
Yang, J
Salvador, JR
He, Y
Zhao, B
Wang, SY
Wei, P
Ohuchi, FS
Zhang, WQ
Hermann, RP
Gourdon, O
Mao, SX
Cheng, YW
Wang, CM
Liu, J
Zhai, PC
Tang, XF
Zhang, QJ
Yang, JH
AF Duan, Bo
Yang, Jiong
Salvador, James R.
He, Yang
Zhao, Bo
Wang, Shanyu
Wei, Ping
Ohuchi, Fumio S.
Zhang, Wenqing
Hermann, Raphael P.
Gourdon, Olivier
Mao, Scott X.
Cheng, Yingwen
Wang, Chongmin
Liu, Jun
Zhai, Pengcheng
Tang, Xinfeng
Zhang, Qingjie
Yang, Jihui
TI Electronegative guests in CoSb3
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID THERMOELECTRIC PROPERTIES; TRANSPORT-PROPERTIES; FILLED COSB3;
SKUTTERUDITES; PERFORMANCE; SYSTEM; FIGURE; MERIT; GA
AB Introducing guests into a host framework to form a so called inclusion compound can be used to design materials with new and fascinating functionalities. The vast majority of inclusion compounds have electropositive guests with neutral or negatively charged frameworks. Here, we show a series of electronegative guest filled skutterudites with inverse polarity. The strong covalent guest-host interactions observed for the electronegative group VIA guests, i.e., S and Se, feature a unique localized "cluster vibration'' which significantly influences the lattice dynamics, together with the point-defect scattering caused by element substitutions, resulting in very low lattice thermal conductivity values. The findings of electronegative guests provide a new perspective for guest-filling in skutterudites, and the covalent filler/lattice interactions lead to an unusual lattice dynamics phenomenon which can be used for designing high-efficiency thermoelectric materials and novel functional inclusion compounds with open structures.
C1 [Duan, Bo; Yang, Jiong; Zhao, Bo; Wang, Shanyu; Wei, Ping; Ohuchi, Fumio S.; Yang, Jihui] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA.
[Duan, Bo; Wei, Ping; Zhai, Pengcheng; Tang, Xinfeng; Zhang, Qingjie] Wuhan Univ Technol, State Key Lab Adv Technol Mat Synth & Proc, Wuhan 430070, Peoples R China.
[Yang, Jiong; Zhang, Wenqing] Shanghai Univ, Mat Genome Inst, Shanghai 200444, Peoples R China.
[Salvador, James R.] Gen Motors R&D Ctr, Chem & Mat Syst Lab, Warren, MI 48090 USA.
[He, Yang; Mao, Scott X.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA.
[Hermann, Raphael P.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Gourdon, Olivier] ZS Pharma, Res & Dev, Coppell, TX 75019 USA.
[Cheng, Yingwen; Liu, Jun] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA.
[Wang, Chongmin] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
RP Zhang, WQ (reprint author), Shanghai Univ, Mat Genome Inst, Shanghai 200444, Peoples R China.
EM wqzhang@mail.sic.ac.cn; zhangqj@whut.edu.cn; jihuiy@uw.edu
RI Hermann, Raphael/F-6257-2013; Zhang, Wenqing/K-1236-2012; Yang,
Jiong/K-6330-2014
OI Hermann, Raphael/0000-0002-6138-5624; Yang, Jiong/0000-0002-5862-5981
FU U.S. Department of Energy [DE-EE005432]; GM; National Science Foundation
[1235535]; U.S. Department of Energy, Office of Science, Basic Energy
Sciences, Materials Sciences and Engineering Division; Scientific User
Facilities Division, Office of Basic Energy Sciences, U.S. Department of
Energy; Natural Science Foundation of China [11234012, 51572167];
Program of Shanghai Subject Chief Scientist [16XD1401100]; Program for
Professor of Special Appointment (Eastern Scholar) at Shanghai
Institutions of Higher Learning; National Basic Research Program of
China [2013CB632505]; National Natural Science Foundation of China
[51302205]; China Postdoctoral Science Foundation [2013M531752]; DOE's
Office of Biological and Environmental Research at PNNL; Scientific User
Facilities Division; Office of Basic Energy Sciences; U.S. Department of
Energy
FX This work was supported by U.S. Department of Energy under corporate
agreement DE-EE005432, by GM, and by National Science Foundation under
award number 1235535. R. H. acknowledges support by U.S. Department of
Energy, Office of Science, Basic Energy Sciences, Materials Sciences and
Engineering Division for the neutron diffraction measurements and
analysis work. A portion of this research at ORNL's Spallation Neutron
Source was sponsored by the Scientific User Facilities Division, Office
of Basic Energy Sciences, U.S. Department of Energy. Melanie Kirkham and
Ashfia Huq are acknowledged for assistance during neutron diffraction
data acquisition. W. Z. acknowledges support by Natural Science
Foundation of China under Grant No. 11234012 and No. 51572167, and
support by Program of Shanghai Subject Chief Scientist (No.
16XD1401100). Jiong Yang acknowledges support by the Program for
Professor of Special Appointment (Eastern Scholar) at Shanghai
Institutions of Higher Learning. Q. Z. acknowledges support by National
Basic Research Program of China (No. 2013CB632505), National Natural
Science Foundation of China (No. 51302205), and China Postdoctoral
Science Foundation (No. 2013M531752). The TEM work was conducted in the
William R. Wiley Environmental Molecular Sciences Laboratory, a National
Scientific User Facility sponsored by DOE's Office of Biological and
Environmental Research and located at PNNL.
NR 46
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U1 24
U2 36
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 2016
VL 9
IS 6
BP 2090
EP 2098
DI 10.1039/c6ee00322b
PG 9
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA DP1IR
UT WOS:000378244200018
ER
PT J
AU Needleman, DB
Poindexter, JR
Kurchin, RC
Peters, IM
Wilson, G
Buonassisi, T
AF Needleman, David Berney
Poindexter, Jeremy R.
Kurchin, Rachel C.
Peters, I. Marius
Wilson, Gregory
Buonassisi, Tonio
TI Economically sustainable scaling of photovoltaics to meet climate
targets
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID SILICON SOLAR-CELLS; POWER; INDUSTRY; EFFICIENCIES; DEPLOYMENT;
PATHWAYS; MODULES; GROWTH; ENERGY; PRICE
AB To meet climate targets, power generation capacity from photovoltaics (PV) in 2030 will have to be much greater than is predicted from either steady state growth using today's manufacturing capacity or industry roadmaps. Analysis of whether current technology can scale, in an economically sustainable way, to sufficient levels to meet these targets has not yet been undertaken, nor have tools to perform this analysis been presented. Here, we use bottom-up cost modeling to predict cumulative capacity as a function of technological and economic variables. We find that today's technology falls short in two ways: profits are too small relative to upfront factory costs to grow manufacturing capacity rapidly enough to meet climate targets, and costs are too high to generate enough demand to meet climate targets. We show that decreasing the capital intensity (capex) of PV manufacturing to increase manufacturing capacity and effectively reducing cost (e.g., through higher efficiency) to increase demand are the most effective and least risky ways to address these barriers to scale. We also assess the effects of variations in demand due to hard-to-predict factors, like public policy, on the necessary reductions in cost. Finally, we review examples of redundant technology pathways for crystalline silicon PV to achieve the necessary innovations in capex, performance, and price.
C1 [Needleman, David Berney; Poindexter, Jeremy R.; Kurchin, Rachel C.; Peters, I. Marius; Buonassisi, Tonio] MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
[Wilson, Gregory] Natl Renewable Energy Lab, Natl Ctr Photovolta, Golden, CO 80401 USA.
RP Needleman, DB (reprint author), MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
EM davidbn@alum.mit.edu; buonassisi@mit.edu
FU Engineering Research Center Program of the National Science Foundation;
Office of Energy Efficiency and Renewable Energy of the Department of
Energy (DOE) under NSF [EEC-1041895]; Department of Defense (DoD)
through the National Defense Science & Engineering Graduate (NDSEG)
Fellowship program
FX We thank P. Mints (SPV Market Research), R. Fu, M. Woodhouse, and K.
Horowitz (NREL), D. Weiss and R. Garabedian (First Solar), BJ Stanbery
(Siva Power), and L. Sekaric (U.S. DOE) for fruitful discussions, J. D.
Jenkins (MIT), W. Tumas, N. M. Haegel, P. A. Basore, and S. Kurtz
(NREL), and G. R. Sherman (PACE Financial Services) for critical reading
of the manuscript, and F. Frankel (MIT) for advice regarding formatting
of the figures. This material is based upon work supported by the
Engineering Research Center Program of the National Science Foundation
and the Office of Energy Efficiency and Renewable Energy of the
Department of Energy (DOE) under NSF Cooperative Agreement No.
EEC-1041895. D. Berney Needleman acknowledges the support of the
Department of Defense (DoD) through the National Defense Science &
Engineering Graduate (NDSEG) Fellowship program.
NR 70
TC 0
Z9 0
U1 4
U2 8
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 2016
VL 9
IS 6
BP 2122
EP 2129
DI 10.1039/c6ee00484a
PG 8
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA DP1IR
UT WOS:000378244200021
ER
PT S
AU Efimov, A
AF Efimov, Anatoly
BE Hemmati, H
Boroson, DM
TI Gigabit per second modulation and transmission of a partially coherent
beam through laboratory turbulence
SO FREE-SPACE LASER COMMUNICATION AND ATMOSPHERIC PROPAGATION XXVIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Free-Space Laser Communication and Atmospheric Propagation
XXVIII
CY FEB 15-16, 2016
CL San Francisco, CA
SP SPIE
DE Scintillations; Atmospheric turbulence; Free-Space Optical
Communication; Partially coherent beam; Multimode fiber; Gigabit; Gbps
ID SPATIAL COHERENCE
AB A partially coherent beam (PCB) is modulated at 1 Gbps with pseudorandom bit sequence data stream and propagated through laboratory turbulence. Eye diagrams are measured and compared to those resulting from a fully coherent beam propagated through the same turbulence. Reduced scintillations of the PCB, as measured separately, expectedly result in a higher quality eye as compared to that of a fully coherent beam. Experimental data is supported by numerical modeling. This work demonstrates the feasibility and simplicity of using PCBs for Gbps data rate free-space optical communication through turbulent atmosphere.
C1 [Efimov, Anatoly] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RP Efimov, A (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
OI Efimov, Anatoly/0000-0002-5559-4147
NR 13
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 978-1-62841-974-0
J9 PROC SPIE
PY 2016
VL 9739
AR 97390L
DI 10.1117/12.2208752
PG 6
WC Optics; Physics, Applied
SC Optics; Physics
GA BE9KN
UT WOS:000377708200018
ER
PT J
AU Dafflon, B
Hubbard, S
Ulrich, C
Peterson, J
Wu, YX
Wainwright, H
Kneafsey, TJ
AF Dafflon, Baptiste
Hubbard, Susan
Ulrich, Craig
Peterson, John
Wu, Yuxin
Wainwright, Haruko
Kneafsey, Timothy J.
TI Geophysical estimation of shallow permafrost distribution and properties
in an ice-wedge polygon-dominated Arctic tundra region
SO GEOPHYSICS
LA English
DT Article
ID FREEZING-POINT DEPRESSION; SOIL ORGANIC-CARBON; ELECTRICAL-CONDUCTIVITY;
RESISTIVITY TOMOGRAPHY; GROUND-ICE; CLIMATE-CHANGE; COASTAL-PLAIN;
ACTIVE LAYER; SP-NOV; ALASKA
AB Shallow permafrost distribution and characteristics are important for predicting ecosystem feedbacks to a changing climate over decadal to century timescales because they can drive active layer deepening and land surface deformation, which in turn can significantly affect hydrologic and biogeochemical responses, including greenhouse gas dynamics. As part of the U.S. Department of Energy Next-Generation Ecosystem Experiments-Arctic, we have investigated shallow Arctic permafrost characteristics at a site in Barrow, Alaska, with the objective of improving our understanding of the spatial distribution of shallow permafrost, its associated properties, and its links with landscape microtopography. To meet this objective, we have acquired and integrated a variety of information, including electric resistance tomography data, frequency-domain electromagnetic induction data, laboratory core analysis, petrophysical studies, high-resolution digital surface models, and color mosaics inferred from kite-based landscape imaging. The results of our study provide a comprehensive and high-resolution examination of the distribution and nature of shallow permafrost in the Arctic tundra, including the estimation of ice content, porosity, and salinity. Among other results, porosity in the top 2 m varied between 85% (besides ice wedges) and 40%, and was negatively correlated with fluid salinity. Salinity directly influenced ice and unfrozen water content and indirectly influenced the soil organic matter content. A relatively continuous but depth-variable increase in salinity led to a partially unfrozen saline layer (cryopeg) located below the top of the permafrost. The cryopeg environment could lead to year-round microbial production of greenhouse gases. Results also indicated a covariability between topography and permafrost characteristics including ice-wedge and salinity distribution. In addition to providing insight about the Arctic ecosystem, through integration of lab-based petrophysical results with field data, this study also quantified the key controls on electric resistivity at this Arctic permafrost site, including salinity, porosity, water content, ice content, soil organic matter content, and lithologic properties.
C1 [Dafflon, Baptiste; Hubbard, Susan; Ulrich, Craig; Peterson, John; Wu, Yuxin; Wainwright, Haruko; Kneafsey, Timothy J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Dafflon, B (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
EM bdafflon@lbl.gov; sshubbard@lbl.gov; culrich@lbl.gov;
jepeterson@lbl.gov; ywu3@lbl.gov; hmwainwright@lbl.gov;
tjkneafsey@lbl.gov
RI Hubbard, Susan/E-9508-2010; Wainwright, Haruko/A-5670-2015; Wu,
Yuxin/G-1630-2012; Dafflon, Baptiste/G-2441-2015
OI Wainwright, Haruko/0000-0002-2140-6072; Wu, Yuxin/0000-0002-6953-0179;
FU Office of Biological and Environmental Research in the DOE Office of
Science; [DE-AC02-05CH11231]
FX The Next-Generation Ecosystem Experiments (NGEE Arctic) project is
supported by the Office of Biological and Environmental Research in the
DOE Office of Science. This NGEE-Arctic research is supported through
contract number DE-AC02-05CH11231 to Lawrence Berkeley National
Laboratory. Data sets are available from Dafflon et al. (2015) or by
contacting the authors. Logistical support in Barrow was provided by
UMIAQ, LLC. The authors thank S. Wullschleger (NGEE-Arctic PI, ORNL), N.
Quinn (LBNL) for lending us EM38 tools, A. Kemna (University of Bonn)
for providing 2D complex resistivity imaging codes, C. Tweedie
(University of Texas at El Paso) for providing LiDAR data, C. Tweedie
and S. Vargas (University of Texas at El Paso) for providing advice in
kite-based aerial imaging, A. Kholodov (University of Alaska at
Fairbanks) for his help with field coring efforts, V. Romanovsky
(University of Alaska at Fairbanks) for providing soil temperature data,
and D. Graham (ORNL) for drilling core Z0#146.
NR 94
TC 2
Z9 2
U1 5
U2 10
PU SOC EXPLORATION GEOPHYSICISTS
PI TULSA
PA 8801 S YALE ST, TULSA, OK 74137 USA
SN 0016-8033
EI 1942-2156
J9 GEOPHYSICS
JI Geophysics
PD JAN-FEB
PY 2016
VL 81
IS 1
BP WA247
EP WA263
DI 10.1190/GEO2015-0175.1
PG 17
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA DO6GA
UT WOS:000377880100043
ER
PT J
AU Dou, S
Nakagawa, S
Dreger, D
Ajo-Franklin, J
AF Dou, Shan
Nakagawa, Seiji
Dreger, Douglas
Ajo-Franklin, Jonathan
TI A rock-physics investigation of unconsolidated saline permafrost: P-wave
properties from laboratory ultrasonic measurements
SO GEOPHYSICS
LA English
DT Article
ID SEISMIC TOMOGRAPHY; POROUS-MEDIA; VELOCITY; STRENGTH; POINT; SOILS;
TEMPERATURES; ATTENUATION; CREEP; WATER
AB Saline permafrost is sensitive to thermal disturbances and is prone to subsidence, which renders it a major source of geohazard in Arctic coastal environments. Seismic methods could be used to map and monitor saline permafrost at scales of geotechnical interests because of the ice-content dependencies of seismic properties. We have developed a comprehensive study of the ultrasonic P-wave properties (i.e., velocity and attenuation) of synthetic saline permafrost samples for a range of salinities and temperatures, and measurements conducted on a fine-grained permafrost core obtained from Barrow, Alaska. The resulting data consist of P-wave properties presented as functions of temperature and salinity. Notable observations include the following: P-wave velocities showed marked reductions in the presence of dissolved salts and complex variations resulting from the water-to-ice phase transitions; strong P-wave attenuation was present in the temperature intervals in which the samples were partially frozen. When presented as functions of ice saturation, the data sets lead us to two key findings: (1) neither a purely cementing nor a purely pore-filling model of the pore-scale distributions of ice could adequately fit the observed velocity data and (2) although the velocities increase monotonically with increasing ice saturations, P-wave attenuation reaches a maximum at intermediate ice saturations - contrary to the ordinary expectation of decreasing attenuation with increasing velocities. The observed ice-content dependencies of P-wave properties, along with the implications on the probable pore-scale distributions of ice, provide a valuable basis for rock-physics modeling, which in turn could facilitate seismic characterizations of saline permafrost.
C1 [Dou, Shan; Dreger, Douglas] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.
[Dou, Shan; Nakagawa, Seiji; Ajo-Franklin, Jonathan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth & Environm Sci Area, Energy Geosci Div, Berkeley, CA 94720 USA.
RP Dou, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth & Environm Sci Area, Energy Geosci Div, Berkeley, CA 94720 USA.
EM shandou.seismo@gmail.com; snakagawa@lbl.gov; ddreger@berkeley.edu;
jbajo-franklin@lbl.gov
RI Ajo-Franklin, Jonathan/G-7169-2015; Nakagawa, Seiji/F-9080-2015; Dou,
Shan/H-5085-2016
OI Nakagawa, Seiji/0000-0002-9347-0903; Dou, Shan/0000-0001-5420-8489
FU Office of Biological and Environmental Research in the DOE Office of
Science [DEAC0205CH11231, DE-AC05-00OR22725]
FX As part of the Next-Generation Ecosystem Experiments-Arctic
(NGEE-Arctic) project sponsored by the Office of Biological and
Environmental Research in the DOE Office of Science, this study was
supported through contract DEAC0205CH11231 to the Lawrence Berkeley
National Laboratory and through contract DE-AC05-00OR22725 to the Oak
Ridge National Laboratory. We would like to thank S. Hubbard (Lawrence
Berkeley National Laboratory) and S. Wullschleger (Oak Ridge National
Laboratory) for their leadership within the NGEE-Arctic program. T.
Teague (University of California, Berkeley) and M. Voltolini (Lawrence
Berkeley National Laboratory) assisted in conducting XRPD analysis of
the permafrost core sample. M. Robertson, P. Cook, and J. Erspamer (all
from Lawrence Berkeley National Laboratory) provided substantial
assistance in setting up the measurement system. Last but not least, we
would like to thank the three reviewers - D. Schmitt, M. Prasad, one
anonymous reviewer - and the associate editor J. Bradford for their
constructive reviews and comments.
NR 52
TC 1
Z9 1
U1 3
U2 6
PU SOC EXPLORATION GEOPHYSICISTS
PI TULSA
PA 8801 S YALE ST, TULSA, OK 74137 USA
SN 0016-8033
EI 1942-2156
J9 GEOPHYSICS
JI Geophysics
PD JAN-FEB
PY 2016
VL 81
IS 1
BP WA233
EP WA245
DI 10.1190/GEO2015-0176.1
PG 13
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA DO6GA
UT WOS:000377880100044
ER
PT S
AU Morusupalli, R
Rao, R
Lee, TK
Shen, YL
Kunz, M
Tamura, N
Budiman, AS
AF Morusupalli, Rao
Rao, R.
Lee, Tae-Kyu
Shen, Yu-Lin
Kunz, M.
Tamura, N.
Budiman, A. S.
BE Budiman, AS
Tay, A
Caldwell, A
Aberle, A
Dauskardt, R
TI Critical temperature shift for Stress Induced Voiding in Advanced Cu
Interconnects for 32 nm and beyond
SO INTERNATIONAL CONFERENCE ON MATERIALS FOR ADVANCED TECHNOLOGIES
(ICMAT2015), SYMPOSIUM C - SOLAR PV (PHOTOVOLTAICS) MATERIALS,
MANUFACTURING AND RELIABILITY
SE Procedia Engineering
LA English
DT Proceedings Paper
CT 8th International Conference on Materials for Advanced Technologies
(ICMAT) / Symposium C - Solar PV (Photovoltaics) Materials,
Manufacturing and Reliability / 4th Photonics Global Conference /
Symposium B, N, U, W, Z
CY JUN 28-JUL 03, 2015
CL Suntec, SINGAPORE
DE Copper; Interconnects; Stress Induced Voiding; Stress Migration;
Reliability; Plastic Deformation; Modeling; FEM
ID X-RAY MICRODIFFRACTION; SINGLE-CRYSTAL MULTILAYERS;
MECHANICAL-PROPERTIES; PLASTICITY; NANOSTRUCTURES; FABRICATION; LINES
AB Work showing evidence of a shift in the Stress Migration (SM) peak profile temperature for smaller interconnect linewidths typically associated with the 32 nm technology node and beyond is presented here. With other parameters (fabrication, materials, line thickness and via diameter being kept nominal among all these samples), this clear shift towards the lower temperatures for smaller linewidths appear to indicate a size effect in the Stress Migration in advanced Cu interconnect scheme. The synchrotron x-ray micro-diffraction experiment, is used to show that plasticity is involved in the stress relaxation process at about 200 degrees C, but not at higher temperature nor at room temperature. Such plasticity-assisted strain relaxation in interconnects especially at lower temperature range could explain the critical temperature shift observed in the present study, in addition to the typical diffusion-assisted mechanism. Further, the synchrotron X-ray micro-diffraction experiments also suggests indications of plasticity-assisted voiding. Numerical finite element analyses were also conducted in conjunction with the experimental study, to provide greater insight. The modelling result demonstrates the importance of creep plasticity in causing thermal stress relaxation in Cu interconnects. (C) 2016 The Authors. Published by Elsevier Ltd.
C1 [Morusupalli, Rao; Lee, Tae-Kyu] CISCO Syst, CQT, San Jose, CA 95134 USA.
[Rao, R.] Vitesse Semicond Corp, 741 Calle Plan, Camarillo, CA 93012 USA.
[Shen, Yu-Lin] Univ New Mexico, Dept Mech Engn, Albuquerque, NM 87131 USA.
[Kunz, M.; Tamura, N.] Berkeley Lab, ALS, Berkeley, CA 94720 USA.
[Budiman, A. S.] SUTD, Singapore 487372, Singapore.
RP Budiman, AS (reprint author), SUTD, Singapore 487372, Singapore.
EM suriadi@alumni.stanford.edu
RI Shen, Yu-Lin/C-1942-2008
NR 24
TC 0
Z9 0
U1 3
U2 3
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1877-7058
J9 PROCEDIA ENGINEER
PY 2016
VL 139
BP 32
EP 40
DI 10.1016/j.proeng.2015.09.229
PG 9
WC Energy & Fuels; Engineering, Multidisciplinary
SC Energy & Fuels; Engineering
GA BE9RU
UT WOS:000378108200005
ER
PT S
AU Rengarajan, KN
Radchenko, I
Illya, G
Handara, V
Kunz, M
Tamura, N
Budiman, AS
AF Rengarajan, Karthic Narayanan
Radchenko, Ihor
Illya, Gregoria
Handara, Vincent
Kunz, Martin
Tamura, Nobumichi
Budiman, Arief Suriadi
BE Budiman, AS
Tay, A
Caldwell, A
Aberle, A
Dauskardt, R
TI Low Stress Encapsulants? Influence of Encapsulation Materials on Stress
and Fracture of Thin Silicon Solar Cells as Revealed by Synchrotron
X-ray Submicron Diffraction
SO INTERNATIONAL CONFERENCE ON MATERIALS FOR ADVANCED TECHNOLOGIES
(ICMAT2015), SYMPOSIUM C - SOLAR PV (PHOTOVOLTAICS) MATERIALS,
MANUFACTURING AND RELIABILITY
SE Procedia Engineering
LA English
DT Proceedings Paper
CT 8th International Conference on Materials for Advanced Technologies
(ICMAT) / Symposium C - Solar PV (Photovoltaics) Materials,
Manufacturing and Reliability / 4th Photonics Global Conference /
Symposium B, N, U, W, Z
CY JUN 28-JUL 03, 2015
CL Suntec, SINGAPORE
DE Solar Cell; Silicon Stress; Synchrotron X-ray Micro-Diffraction; Silicon
Cell Fracture
ID SINGLE-CRYSTAL MULTILAYERS; MICRODIFFRACTION; PLASTICITY; CRACKS; WHITE;
BEAM; SI; CU
AB We study the effect of two polymer encapsulations with different material properties such as Young's modulus (E), yield strength etc. on the residual stress of mono-crystalline silicon. We observe through synchrotron X-ray microdiffraction that, solar photovoltaic (PV) module laminated with encapsulants A (soft) and B (stiff) which have Young's modulus of 6.34 and 28.32 MPa respectively, reveals distinct variations in residual stress of silicon. The stress of silicon measured near the solder (stress concentration region), showed a maximum quantitative value of similar to 300 MPa with encapsulant A whereas for the solar PV with encapsulant B, it showed a much higher value of similar to 450 MPa. Further correlation of stress to fracture/crack initiation events of silicon were also understood using three point bending tests. The result shows that with encapsulant A, crack initiation of silicon at a mean force of similar to 1.2 KN is observed whereas for the PV with encapsulant B, silicon cracked at much lower force of similar to 0.3 KN. These studies confirm that encapsulant materials have a significant effect on the residual stress of silicon, which directly affects the working efficiency and reliability of the solar PV. (C) 2016 The Authors. Published by Elsevier Ltd.
C1 [Rengarajan, Karthic Narayanan; Radchenko, Ihor; Budiman, Arief Suriadi] Singapore Univ Technol & Design, Singapore, Singapore.
[Illya, Gregoria; Handara, Vincent] Surya Univ, Ctr Solar Photovolta CPV, Tangerang, Indonesia.
[Kunz, Martin; Tamura, Nobumichi] LBNL, Adv Light Source BL 1232, Berkeley, CA USA.
RP Budiman, AS (reprint author), Singapore Univ Technol & Design, Singapore, Singapore.
EM asbudiman@sutd.edu.sg
NR 28
TC 3
Z9 3
U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1877-7058
J9 PROCEDIA ENGINEER
PY 2016
VL 139
BP 76
EP 86
DI 10.1016/j.proeng.2015.09.230
PG 11
WC Energy & Fuels; Engineering, Multidisciplinary
SC Energy & Fuels; Engineering
GA BE9RU
UT WOS:000378108200011
ER
PT S
AU Tian, T
Morusupalli, R
Shin, H
Son, HY
Byun, KY
Joo, YC
Caramto, R
Smith, L
Shen, YL
Kunz, M
Tamura, N
Budiman, AS
AF Tian, Tian
Morusupalli, R.
Shin, H.
Son, H. -Y.
Byun, K. -Y.
Joo, Y. -C.
Caramto, R.
Smith, L.
Shen, Y-L.
Kunz, M.
Tamura, N.
Budiman, A. S.
BE Budiman, AS
Tay, A
Caldwell, A
Aberle, A
Dauskardt, R
TI On the Mechanical Stresses of Cu Through-Silicon Via (TSV) Samples
Fabricated by SK Hynix vs. SEMATECH - Enabling Robust and Reliable 3-D
Interconnect/Integrated Circuit (IC) Technology
SO INTERNATIONAL CONFERENCE ON MATERIALS FOR ADVANCED TECHNOLOGIES
(ICMAT2015), SYMPOSIUM C - SOLAR PV (PHOTOVOLTAICS) MATERIALS,
MANUFACTURING AND RELIABILITY
SE Procedia Engineering
LA English
DT Proceedings Paper
CT 8th International Conference on Materials for Advanced Technologies
(ICMAT) / Symposium C - Solar PV (Photovoltaics) Materials,
Manufacturing and Reliability / 4th Photonics Global Conference /
Symposium B, N, U, W, Z
CY JUN 28-JUL 03, 2015
CL Suntec, SINGAPORE
DE 3-D interconnects; Cu TSV; X-ray microdiffraction
ID X-RAY MICRODIFFRACTION; SINGLE-CRYSTAL MULTILAYERS; PLASTICITY;
NANOSTRUCTURES; DIFFRACTION; EVOLUTION; LINES; BEAM
AB One of the key enablers for the successful integration of 3-D interconnects using the Through-Silicon Via (TSV) schemes is the control of the mechanical stresses in the Cu TSV itself as well as in the surrounding silicon substrate. The synchrotron-sourced X-ray microdiffraction technique has been recognized to allow some important advantages compared to other techniques in characterization of the mechanical stresses in a TSV sample. This approach have been used to study Cu TSV samples from SK Hynix, Inc. earlier as well as more recently from SEMATECH, and we have found interesting differences in the stress states of the Cu TSV. We proposed a possible explanation of the observed differences. This fundamental understanding could lead to improved stress control and hence reliability in the Cu TSV samples, as well as to reduce its impact to the silicon electron mobility and hence to device performance in general. (C) 2016 The Authors. Published by Elsevier Ltd.
C1 [Tian, Tian] Maxim Integrated, San Jose, CA USA.
[Morusupalli, R.] Cisco Syst, CQT, San Jose, CA 95134 USA.
[Shin, H.; Joo, Y. -C.] Seoul Natl Univ, Dept Mat Sci & Engn, Seoul 151, South Korea.
[Son, H. -Y.; Byun, K. -Y.] Hynix Semicond Inc, R&D Div, PKG Dev Grp, Seoul, South Korea.
[Caramto, R.; Smith, L.] SEMATECH, Albany, NY 12203 USA.
[Shen, Y-L.] Univ New Mexico, Dept Mech Engn, Albuquerque, NM 87131 USA.
[Kunz, M.; Tamura, N.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Budiman, A. S.] Singapore Univ Technol & Design, Singapore 487372, Singapore.
RP Budiman, AS (reprint author), Singapore Univ Technol & Design, Singapore 487372, Singapore.
EM suriadi@alumni.stanford.edu
RI Shen, Yu-Lin/C-1942-2008
NR 39
TC 5
Z9 5
U1 4
U2 4
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1877-7058
J9 PROCEDIA ENGINEER
PY 2016
VL 139
BP 101
EP 111
DI 10.1016/j.proeng.2015.09.242
PG 11
WC Energy & Fuels; Engineering, Multidisciplinary
SC Energy & Fuels; Engineering
GA BE9RU
UT WOS:000378108200014
ER
PT S
AU Tippabhotla, SK
Radchenko, I
Rengarajan, KN
Illya, G
Handara, V
Kunz, M
Tamura, N
Budiman, AS
AF Tippabhotla, Sasi Kumar
Radchenko, Ihor
Rengarajan, Karthic Narayanan
Illya, Gregoria
Handara, Vincent
Kunz, Martin
Tamura, Nobumichi
Budiman, Arief Suriadi
BE Budiman, AS
Tay, A
Caldwell, A
Aberle, A
Dauskardt, R
TI Synchrotron X-ray Micro-diffraction - Probing Stress State in
Encapsulated Thin Silicon Solar Cells
SO INTERNATIONAL CONFERENCE ON MATERIALS FOR ADVANCED TECHNOLOGIES
(ICMAT2015), SYMPOSIUM C - SOLAR PV (PHOTOVOLTAICS) MATERIALS,
MANUFACTURING AND RELIABILITY
SE Procedia Engineering
LA English
DT Proceedings Paper
CT 8th International Conference on Materials for Advanced Technologies
(ICMAT) / Symposium C - Solar PV (Photovoltaics) Materials,
Manufacturing and Reliability / 4th Photonics Global Conference /
Symposium B, N, U, W, Z
CY JUN 28-JUL 03, 2015
CL Suntec, SINGAPORE
ID MICRODIFFRACTION; SYSTEMS
AB There has been a strong commercial push towards thinner silicon in the solar photovoltaic (PV) technologies due to the significant cost reduction associated with it. However, in current products made from crystalline solar cell technologies, normal in-plane tensile stress resulting in fracture of silicon cells are observed. To further understand this phenomenon, the synchrotron X-ray micro-diffraction tool was used to perform stress measurements and mapping of the solar cells in the vicinity of the most typically observed crack initiation location, the solder joint. This technique is unique as it has the capabilities to quantitatively determine the stresses and map these stresses with a micron resolution, all while the silicon cells are in encapsulation. A fundamental understanding of the stress magnitudes as well as microstructural characteristics that could lead to crack initiation and propagation could be obtained with this technique. This also confirms that the control of mechanical stress is the key to enable thin silicon solar cell technologies in the coming years. (C) 2016 The Authors. Published by Elsevier Ltd.
C1 [Tippabhotla, Sasi Kumar; Radchenko, Ihor; Rengarajan, Karthic Narayanan; Budiman, Arief Suriadi] Singapore Univ Technol & Design, Singapore, Singapore.
[Illya, Gregoria; Handara, Vincent] Surya Univ, Ctr Solar Photovolta CPV, Tangerang, Indonesia.
[Kunz, Martin; Tamura, Nobumichi] LBNL, Adv Light Source BL 1232, Berkeley, CA USA.
RP Tippabhotla, SK (reprint author), Singapore Univ Technol & Design, Singapore, Singapore.
EM sasi_kumar@mymail.sutd.edu.sg
NR 22
TC 3
Z9 3
U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1877-7058
J9 PROCEDIA ENGINEER
PY 2016
VL 139
BP 123
EP 133
DI 10.1016/j.proeng.2015.09.241
PG 11
WC Energy & Fuels; Engineering, Multidisciplinary
SC Energy & Fuels; Engineering
GA BE9RU
UT WOS:000378108200017
ER
PT J
AU Sames, WJ
List, FA
Pannala, S
Dehoff, RR
Babu, SS
AF Sames, W. J.
List, F. A.
Pannala, S.
Dehoff, R. R.
Babu, S. S.
TI The metallurgy and processing science of metal additive manufacturing
SO INTERNATIONAL MATERIALS REVIEWS
LA English
DT Review
DE Advanced manufacturing; Additive manufacturing review; 3D printing;
Metallurgy
ID LASER MELTING SLM; 316L STAINLESS-STEEL; NET SHAPING LENS; OF-THE-ART;
MECHANICAL-PROPERTIES; INCONEL 718; RESIDUAL-STRESSES; MELTED TI-6AL-4V;
HEAT-TREATMENT; ULTRASONIC CONSOLIDATION
AB Additive manufacturing (AM), widely known as 3D printing, is a method of manufacturing that forms parts from powder, wire or sheets in a process that proceeds layer by layer. Many techniques (using many different names) have been developed to accomplish this via melting or solid-state joining. In this review, these techniques for producing metal parts are explored, with a focus on the science of metal AM: processing defects, heat transfer, solidification, solid-state precipitation, mechanical properties and post-processing metallurgy. The various metal AM techniques are compared, with analysis of the strengths and limitations of each. Only a few alloys have been developed for commercial production, but recent efforts are presented as a path for the ongoing development of new materials for AM processes.
C1 [Sames, W. J.] Texas A&M Univ, Dept Nucl Engn, College Stn, TX 77843 USA.
[Sames, W. J.; List, F. A.; Dehoff, R. R.; Babu, S. S.] Oak Ridge Natl Lab, Mfg Demonstrat Facil, Knoxville, TN USA.
[List, F. A.; Dehoff, R. R.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN USA.
[Pannala, S.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN USA.
[Babu, S. S.] Univ Tennessee, Dept Aerosp & Biomed Engn, Knoxville, TN USA.
RP Sames, WJ (reprint author), Texas A&M Univ, Dept Nucl Engn, College Stn, TX 77843 USA.; Sames, WJ (reprint author), Oak Ridge Natl Lab, Mfg Demonstrat Facil, Knoxville, TN USA.
EM wsames@tamu.edu
RI Dehoff, Ryan/I-6735-2016
OI Dehoff, Ryan/0000-0001-9456-9633
FU U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy, Advanced Manufacturing Office [DE-AC05-00OR22725]; UT-Battelle,
LLC.; U.S. Department of Energy, Office of Nuclear Energy, Nuclear
Energy University Programmes
FX Research sponsored by the U.S. Department of Energy, Office of Energy
Efficiency and Renewable Energy, Advanced Manufacturing Office, under
contract DE-AC05-00OR22725 with UT-Battelle, LLC. This research was also
supported by fellowship funding received from the U.S. Department of
Energy, Office of Nuclear Energy, Nuclear Energy University Programmes.
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 licence to
publish or reproduce the published form of this manuscript, or allow
others to do so, for United States Government purposes.
NR 265
TC 19
Z9 19
U1 71
U2 136
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 0950-6608
EI 1743-2804
J9 INT MATER REV
JI Int. Mater. Rev.
PY 2016
VL 61
IS 5
BP 315
EP 360
DI 10.1080/09506608.2015.1116649
PG 46
WC Materials Science, Multidisciplinary
SC Materials Science
GA DO8TH
UT WOS:000378056200001
ER
PT J
AU Boyle, TJ
Sivonxay, E
AF Boyle, Timothy J.
Sivonxay, Eric
TI Synthesis and characterization of 2-hydroxy-pyridine modified Group 4
alkoxides
SO JOURNAL OF COORDINATION CHEMISTRY
LA English
DT Article
DE Alkoxide; 2-hydroxy pyridine; titanium; zirconium; hafnium
ID MODIFIED TITANIUM ALKOXIDES; NEO-PENTOXIDE PRECURSORS; X-RAY STRUCTURES;
THIN-FILMS; FAMILY; PYRIDINE; COMPLEXES; OXIDE; TIO2
AB The reaction of Group 4 metal alkoxides ([M(OR)(4)]) with the potentially bidentate ligand, 2-hydroxy-pyridine (2-HO-(NC5H4) or H-PyO), led to the isolation of a family of compounds. The products isolated from the reaction of [M(OR)(4)] [where M=Ti, Zr, or Hf; OR=OPri (OCH(CH3)(2)), OBut (OC(CH3)(3)), or ONep (OCH2C(CH3)(3)] under a variety of stoichiometries with H-PyO were identified by single crystal X-ray diffraction as [(OPri)(2)(PyO-kappa(2)(O,N))Ti(mu-OPri)](2) (1), [(ONep)(2)Ti(mu(O)-PyO-kappa(2)(O,N))(2)(mu-ONep)Ti(ONep)(3)] (2), [(ONep)(2)Ti(mu(O)-PyO-kappa(2)(O,N))(eta(1)(N),mu(O)-PyO)(mu-O)Ti(ONep)(2)](2) (2a), [H][(PyO-kappa(2)(O,N))(eta(1)(O)-PyO)Ti(ONep)(3)] (3), [(OR)(2)Zr(mu(O)-PyO-kappa(2)(O,N))(2)(mu-OR)Zr(OR)(3)] (OR=OBut (4), ONep (5)), [(OR)(2)Zr(mu(O,N)-PyO-kappa(2)(O,N))(2)(mu(O,N)-PyO)Zr(OR=OBut (6), ONep (7)), [[(OBut)(2)Zr(mu(O)-PyO-kappa(2)(N,O))(mu(O,N)-PyO)(2)Zr(OBut)](mu(3)-O)](2) (6a), [[(ONep)(PyO-kappa(2)(N,O))Zr(mu(O,N)-PyO-kappa(2)(N,O))(2)(mu(O)-PyO-kappa(2)(N,O))Zr(ONep)](mu(3)-O)](2) (7a), [(OBut)(PyO-kappa(2)(O,N))Zr(mu(O)-PyO-kappa(2)(O,N))(2)((mu(O,N)-PyO)Zr(OBut)(3)] (8), [(OBut)(2)Hf(mu(O)-PyO-kappa(2)(N,O))(2)(mu-OBut)Hf(OBut)(3)] (9), [(OR)(2)M(mu(O)-PyO-kappa(2)(N,O))(2)(mu(O,N)-PyO)M(OR)(3)] (OR=OBut (10), ONep (11)), and [(ONep)(3)Hf(mu-ONep)(eta(1)(N),mu(O)-PyO)](2)Hf(ONep)(2) (12).tol. The structural diversity of the binding modes of the PyO led to a number of novel structure types in comparison to other pyridine alkoxy derivatives. The majority of compounds adopt a dinuclear arrangement (1, 2, 4-11) but oxo-based tetra- (2a and 7a), tri- (12), and monomers (3) were observed as well. Compounds 1-12 were further characterized using a variety of analytical techniques including Fourier Transform Infrared Spectroscopy, elemental analysis, and multinuclear NMR spectroscopy.
[GRAPHICS]
.
C1 [Boyle, Timothy J.; Sivonxay, Eric] Sandia Natl Labs, Adv Mat Lab, POB 5800, Albuquerque, NM 87185 USA.
RP Boyle, TJ (reprint author), Sandia Natl Labs, Adv Mat Lab, POB 5800, Albuquerque, NM 87185 USA.
EM tjboyle@Sandia.gov
FU Laboratory Directed Research and Development (LDRD) programs at Sandia
National Laboratories; National Science Foundation CRIF : MU award
[CHE04-43580]; U.S. Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]
FX The authors would like to thank the Laboratory Directed Research and
Development (LDRD) programs at Sandia National Laboratories for support
of this program and Prof. Kemp for the grateful use of the Bruker X-ray
diffractometer purchased via the National Science Foundation CRIF : MU
award to the University of New Mexico (CHE04-43580). 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 32
TC 0
Z9 0
U1 5
U2 6
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 0095-8972
EI 1029-0389
J9 J COORD CHEM
JI J. Coord. Chem.
PY 2016
VL 69
IS 9
BP 1419
EP 1438
DI 10.1080/00958972.2016.1183253
PG 20
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DO4PI
UT WOS:000377764800002
ER
PT S
AU Hernandez-Charpak, J
Frazer, T
Knobloch, J
Hoogeboom-Pot, K
Nardi, D
Chao, WL
Jiang, L
Tripp, M
King, S
Kapteyn, H
Murnane, M
AF Hernandez-Charpak, Jorge
Frazer, Travis
Knobloch, Joshua
Hoogeboom-Pot, Kathleen
Nardi, Damiano
Chao, Weilun
Jiang, Lei
Tripp, Marie
King, Sean
Kapteyn, Henry
Murnane, Margaret
BE Sanchez, MI
Ukraintsev, VA
TI Reliable characterization of materials and nanostructured systems <<
50nm using coherent EUV beams
SO METROLOGY, INSPECTION, AND PROCESS CONTROL FOR MICROLITHOGRAPHY XXX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT 30th Conference on Metrology, Inspection, and Process Control for
Microlithography
CY FEB 22-25, 2016
CL San Jose, CA
SP SPIE, Nova Measuring Instruments Inc
DE Ultrafast X-Rays; nanometrology; nano-mechanical properties; ultrathin
films; nondiffusive thermal transport; mean free path spectroscopy;
photoacoustic; photothermal
ID THERMAL-CONDUCTIVITY; THIN-FILMS; X-RAYS; GENERATION; TRANSPORT; LIGHT;
SCATTERING; REGIME; LASERS
AB Coherent extreme ultraviolet beams from tabletop high harmonic generation offer revolutionary capabilities for observing nanoscale systems on their intrinsic length and time scales. By launching and monitoring acoustic waves in such systems, we fully characterize the mechanical properties of sub-50nm films. We find that the Poisson's ratio of low-k dielectric materials does not stay constant as often assumed, but increases when bond coordination is below a critical value. Within the same measurement, by following the heat dissipation dynamics from nano-gratings of width 20-1000nm and different periodicities, we confirm the effects of a newly identified collectively-diffusive regime, where closely-spaced nanowires cool faster than widely-spaced ones.
C1 [Hernandez-Charpak, Jorge; Frazer, Travis; Knobloch, Joshua; Hoogeboom-Pot, Kathleen; Nardi, Damiano; Kapteyn, Henry; Murnane, Margaret] Univ Colorado, Joint Inst Lab Astrophys, Boulder, CO 80309 USA.
[Hernandez-Charpak, Jorge; Frazer, Travis; Knobloch, Joshua; Hoogeboom-Pot, Kathleen; Nardi, Damiano; Kapteyn, Henry; Murnane, Margaret] Univ Colorado, Dept Phys, Boulder, CO 80309 USA.
[Hernandez-Charpak, Jorge; Frazer, Travis; Knobloch, Joshua; Hoogeboom-Pot, Kathleen; Nardi, Damiano; Kapteyn, Henry; Murnane, Margaret] NIST, Boulder, CO 80309 USA.
[Jiang, Lei; Tripp, Marie; King, Sean] Intel Corp, 2501 NW 229th Ave, Hillsboro, OR 97124 USA.
[Chao, Weilun] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA.
RP Hernandez-Charpak, J (reprint author), Univ Colorado, Joint Inst Lab Astrophys, Boulder, CO 80309 USA.; Hernandez-Charpak, J (reprint author), Univ Colorado, Dept Phys, Boulder, CO 80309 USA.; Hernandez-Charpak, J (reprint author), NIST, Boulder, CO 80309 USA.
NR 31
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 978-1-5106-0013-3
J9 PROC SPIE
PY 2016
VL 9778
AR 97780I
DI 10.1117/12.2219434
PG 8
WC Optics
SC Optics
GA BE9KP
UT WOS:000377709600016
ER
PT J
AU Choi, JW
Li, ZD
Black, CT
Sweat, DP
Wang, XD
Gopalan, P
AF Choi, Jonathan W.
Li, Zhaodong
Black, Charles T.
Sweat, Daniel P.
Wang, Xudong
Gopalan, Padma
TI Patterning at the 10 nanometer length scale using a strongly segregating
block copolymer thin film and vapor phase infiltration of inorganic
precursors
SO NANOSCALE
LA English
DT Article
ID ATOMIC LAYER DEPOSITION; SELF-ASSEMBLED NANOLITHOGRAPHY;
TEMPERATURE-DEPENDENCE; INTERACTION PARAMETER; NANOWIRE ARRAYS;
LITHOGRAPHY; ORIENTATION; TEMPLATES; ALIGNMENT; POLYMERS
AB In this work, we demonstrate the use of self-assembled thin films of the cylinder-forming block copolymer poly(4-tert-butylstyrene-block-2-vinylpyridine) to pattern high density features at the 10 nm length scale. This material's large interaction parameter facilitates pattern formation in single-digit nanometer dimensions. This block copolymer's accessible order-disorder transition temperature allows thermal annealing to drive the assembly of ordered 2-vinylpyridine cylinders that can be selectively complexed with the organometallic precursor trimethylaluminum. This unique chemistry converts organic 2-vinylpyridine cylinders into alumina nanowires with diameters ranging from 8 to 11 nm, depending on the copolymer molecular weight. Graphoepitaxy of this block copolymer aligns and registers sub-12 nm diameter nanowires to larger-scale rectangular, curved, and circular features patterned by optical lithography. The alumina nanowires function as a robust hard mask to withstand the conditions required for patterning the underlying silicon by plasma etching. We conclude with a discussion of some of the challenges that arise with using block copolymers for patterning at sub-10 nm feature sizes.
C1 [Choi, Jonathan W.; Li, Zhaodong; Wang, Xudong; Gopalan, Padma] Univ Wisconsin, Dept Mat Sci & Engn, 1509 Univ Ave, Madison, WI 53706 USA.
[Black, Charles T.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Sweat, Daniel P.] Univ Wisconsin, Dept Chem, 1101 Univ Ave, Madison, WI 53706 USA.
RP Gopalan, P (reprint author), Univ Wisconsin, Dept Mat Sci & Engn, 1509 Univ Ave, Madison, WI 53706 USA.
EM pgopalan@cae.wisc.edu
RI Wang, Xudong/A-7067-2009
FU NSF-CMMI [1462771]; U.S. Department of Energy, Office of Basic Energy
Sciences [DE-SC0012704]
FX J. C and P. G acknowledge the NSF-CMMI grant 1462771 for support. We
acknowledge support from the staff and the use of equipment at the
Materials Science Center, Wisconsin Center for Microelectronics.
Research was 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 would also like to acknowledge G. Doerk
(BNL) for performing roughness analysis for SEM images.
NR 55
TC 3
Z9 3
U1 9
U2 18
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 2016
VL 8
IS 22
BP 11595
EP 11601
DI 10.1039/c6nr01409g
PG 7
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DO6UU
UT WOS:000377919800033
PM 27216015
ER
PT J
AU Kilbane, JD
Chan, EM
Monachon, C
Borys, NJ
Levy, ES
Pickel, AD
Urban, JJ
Schuck, PJ
Dames, C
AF Kilbane, Jacob D.
Chan, Emory M.
Monachon, Christian
Borys, Nicholas J.
Levy, Elizabeth S.
Pickel, Andrea D.
Urban, Jeffrey J.
Schuck, P. James
Dames, Chris
TI Far-field optical nanothermometry using individual sub-50 nm
upconverting nanoparticles
SO NANOSCALE
LA English
DT Article
ID UP-CONVERSION LUMINESCENCE; TEMPERATURE; THERMOMETRY; NANOSCALE;
NANOCRYSTALS; DEVICES; BRIGHT
AB We demonstrate far-field optical thermometry using individual NaYF4 nanoparticles doped with 2% Er3+ and 20% Yb3+. Isolated 20 x 20 x 40 nm(3) particles were identified using only far-field optical imaging, confirmed by subsequent scanning electron microscopy. The luminescence thermometry response for five such single particles was characterized for temperatures from 300 K to 400 K. A standard Arrhenius model widely used for larger particles can still be accurately applied to these sub-50 nm particles, with good particle-to-particle uniformity (response coefficients exhibited standard deviations below 5%). With its spatial resolution on the order of 50 nm when imaging a single particle, far below the diffraction limit, this technique has potential applications for both fundamental thermal measurements and nanoscale metrology in industrial applications.
C1 [Kilbane, Jacob D.; Monachon, Christian; Pickel, Andrea D.; Dames, Chris] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA.
[Chan, Emory M.; Monachon, Christian; Borys, Nicholas J.; Levy, Elizabeth S.; Urban, Jeffrey J.; Schuck, P. James; Dames, Chris] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
RP Dames, C (reprint author), Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA.; Dames, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
EM cdames@berkeley.edu
FU NSF GOALI [1512796]; Seagate Technology LLC; Post GI Bill [9/11]; Swiss
National Foundation [P2ELP2-152177]; Office of Science, Office of Basic
Energy Sciences, Division of Materials Sciences and Engineering of the
US Department of Energy [DE-AC02-05CH11231]
FX JK thanks David Garfield for training on the microscope. This work was
supported in part by an NSF GOALI (grant # 1512796) with Seagate
Technology LLC. JK acknowledges support from the Post 9/11 GI Bill. CM
acknowledges support from the Swiss National Foundation under contract #
P2ELP2-152177. We thank the Lawrence Berkeley National Laboratory
Molecular Foundry and their User Program for access to their equipment,
guidance, and expertise. Work at the Molecular Foundry was supported by
the Office of Science, Office of Basic Energy Sciences, Division of
Materials Sciences and Engineering, of the US Department of Energy
(contract no. DE-AC02-05CH11231).
NR 29
TC 1
Z9 1
U1 4
U2 6
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 2016
VL 8
IS 22
BP 11611
EP 11616
DI 10.1039/c6nr01479h
PG 6
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DO6UU
UT WOS:000377919800035
PM 27216164
ER
PT J
AU Zeng, YZ
Flores, JF
Shao, YC
Guo, JH
Chuang, YD
Lu, JQ
AF Zeng, Yuze
Flores, Jose F.
Shao, Yu-Cheng
Guo, Jinghua
Chuang, Yi-De
Lu, Jennifer Q.
TI Reproducibly creating hierarchical 3D carbon to study the effect of Si
surface functionalization on the oxygen reduction reaction
SO NANOSCALE
LA English
DT Article
ID METAL-FREE ELECTROCATALYSTS; GRAPHENE NANORIBBONS; ENERGY-STORAGE;
FUEL-CELLS; NANOTUBES; CATALYSTS; SPECTROSCOPY; PERFORMANCE; OXIDATION;
GROWTH
AB We report a new method to reproducibly fabricate functional 3D carbon structures directly on a current collector, e.g. stainless steel. The 3D carbon platform is formed by direct growth of upright arrays of carbon nanofiber bundles on a roughened surface of stainless steel via the seed-assisted approach. Each bundle consists of about 30 individual carbon nanofibers with a diameter of 18 nm on average. We have found that this new platform offers adequate structural integrity. As a result, no reduction of the surface area during downstream chemical functionalization was observed. With a fixed and reproducible 3D structure, the effect of the chemistry of the grafted species on the oxygen reduction reaction has been systematically investigated. This investigation reveals for the first time that non-conductive Si with an appropriate electronic structure distorts the carbon electronic structure and consequently enhances ORR electrocatalysis. The strong interface provides excellent electron connectivity according to electrochemical analysis. This highly reproducible and stable 3D platform can serve as a stepping-stone for the investigation of the effect of carbon surface functionalization on electrochemical reactions in general.
C1 [Zeng, Yuze; Flores, Jose F.; Lu, Jennifer Q.] Univ Calif, Sch Engn, 5200 North Lake Rd, Merced, CA 95343 USA.
[Shao, Yu-Cheng; Guo, Jinghua; Chuang, Yi-De] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Shao, Yu-Cheng] Tamkang Univ, Dept Phys, 151 Yingzhuan Rd, New Taipei 25137, Taiwan.
RP Lu, JQ (reprint author), Univ Calif, Sch Engn, 5200 North Lake Rd, Merced, CA 95343 USA.
EM jlu5@ucmerced.edu
FU NASA [NNX15AQ01A]; National Science Foundation [NSF-1309673]; Office of
Science, Office of Basic Energy Sciences of the U. S. Department of
Energy [DE-AC02-05CH11231]
FX This work is supported by NASA (NNX15AQ01A) and the National Science
Foundation (NSF-1309673). The Advanced Light Source is supported by the
Director, Office of Science, Office of Basic Energy Sciences, of the U.
S. Department of Energy under Contract No. DE-AC02-05CH11231. The
authors wish to thank Way-Faung Pong of Tamkang University for
discussing the XAS data.
NR 34
TC 0
Z9 0
U1 15
U2 26
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 2016
VL 8
IS 22
BP 11617
EP 11624
DI 10.1039/c6nr02825j
PG 8
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DO6UU
UT WOS:000377919800036
PM 27217228
ER
PT J
AU Jain, A
Shin, Y
Persson, KA
AF Jain, Anubhav
Shin, Yongwoo
Persson, Kristin A.
TI Computational predictions of energy materials using density functional
theory
SO NATURE REVIEWS MATERIALS
LA English
DT Review
ID P-PHENYLENEVINYLENE OLIGOMERS; 1ST PRINCIPLES CALCULATIONS; LI-ION
BATTERIES; HYDROGEN-STORAGE; CRYSTAL-STRUCTURE; SOLAR-CELLS;
1ST-PRINCIPLES CALCULATIONS; RATIONAL DESIGN; AB-INITIO;
THERMOELECTRIC-MATERIALS
AB In the search for new functional materials, quantum mechanics is an exciting starting point. The fundamental laws that govern the behaviour of electrons have the possibility, at the other end of the scale, to predict the performance of a material for a targeted application. In some cases, this is achievable using density functional theory (DFT). In this Review, we highlight DFT studies predicting energy-related materials that were subsequently confirmed experimentally. The attributes and limitations of DFT for the computational design of materials for lithium-ion batteries, hydrogen production and storage materials, superconductors, photovoltaics and thermoelectric materials are discussed. In the future, we expect that the accuracy of DFT-based methods will continue to improve and that growth in computing power will enable millions of materials to be virtually screened for specific applications. Thus, these examples represent a first glimpse of what may become a routine and integral step in materials discovery.
C1 [Jain, Anubhav; Shin, Yongwoo; Persson, Kristin A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Persson, Kristin A.] Univ Calif Berkeley, Mat Sci & Engn Dept, Berkeley, CA 94704 USA.
RP Persson, KA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.; Persson, KA (reprint author), Univ Calif Berkeley, Mat Sci & Engn Dept, Berkeley, CA 94704 USA.
EM kapersson@lbl.gov
RI Shin, Yongwoo/G-5838-2011
OI Shin, Yongwoo/0000-0001-7760-9883
NR 145
TC 25
Z9 25
U1 43
U2 67
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2058-8437
J9 NAT REV MATER
JI Nat. Rev. Mater.
PD JAN
PY 2016
VL 1
IS 1
AR 15004
DI 10.1038/natrevmats.2015.4
PG 13
WC Materials Science, Multidisciplinary
SC Materials Science
GA DO3FV
UT WOS:000377667000004
ER
PT S
AU Barcaro, G
Sementa, L
Negreiros, FR
Thomas, IO
Vajda, S
Fortunelli, A
AF Barcaro, Giovanni
Sementa, Luca
Negreiros, Fabio Ribeiro
Thomas, Iorwerth Owain
Vajda, Stefan
Fortunelli, Alessandro
BE Netzer, FP
Fortunelli, A
TI Atomistic and Electronic Structure Methods for Nanostructured Oxide
Interfaces
SO OXIDE MATERIALS AT THE TWO-DIMENSIONAL LIMIT
SE Springer Series in Materials Science
LA English
DT Article; Book Chapter
ID DYNAMICAL MEAN-FIELD; GENERALIZED GRADIENT APPROXIMATION; SCANNING
TUNNELING MICROSCOPE; ULTRATHIN FILMS; INFINITE DIMENSIONS;
PERTURBATION-THEORY; MOTT TRANSITION; QUANTUM-THEORY; DENSITY; CLUSTERS
AB An overview is given of methods for the computational prediction of the atomistic and electronic structures of nanoscale oxide interfaces. Global optimization approaches for structure prediction, together with total energy and electronic structure methods are reviewed and discussed. Our aim is to furnish conceptual instruments to select the optimal (i.e., the most accurate and least costly) method for treating a given system, and to understand the potentialities and limitations of current approaches. Theoretical modeling of the structural, catalytic, mechanical, optical and magnetic properties of nanoscale oxides is also briefly described. Finally, an outlook on extending computational and experimental investigation from crystalline-like to amorphous oxide ultrathin layers and the challenges to be faced when dealing with these more complex systems is presented. Final remarks conclude the chapter.
C1 [Barcaro, Giovanni] CNR, CNR IPCF, I-56124 Pisa, Italy.
[Negreiros, Fabio Ribeiro] Univ Fed ABC, Ctr Ciencias Nat & Humanas, Santo Andre, SP, Brazil.
[Thomas, Iorwerth Owain] Univ Durham, Dept Phys, S Rd, Durham DH1 3LE, England.
[Vajda, Stefan] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Vajda, Stefan] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Vajda, Stefan] Yale Univ, Dept Chem & Environm Engn, 9 Hillhouse Ave, New Haven, CT 06520 USA.
[Vajda, Stefan] Univ Chicago, IME, 5801 South Ellis Ave, Chicago, IL 60637 USA.
[Sementa, Luca; Fortunelli, Alessandro] CNR, CNR ICCOM, Via G Moruzzi 1, I-56124 Pisa, Italy.
RP Fortunelli, A (reprint author), CNR, CNR ICCOM, Via G Moruzzi 1, I-56124 Pisa, Italy.
EM barcaro@pi.ipcf.cnr.it; sementa@pi.ipcf.cnr.it; f.ribeiro@ufabc.edu.br;
iorwerth.thomas@durham.ac.uk; vajda@anl.gov;
alessandro.fortunelli@cnr.it
NR 140
TC 0
Z9 0
U1 2
U2 4
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0933-033X
BN 978-3-319-28332-6; 978-3-319-28330-2
J9 SPRINGER SER MATER S
PY 2016
VL 234
BP 39
EP 90
DI 10.1007/978-3-319-28332-6_2
D2 10.1007/978-3-319-28332-6
PG 52
WC Materials Science, Coatings & Films; Optics
SC Materials Science; Optics
GA BE8JQ
UT WOS:000376521200004
ER
PT S
AU Asthagiri, A
Dixon, DA
Dohnalek, Z
Kay, BD
Rodriguez, JA
Rousseau, R
Stacchiola, DJ
Weaver, JF
AF Asthagiri, Aravind
Dixon, David A.
Dohnalek, Zdenek
Kay, Bruce D.
Rodriguez, Jose A.
Rousseau, Roger
Stacchiola, Dario J.
Weaver, Jason F.
BE Netzer, FP
Fortunelli, A
TI Catalytic Chemistry on Oxide Nanostructures
SO OXIDE MATERIALS AT THE TWO-DIMENSIONAL LIMIT
SE Springer Series in Materials Science
LA English
DT Article; Book Chapter
ID GAS SHIFT REACTION; H BOND-CLEAVAGE; PDO(101) THIN-FILM; PROPANE
SIGMA-COMPLEXES; METAL-OXIDE; (WO3)(3) CLUSTERS; (MO3)(3) M; WATER;
OXIDATION; SURFACE
AB In this chapter we review distinct well-defined planar models to illustrate the unique chemical properties that can be realized by oxide nanostructuring in the form of continuous ultra-thin films, extended islands and/or supported nanoclusters. The highlighted systems include metastable PdO films for C-H bond activation, multifunctional catalytic sites at copper/cerium-oxide island interfaces for water-gas shift reactions, and (WO3)(3) and (MoO3)(3) nanoclusters with active dioxo, O=M=O, moieties for dehydration and partial oxidation of alcohols.
C1 [Asthagiri, Aravind] Ohio State Univ, William G Lowrie Dept Chem & Biomol Engn, Columbus, OH 43210 USA.
[Dixon, David A.] Univ Alabama, Dept Chem, Shelby Hall,Box 870336, Tuscaloosa, AL 35487 USA.
[Dohnalek, Zdenek; Kay, Bruce D.; Rousseau, Roger] Pacific NW Natl Lab, Inst Integrated Catalysis, POB 999, Richland, WA 99352 USA.
[Rodriguez, Jose A.; Stacchiola, Dario J.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
[Weaver, Jason F.] Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA.
RP Dohnalek, Z (reprint author), Pacific NW Natl Lab, Inst Integrated Catalysis, POB 999, Richland, WA 99352 USA.
EM asthagiri.1@osu.edu; dadixon@ua.edu; zdenek.dohnalek@pnnl.gov;
bruce.kay@pnnl.gov; rodriguez@bnl.gov; riger.rousseau@pnnl.gov;
djs@bnl.gov; jweaver@che.ufl.edu
OI Dohnalek, Zdenek/0000-0002-5999-7867
NR 64
TC 0
Z9 0
U1 5
U2 5
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0933-033X
BN 978-3-319-28332-6; 978-3-319-28330-2
J9 SPRINGER SER MATER S
PY 2016
VL 234
BP 251
EP 280
DI 10.1007/978-3-319-28332-6_9
D2 10.1007/978-3-319-28332-6
PG 30
WC Materials Science, Coatings & Films; Optics
SC Materials Science; Optics
GA BE8JQ
UT WOS:000376521200011
ER
PT S
AU LaCasse, CF
Redman, BJ
Kudenov, MW
Craven, JM
AF LaCasse, Charles F.
Redman, Brian J.
Kudenov, Michael W.
Craven, Julia M.
BE Chenault, DB
Goldstein, DH
TI Maximum bandwidth snapshot channeled imaging polarimeter with
polarization gratings
SO POLARIZATION: MEASUREMENT, ANALYSIS, AND REMOTE SENSING XII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Polarization - Measurement, Analysis, and Remote Sensing
XII
CY APR 18-19, 2016
CL Baltimore, MD
SP SPIE
DE Polarization; Remote Sensing; Polarimetry; Polarization Grating;
Microgrid
ID DIVISION; IMAGERY
AB Compact snapshot imaging polarimeters have been demonstrated in literature to provide Stokes parameter estimations for spatially varying scenes using polarization gratings. However, the demonstrated system does not employ aggressive modulation frequencies to take full advantage of the bandwidth available to the focal plane array. A snapshot imaging Stokes polarimeter is described and demonstrated through results. The simulation studies the challenges of using a maximum bandwidth configuration for a snapshot polarization grating based polarimeter, such as the fringe contrast attenuation that results from higher modulation frequencies. Similar simulation results are generated and compared for a microgrid polarimeter. Microgrid polarimeters are instruments where pixelated polarizers are superimposed onto a focal plan array, and this is another type of spatially modulated polarimeter, and the most common design uses a 2x2 super pixel of polarizers which maximally uses the available bandwidth of the focal plane array.
C1 [LaCasse, Charles F.] Sandia Natl Labs, Livermore, CA 94550 USA.
[Redman, Brian J.; Kudenov, Michael W.; Craven, Julia M.] N Carolina State Univ, Raleigh, NC 27695 USA.
RP LaCasse, CF (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA.
EM cflacas@sandia.gov
NR 14
TC 0
Z9 0
U1 1
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 978-1-5106-0094-2
J9 PROC SPIE
PY 2016
VL 9853
AR 98530U
DI 10.1117/12.2228561
PG 11
WC Instruments & Instrumentation; Remote Sensing; Optics
SC Instruments & Instrumentation; Remote Sensing; Optics
GA BE9KM
UT WOS:000377707500024
ER
PT S
AU Lee, DJ
LaCasse, CF
Craven, JM
AF Lee, Dennis J.
LaCasse, Charles F.
Craven, Julia M.
BE Chenault, DB
Goldstein, DH
TI Channeled Spectropolarimetry Using Iterative Reconstruction
SO POLARIZATION: MEASUREMENT, ANALYSIS, AND REMOTE SENSING XII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Polarization - Measurement, Analysis, and Remote Sensing
XII
CY APR 18-19, 2016
CL Baltimore, MD
SP SPIE
DE Channeled spectropolarimetry; iterative reconstruction; signal
processing; Fourier transform; polarimetry; spectroscopy; VNIR; Stokes
parameters; dispersive spectrometers; FTIR
ID PHASE RETRIEVAL
AB Channeled spectropolarimeters (CSP) measure the polarization state of light as a function of wavelength. Conventional Fourier reconstruction suffers from noise, assumes the channels are band-limited, and requires uniformly spaced samples. To address these problems, we propose an iterative reconstruction algorithm. We develop a mathematical model of CSP measurements and minimize a cost function based on this model. We simulate a measured spectrum using example Stokes parameters, from which we compare conventional Fourier reconstruction and iterative reconstruction. Importantly, our iterative approach can reconstruct signals that contain more bandwidth, an advancement over Fourier reconstruction. Our results also show that iterative reconstruction mitigates noise effects, processes non-uniformly spaced samples without interpolation, and more faithfully recovers the ground truth Stokes parameters. This work offers a significant improvement to Fourier reconstruction for channeled spectropolarimetry.
C1 [Lee, Dennis J.; LaCasse, Charles F.; Craven, Julia M.] Sandia Natl Labs, 1515 Eubank Blvd SE, Albuquerque, NM 87123 USA.
RP Lee, DJ (reprint author), Sandia Natl Labs, 1515 Eubank Blvd SE, Albuquerque, NM 87123 USA.
EM dlee1@sandia.gov
RI Lee, Dennis/G-2327-2015
OI Lee, Dennis/0000-0002-8835-5687
NR 14
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 978-1-5106-0094-2
J9 PROC SPIE
PY 2016
VL 9853
AR 98530V
DI 10.1117/12.2225172
PG 14
WC Instruments & Instrumentation; Remote Sensing; Optics
SC Instruments & Instrumentation; Remote Sensing; Optics
GA BE9KM
UT WOS:000377707500025
ER
PT S
AU van der Laan, JD
Wright, JB
Scrymgeour, DA
Kemme, SA
Dereniak, EL
AF van der Laan, John D.
Wright, Jeremy B.
Scrymgeour, David A.
Kemme, Shanalyn A.
Dereniak, Eustace L.
BE Chenault, DB
Goldstein, DH
TI Variation of linear and circular polarization persistence for changing
field of view and collection area in a forward scattering environment
SO POLARIZATION: MEASUREMENT, ANALYSIS, AND REMOTE SENSING XII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Polarization - Measurement, Analysis, and Remote Sensing
XII
CY APR 18-19, 2016
CL Baltimore, MD
SP SPIE
DE Polarization; scattering; circular polarization; linear polarization;
forward scattering
ID LIGHT; MEMORY
AB We present experimental and simulation results for a laboratory-based forward-scattering environment, where 1 mu m diameter polystyrene spheres are suspended in water to model the optical scattering properties of fog. Circular polarization maintains its degree of polarization better than linear polarization as the optical thickness of the scattering environment increases. Both simulation and experiment quantify circular polarization's superior persistence, compared to that of linear polarization, and show that it is much less affected by variations in the field of view and collection area of the optical system. Our experimental environment's lateral extent was physically finite, causing a significant difference between measured and simulated degree of polarization values for incident linearly polarized light, but not for circularly polarized light. Through simulation we demonstrate that circular polarization is less susceptible to the finite environmental extent as well as the collection optic's limiting configuration.
C1 [van der Laan, John D.; Wright, Jeremy B.; Scrymgeour, David A.; Kemme, Shanalyn A.] Sandia Natl Labs, 1515 Eubank Blvd SE, Albuquerque, NM 87123 USA.
[Dereniak, Eustace L.] Univ Arizona, Coll Opt Sci, 1630 E Univ Blvd, Tucson, AZ 85721 USA.
RP van der Laan, JD (reprint author), Sandia Natl Labs, 1515 Eubank Blvd SE, Albuquerque, NM 87123 USA.
EM johvand@sandia.gov
NR 12
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 978-1-5106-0094-2
J9 PROC SPIE
PY 2016
VL 9853
AR 98530L
DI 10.1117/12.2223958
PG 8
WC Instruments & Instrumentation; Remote Sensing; Optics
SC Instruments & Instrumentation; Remote Sensing; Optics
GA BE9KM
UT WOS:000377707500015
ER
PT B
AU La Cava, W
Danai, K
Lackner, M
Spector, L
Fleming, P
Wright, A
AF La Cava, William
Danai, Kourosh
Lackner, Matthew
Spector, Lee
Fleming, Paul
Wright, Alan
GP ASME
TI AUTOMATIC IDENTIFICATION OF CLOSED-LOOP WIND TURBINE DYNAMICS VIA
GENETIC PROGRAMMING
SO PROCEEDINGS OF THE ASME 8TH ANNUAL DYNAMIC SYSTEMS AND CONTROL
CONFERENCE, 2015, VOL 2
LA English
DT Proceedings Paper
CT 8th ASME Annual Dynamic Systems and Control Conference (DSCC 2015)
CY OCT 28-30, 2015
CL Columbus, OH
SP ASME, Dynam Syst & Control Div
ID EPIGENETICS
AB Wind turbines are nonlinear systems that operate in turbulent environments. As such, their behavior is difficult to characterize accurately across a wide range of operating conditions by physically meaningful models. Customarily, data-based models of wind turbines are defined in 'black box' format, lacking in both conciseness and physical intelligibility. To address this deficiency, we identify models of a modern horizontal-axis wind turbine in symbolic form using a recently developed symbolic regression method. The method used relies on evolutionary multi-objective optimization to produce succinct dynamic models from operational data without 'a priori' knowledge of the system. We compare the produced models with models derived by other methods for their estimation capacity and evaluate the trade-off between model intelligibility and accuracy. Several succinct models are found that predict wind turbine behavior as well as or better than more complex alternatives derived by other methods.
C1 [La Cava, William; Danai, Kourosh; Lackner, Matthew] Univ Massachusetts, Dept Mech & Ind Engn, Amherst, MA 01003 USA.
[Spector, Lee] Hampshire Coll, Sch Cognit Sci, Amherst, MA 01002 USA.
[Fleming, Paul; Wright, Alan] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
RP La Cava, W (reprint author), Univ Massachusetts, Dept Mech & Ind Engn, Amherst, MA 01003 USA.
EM wlacava@umass.edu; danai@ecs.umass.edu; lackner@ecs.umass.edu;
lspector@hahipshire.edu; paul.fleming@nrel.gov; alan.wright@nrel.gov
NR 30
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5725-0
PY 2016
AR V002T21A002
PG 10
WC Automation & Control Systems; Engineering, Mechanical
SC Automation & Control Systems; Engineering
GA BE9IY
UT WOS:000377639100011
ER
PT B
AU Zlotnik, A
Dyachenko, S
Backhaus, S
Chertkov, M
AF Zlotnik, Anatoly
Dyachenko, Sergey
Backhaus, Scott
Chertkov, Michael
GP ASME
TI MODEL REDUCTION AND OPTIMIZATION OF NATURAL GAS PIPELINE DYNAMICS
SO PROCEEDINGS OF THE ASME 8TH ANNUAL DYNAMIC SYSTEMS AND CONTROL
CONFERENCE, 2015, VOL 3
LA English
DT Proceedings Paper
CT 8th ASME Annual Dynamic Systems and Control Conference (DSCC 2015)
CY OCT 28-30, 2015
CL Columbus, OH
SP ASME, Dynam Syst & Control Div
ID NETWORKS; SIMULATION; SYSTEMS; FLOW
AB We derive a reduced control system model for the dynamics of compressible gas flow through a pipeline subject to distributed time-varying injections, withdrawals, and control actions of compressors. The gas dynamics PDE equations are simplified using lumped elements to a nonlinear ODE system with matrix coefficients. We verify that low-order integration of this ODE system with adaptive time-stepping is computationally consistent with solution of the PDE system using a split-step characteristic scheme on a regular space-time grid for a realistic pipeline model. Furthermore, the reduced model is tractable for use as the dynamic constraints of the optimal control problem of minimizing compression costs given transient withdrawals and gas pressure constraints. We discretize this problem as a finite nonlinear program using a pseudospectral collocation scheme, which we solve to obtain a polynomial approximation of the optimal transient compression controls. The method is applied to an example involving the Williams-Transco pipeline.
C1 [Zlotnik, Anatoly] Los Alamos Natl Lab, Div Theoret, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
[Dyachenko, Sergey] Univ Arizona, Dept Math, Tucson, AZ 85721 USA.
[Backhaus, Scott] Los Alamos Natl Lab, Condensed Matter & Magnet Sci, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA.
[Chertkov, Michael] Los Alamos Natl Lab, Div Theoret, Phys Condensed Matter & Complex Syst, Los Alamos, NM 87545 USA.
RP Zlotnik, A (reprint author), Los Alamos Natl Lab, Div Theoret, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
EM azlotnik@lanl.gov; sdyachen@math.arizona.edu; backhaus@lanl.gov;
chertkov@lanl.gov
NR 34
TC 0
Z9 0
U1 3
U2 3
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5726-7
PY 2016
AR V003T39A002-1
PG 10
WC Automation & Control Systems; Engineering, Mechanical
SC Automation & Control Systems; Engineering
GA BE9IZ
UT WOS:000377639200012
ER
PT B
AU Hanson, R
Reitz, R
AF Hanson, Reed
Reitz, Rolf
GP ASME
TI INVESTIGATION OF COLD STARTING AND COMBUSTION MODE SWITCHING AS METHODS
TO IMPROVE LOW LOAD RCCI OPERATION
SO PROCEEDINGS OF THE ASME INTERNAL COMBUSTION ENGINE DIVISION FALL
TECHNICAL CONFERENCE, 2015, VOL 1
LA English
DT Proceedings Paper
CT ASME Internal Combustion Engine Division Fall Technical Conference
CY NOV 08-11, 2015
CL Houston, TX
SP ASME, Internal Combust Engine Div
AB Reactivity Controlled Compression Ignition (RCCI) is an engine combustion strategy that utilizes in-cylinder fuel blending to produce low NO), and PM emissions while maintaining high thermal efficiency. The current study investigates RCCI and conventional diesel combustion (CDC) operation in a light-duty multi-cylinder engine using a transient capable engine test cell.
The main focus of the work uses engine experiments to investigate methods which can improve low-load RCCI operation. The first set of experiments investigated RCCI operation during cold start conditions. The next set of tests investigated combustion mode switching between RCCI and CDC.
During the cold start tests, RCCI performance and emissions were measured over a range of engine coolant temperatures from 48 to 85 degrees C. A combination of open and closed loop controls enabled RCCI to operate at a 1,500 rpm, 1 bar BMEP operating point over this range of coolant temperatures.
At a similar operating condition, i.e. 1,500 rpm, 2 bar BMEP, the engine was instantaneously switched between CDC and RCCI combustion using the same open and closed loop controls as the cold start testing. During the mode switch tests, emissions and performance were measured with high speed sampling equipment. The tests revealed that it was possible to operate RCCI down to 48 degrees C with simple open and closed loop controls with emissions and efficiency similar to the warm steady-state values. Next, the mode switching tests were successful in switching combustion modes with minimal deviations in emissions and performance in either mode at steady-state.
C1 [Hanson, Reed; Reitz, Rolf] Univ Wisconsin, Madison, WI USA.
[Hanson, Reed] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Hanson, R (reprint author), Univ Wisconsin, Madison, WI USA.; Hanson, R (reprint author), Argonne Natl Lab, Argonne, IL 60439 USA.
NR 26
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5727-4
PY 2016
AR V001T03A014
PG 10
WC Engineering, Mechanical
SC Engineering
GA BE9IU
UT WOS:000377638400037
ER
PT B
AU Hanson, R
Ickes, A
Wallner, T
AF Hanson, Reed
Ickes, Andrew
Wallner, Thomas
GP ASME
TI USE OF ADAPTIVE INJECTION STRATEGIES TO INCREASE THE FULL LOAD LIMIT OF
RCCI OPERATION
SO PROCEEDINGS OF THE ASME INTERNAL COMBUSTION ENGINE DIVISION FALL
TECHNICAL CONFERENCE, 2015, VOL 1
LA English
DT Proceedings Paper
CT ASME Internal Combustion Engine Division Fall Technical Conference
CY NOV 08-11, 2015
CL Houston, TX
SP ASME, Internal Combust Engine Div
AB Dual-fuel combustion using port-injection of low reactivity fuel combined with direct injection of a higher reactivity fuel, otherwise known as Reactivity Controlled Compression Ignition (RCCI), has been shown as a method to achieve low temperature combustion with moderate peak pressure rise rates, low engine-out soot and NOx emissions, and high indicated thermal efficiency. A key requirement for extending to high load operation is moderating the reactivity of the premixed charge prior to the diesel injection. One way to accomplish this is to use a very low reactivity fuel such as natural gas. In this work, experimental testing was conducted on a 13L multi cylinder heavy-duty diesel engine modified to operate using RCCI combustion with port injection of natural gas and direct injection of diesel fuel.
Engine testing was conducted at an engine speed of 1200 RPM over a wide variety of loads and injection conditions. The impact on dual-fuel engine performance and emissions with respect to varying the fuel injection parameters is quantified within this study.
The injection strategies used in the work were found to affect the combustion process in similar ways to both conventional diesel combustion and RCCI combustion for phasing control and emissions performance. As the load is increased, the port fuel injection quantity was reduced to keep peak cylinder pressure and maximum pressure rise rate under the imposed limits. Overall, the peak load using the new injection strategy was shown to reach 22 bar BMEP with a peak brake thermal efficiency of 47.6%.
C1 [Hanson, Reed; Ickes, Andrew; Wallner, Thomas] Argonne Natl Lab, Lemont, IL USA.
RP Hanson, R (reprint author), Argonne Natl Lab, Lemont, IL USA.
NR 22
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5727-4
PY 2016
AR V001T03A015
PG 13
WC Engineering, Mechanical
SC Engineering
GA BE9IU
UT WOS:000377638400038
ER
PT B
AU Sevik, J
Wallner, T
Pamminger, M
Scarcelli, R
Singleton, D
Sanders, J
AF Sevik, James
Wallner, Thomas
Pamminger, Michael
Scarcelli, Riccardo
Singleton, Dan
Sanders, Jason
GP ASME
TI EXTENDING LEAN AND EGR-DILUTE OPERATING LIMITS OF A MODERN GDI ENGINE
USING A LOW-ENERGY TRANSIENT PLASMA IGNITION SYSTEM
SO PROCEEDINGS OF THE ASME INTERNAL COMBUSTION ENGINE DIVISION FALL
TECHNICAL CONFERENCE, 2015, VOL 1
LA English
DT Proceedings Paper
CT ASME Internal Combustion Engine Division Fall Technical Conference
CY NOV 08-11, 2015
CL Houston, TX
SP ASME, Internal Combust Engine Div
AB The efficiency improvement and emissions reduction potential of lean and EGR dilute operation of spark-ignition gasoline engines is well understood and documented. However, dilute operation is generally limited by deteriorating combustion stability with increasing inert gas levels. The combustion stability decreases due to reduced mixture flame speeds resulting in significantly increased combustion initiation periods and bum durations.
A study was designed and executed to evaluate the potential to extend lean and EGR-dilute limits using a low-energy transient plasma ignition system. The low-energy transient plasma was generated by nano-second pulses and its performance compared to a conventional transistorized coil ignition system operated on an automotive, gasoline direct injection (GDI) single-cylinder research engine. The experimental assessment was focused on steady-state experiments at the part load condition of 1500 rpm 5.6 bar IMEP, where dilution tolerance is particularly critical to improving efficiency and emissions performance.
Experimental results suggest that the energy delivery process of the low-energy transient plasma ignition system significantly improves part load dilution tolerance by reducing the early flame development period. Statistical analysis of relevant combustion metrics was performed in order to further investigate the effects of the advanced ignition system on combustion stability. Results confirm that at select operating conditions EGR tolerance and lean limit could be improved by as much as 20% (from 22.7 to 27.1% EGR) and nearly 10% (from lambda =1.55 to 1.7) with the low energy transient plasma ignition system.
C1 [Sevik, James; Wallner, Thomas; Pamminger, Michael; Scarcelli, Riccardo] Argonne Natl Lab, Lemont, IL USA.
[Singleton, Dan; Sanders, Jason] Transient Plasma Syst Inc, Torrance, CA USA.
RP Sevik, J (reprint author), Argonne Natl Lab, Lemont, IL USA.
NR 20
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5727-4
PY 2016
AR V001T03A007
PG 10
WC Engineering, Mechanical
SC Engineering
GA BE9IU
UT WOS:000377638400030
ER
PT J
AU Carriger, JF
Barron, MG
AF Carriger, John F.
Barron, Mace G.
TI A Practical Probabilistic Graphical Modeling Tool for Weighing
Ecological Risk-Based Evidence
SO SOIL & SEDIMENT CONTAMINATION
LA English
DT Article
DE Bayesian belief networks; ecological risk assessment; probabilistic
graphical models; sediment quality criteria; sediment quality triad;
weight-of-evidence
ID SEDIMENT QUALITY TRIAD; CONTAMINATION; FRAMEWORK
AB Past weight-of-evidence frameworks for adverse ecological effects have provided soft-scoring procedures for judgments based on the quality and measured attributes of evidence. Here, we provide a flexible probabilistic structure for weighing and integrating lines of evidence for ecological risk determinations. Probabilistic approaches can provide both a quantitative weighing of lines of evidence and methods for evaluating risk and uncertainty. The current modeling structure was developed for propagating uncertainties in measured endpoints and their influence on the plausibility of adverse effects. To illustrate the approach, we apply the model framework to the sediment quality triad using example lines of evidence for sediment chemistry measurements, bioassay results, and in situ infauna diversity of benthic communities using a simplified hypothetical case study. We then combine the three lines evidence and evaluate sensitivity to the input parameters, and show how uncertainties are propagated and how additional information can be incorporated to rapidly update the probability of impacts. The developed network model can be expanded to accommodate additional lines of evidence, variables and states of importance, and different types of uncertainties in the lines of evidence including spatial and temporal as well as measurement errors.
C1 [Carriger, John F.] US EPA, Natl Hlth & Environm Effects Res Lab, Off Res & Dev, ORISE,Gulf Ecol Div, Gulf Breeze, FL 32561 USA.
[Barron, Mace G.] US EPA, Natl Hlth & Environm Effects Res Lab, Off Res & Dev, Gulf Ecol Div, 1 Sabine Isl Dr, Gulf Breeze, FL 32561 USA.
RP Barron, MG (reprint author), US EPA, Natl Hlth & Environm Effects Res Lab, Off Res & Dev, Gulf Ecol Div, 1 Sabine Isl Dr, Gulf Breeze, FL 32561 USA.
EM barron.mace@epa.gov
FU U.S. Environmental Protection Agency (EPA); U.S. Department of Energy
FX We thank Glenn Suter and Susan Cormier for helpful comments on an
earlier draft of this manuscript. This research was supported in part by
an appointment to the Oak Ridge Institute for Science and Education
participant research program supported by an interagency agreement
between the U.S. Environmental Protection Agency (EPA) and the U.S.
Department of Energy. This paper has been reviewed according to EPA
guidelines, but does not necessarily represent the views of the Agency.
NR 20
TC 0
Z9 0
U1 1
U2 2
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 1532-0383
EI 1549-7887
J9 SOIL SEDIMENT CONTAM
JI Soil. Sediment. Contam.
PY 2016
VL 25
IS 4
BP 476
EP 487
DI 10.1080/15320383.2016.1171293
PG 12
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA DO4MK
UT WOS:000377756900009
ER
PT S
AU Pogorelsky, IV
AF Pogorelsky, I. V.
BE Rocca, J
Menoni, C
Marconi, M
TI Progress and Prospects of a Compton X-ray Source Driven by a High-Power
CO2 Laser
SO X-RAY LASERS 2014
SE Springer Proceedings in Physics
LA English
DT Proceedings Paper
CT 14th International Conference on X-Ray Lasers
CY MAY 26-30, 2014
CL Colorado State Univ, Fort Collins, CO
HO Colorado State Univ
ID THOMSON SCATTERING; LASER; ACCELERATORS; PULSES; BEAMS
AB X-ray sources based on inverse Compton scattering provide high peak-brightness combined with their well-controlled beam properties. We review recent progress in three research areas: Demonstrating the source's spatial coherence, so leading to single-shot, ultra-fast, phase-contrast tomography; high-average-brightness intra-cavity Compton source; and, exploring the relativistic regimes of electron oscillation within the laser field that produces multiple Compton harmonics. Next-generation Compton sources most likely will utilize all-optical schemes in which lasers serving as a virtual wiggler simultaneously will drive an electron beam from a plasma-wakefield accelerator. We address the possibility of reaching full coherency of all-optical Compton sources, analogous to free-electron lasers.
C1 [Pogorelsky, I. V.] Brookhaven Natl Lab, Collider Accelerator Dept, Accelerator Test Facil, Upton, NY 11973 USA.
RP Pogorelsky, IV (reprint author), Brookhaven Natl Lab, Collider Accelerator Dept, Accelerator Test Facil, Upton, NY 11973 USA.
EM igor@bnl.gov
NR 21
TC 0
Z9 0
U1 1
U2 1
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0930-8989
BN 978-3-319-19521-6; 978-3-319-19520-9
J9 SPRINGER PROC PHYS
PY 2016
VL 169
BP 133
EP 138
DI 10.1007/978-3-319-19521-6_17
PG 6
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BE9PQ
UT WOS:000378036600017
ER
PT S
AU Purvis, MA
Shlyaptsev, VN
Hollinger, R
Bargsten, C
Pukhov, A
Keiss, D
Towsend, A
Wang, Y
Wang, SJ
Berrill, M
Luther, B
Prieto, A
Rocca, JJ
AF Purvis, Michael A.
Shlyaptsev, Vyacheslav N.
Hollinger, Reed
Bargsten, Clayton
Pukhov, Alexander
Keiss, David
Towsend, Amanda
Wang, Yong
Wang, Shoujun
Berrill, Mark
Luther, Bradley
Prieto, Amy
Rocca, Jorge J.
BE Rocca, J
Menoni, C
Marconi, M
TI X-ray Generation from Ultra-High Energy Density Relativistic Plasmas by
Ultrafast Laser Irradiation of Nanowire Arrays
SO X-RAY LASERS 2014
SE Springer Proceedings in Physics
LA English
DT Proceedings Paper
CT 14th International Conference on X-Ray Lasers
CY MAY 26-30, 2014
CL Colorado State Univ, Fort Collins, CO
HO Colorado State Univ
ID TARGETS
AB We have demonstrated the volumetric heating of near-solid density plasmas to keV temperatures using ultra-high contrast femtosecond laser pulses of only 0.5 J energy to irradiate arrays of vertically aligned nanowires (Purvis et al. Nat Photonics 7:796-780, 2013). Our x-ray spectra and particle-in-cell (PIC) simulations show extremely highly ionized plasma volumes several micrometers in depth are generated by irradiation of Au and Ni nanowire arrays with femtosecond laser pulses of relativistic intensities. Arrays of vertically aligned Ni nanowires with an average density of 12% solid were ionized to the He-like stage. The He-like line emission from the nanowire target exceeds the intensity of the Ni K alpha line at this irradiation intensity. Similarly near-solid density Au nanowire arrays were ionized to the Co-like (Au52+). This volumetric plasma heating approach creates a new laboratory plasma regime in which extreme plasma parameters can be accessed with table-top lasers. Scaling to higher laser intensities promises to create plasmas with temperatures and pressures similar to those in the center of the sun. The increased hydrodynamic-to-radiative lifetime ratio is responsible for a dramatic increase in the x-ray emission with respect to polished solid targets. As highly efficient X-ray emitters and sources of extreme plasma conditions, these plasmas could play a role in the development of new ultra-short pulse soft x-ray lasers.
C1 [Purvis, Michael A.; Shlyaptsev, Vyacheslav N.; Hollinger, Reed; Bargsten, Clayton; Keiss, David; Towsend, Amanda; Wang, Yong; Wang, Shoujun; Berrill, Mark; Luther, Bradley; Rocca, Jorge J.] Colorado State Univ, Ft Collins, CO 80523 USA.
[Pukhov, Alexander] Univ Dusseldorf, Inst Theoret Phys, Dusseldorf, Germany.
[Berrill, Mark; Luther, Bradley] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Rocca, JJ (reprint author), Colorado State Univ, Ft Collins, CO 80523 USA.
EM Jorge.rocca@colostate.edo
OI Berrill, Mark/0000-0002-4525-3939
NR 3
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0930-8989
BN 978-3-319-19521-6; 978-3-319-19520-9
J9 SPRINGER PROC PHYS
PY 2016
VL 169
BP 139
EP 145
DI 10.1007/978-3-319-19521-6_18
PG 7
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BE9PQ
UT WOS:000378036600018
ER
PT S
AU Rohringer, N
Kimberg, V
Weninger, C
Sanchez-Gonzalez, A
Lutman, A
Maxwell, T
Bostedt, C
Monterro, SC
Lindahl, AO
Ilchen, M
Coffee, RN
Bozek, JD
Krzywinski, J
Kierspel, T
Mullins, T
Kupper, J
Erk, B
Rolles, D
Mucke, OD
London, RA
Purvis, M
Ryan, D
Rocca, JJ
Feifel, R
Squibb, R
Zhaunerchyk, V
Sathe, C
Agaker, M
Mucke, M
Nordgren, J
Rubensson, JE
AF Rohringer, N.
Kimberg, V.
Weninger, C.
Sanchez-Gonzalez, A.
Lutman, A.
Maxwell, T.
Bostedt, C.
Monterro, S. Carron
Lindahl, A. O.
Ilchen, M.
Coffee, R. N.
Bozek, J. D.
Krzywinski, J.
Kierspel, T.
Mullins, T.
Kuepper, J.
Erk, B.
Rolles, D.
Muecke, O. D.
London, R. A.
Purvis, M.
Ryan, D.
Rocca, J. J.
Feifel, R.
Squibb, R.
Zhaunerchyk, V.
Sathe, C.
Agaker, M.
Mucke, M.
Nordgren, J.
Rubensson, J. E.
BE Rocca, J
Menoni, C
Marconi, M
TI Stimulated X-Ray Raman Scattering with Free-Electron Laser Sources
SO X-RAY LASERS 2014
SE Springer Proceedings in Physics
LA English
DT Proceedings Paper
CT 14th International Conference on X-Ray Lasers
CY MAY 26-30, 2014
CL Colorado State Univ, Fort Collins, CO
HO Colorado State Univ
AB Stimulated electronic x-ray Raman scattering is the building block for several proposed x-ray pump probe techniques, that would allow the study of electron dynamics at unprecedented timescales. We present high spectral resolution data on stimulated electronic x-ray Raman scattering in a gas sample of neon using a self-amplified spontaneous emission x-ray free-electron laser. Despite the limited spectral coherence and broad bandwidth of these sources, high-resolution spectra can be obtained by statistical methods, opening the path to coherent stimulated x-ray Raman spectroscopy. An extension of these ideas to molecules and the results of a recent experiment in CO are discussed.
C1 [Rohringer, N.; Kimberg, V.; Weninger, C.] Max Planck Inst Phys Komplexer Syst, Dresden, Germany.
[Rohringer, N.; Kimberg, V.; Weninger, C.; Kierspel, T.; Mullins, T.; Kuepper, J.] Ctr Free Electron Laser Sci, Hamburg, Germany.
[Sanchez-Gonzalez, A.] Univ London Imperial Coll Sci Technol & Med, London, England.
[Lutman, A.; Maxwell, T.; Bostedt, C.; Monterro, S. Carron; Ilchen, M.; Coffee, R. N.; Bozek, J. D.; Krzywinski, J.] SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA USA.
[Kierspel, T.; Mullins, T.; Kuepper, J.] Univ Hamburg, Hamburg, Germany.
[Kierspel, T.; Mullins, T.; Kuepper, J.; Erk, B.; Rolles, D.; Muecke, O. D.] DESY, Notkestr 85, Hamburg, Germany.
[London, R. A.] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Purvis, M.; Ryan, D.; Rocca, J. J.] Colorado State Univ, Ft Collins, CO 80523 USA.
[Lindahl, A. O.; Feifel, R.; Squibb, R.; Zhaunerchyk, V.] Univ Gothenburg, Dept Phys, Gothenburg, Sweden.
[Sathe, C.; Agaker, M.; Mucke, M.; Nordgren, J.; Rubensson, J. E.] Uppsala Univ, Dept Phys & Astron, Uppsala, Sweden.
[Lindahl, A. O.; Coffee, R. N.] SLAC Natl Accelerator Lab, Stanford PULSE Inst, Menlo Pk, CA USA.
[Ilchen, M.] European XFEL GmbH, Hamburg, Germany.
RP Rohringer, N (reprint author), Max Planck Inst Phys Komplexer Syst, Dresden, Germany.
EM nina@pks.mpg.de
RI Kimberg, Victor/M-6557-2016; Kupper, Jochen/A-5564-2008; Sathe,
Conny/P-8139-2016; Feifel, Raimund/A-4441-2009; Bozek, John/E-9260-2010;
OI Kupper, Jochen/0000-0003-4395-9345; Sathe, Conny/0000-0001-7799-8575;
Feifel, Raimund/0000-0001-5234-3935; Bozek, John/0000-0001-7486-7238;
Ryan, Duncan/0000-0001-7702-8499
NR 12
TC 0
Z9 0
U1 1
U2 6
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0930-8989
BN 978-3-319-19521-6; 978-3-319-19520-9
J9 SPRINGER PROC PHYS
PY 2016
VL 169
BP 201
EP 207
DI 10.1007/978-3-319-19521-6_26
PG 7
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BE9PQ
UT WOS:000378036600026
ER
PT S
AU Nilsen, J
AF Nilsen, Joseph
BE Rocca, J
Menoni, C
Marconi, M
TI Comparing the Gain of the Ne K-alpha Inner-Shell X-Ray Laser Using the
XFEL to Drive the Kinetics with Photo-Ionization Versus Photo-Excitation
SO X-RAY LASERS 2014
SE Springer Proceedings in Physics
LA English
DT Proceedings Paper
CT 14th International Conference on X-Ray Lasers
CY MAY 26-30, 2014
CL Colorado State Univ, Fort Collins, CO
HO Colorado State Univ
AB Over the last four decades many photo-pumped X-ray laser schemes have been proposed. However, demonstrating these schemes in the laboratory has proved to be elusive because of the difficulty of finding a strong resonant pump line or X-ray source. With the advent of the X-ray free electron laser (XFEL) at the SLAC Linac Coherent Light Source (LCLS) we now have a tunable X-ray laser source that can be used to replace the pump line or X-ray source in previously proposed laser schemes and allow researchers to study the physics and feasibility of photo-pumped laser schemes. Many of these photo-pumped schemes are driven by photo-excitation from a resonant line source but others are driven by photo-ionization from a strong non-resonant X-ray source. Three years ago an inner-shell X-ray laser was demonstrated at 849 eV (1.46 nm) in singly ionized neon gas using the XFEL at 960 eV to photo-ionize the 1s electron in neutral neon followed by lasing on the 2p-1s transition in singly-ionized neon. In this paper we model the neon inner shell X-ray laser under similar conditions to those used at LCLS. We investigate how we can improve the efficiency of the neon laser and reduce the drive requirements by tuning the XFEL to the 1s-3p transition in neutral neon in order to create gain on the 2p-1s line in neutral neon. We explore the sensitivity to the drive intensity, pulse duration, and line-width of the XFEL to better understand how to optimize this inner shell laser by understanding the trade-offs between using photo-ionization versus photo-excitation to drive gain in these systems. We also discuss how photo-ionization of L-shell electrons can be used to create lasing on n = 3-2 transitions in materials such as Ar and Cu.
C1 [Nilsen, Joseph] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
RP Nilsen, J (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
EM nilsen1@llnl.gov
NR 7
TC 1
Z9 1
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0930-8989
BN 978-3-319-19521-6; 978-3-319-19520-9
J9 SPRINGER PROC PHYS
PY 2016
VL 169
BP 209
EP 215
DI 10.1007/978-3-319-19521-6_27
PG 7
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BE9PQ
UT WOS:000378036600027
ER
PT S
AU Kuznetsov, I
Filevich, J
Woolston, M
Carlton, DB
Chao, W
Anderson, EH
Bernstein, ER
Crick, DC
Rocca, JJ
Menoni, CS
AF Kuznetsov, I.
Filevich, J.
Woolston, M.
Carlton, D. B.
Chao, W.
Anderson, E. H.
Bernstein, E. R.
Crick, D. C.
Rocca, J. J.
Menoni, C. S.
BE Rocca, J
Menoni, C
Marconi, M
TI Volumetric Composition Imaging at the Nanoscale by Soft X-Ray Laser
Ablation Mass Spectrometry
SO X-RAY LASERS 2014
SE Springer Proceedings in Physics
LA English
DT Proceedings Paper
CT 14th International Conference on X-Ray Lasers
CY MAY 26-30, 2014
CL Colorado State Univ, Fort Collins, CO
HO Colorado State Univ
AB Single shot soft x-ray laser ablation in combination with mass spectrometry is shown to make it possible to detect intact molecular ions from organic and inorganic materials from atto-liter volumes with high sensitivity. The technique is demonstrated to record 3D composition images of heterogeneous samples.
C1 [Kuznetsov, I.; Filevich, J.; Woolston, M.; Carlton, D. B.; Chao, W.; Anderson, E. H.; Bernstein, E. R.; Rocca, J. J.; Menoni, C. S.] Engn Res Ctr Extreme Ultraviolet Sci & Technol, Ft Collins, CO USA.
[Kuznetsov, I.; Filevich, J.; Woolston, M.; Rocca, J. J.; Menoni, C. S.] Colorado State Univ, Elect & Comp Engn, Ft Collins, CO 80523 USA.
[Carlton, D. B.; Chao, W.; Anderson, E. H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA.
[Bernstein, E. R.; Menoni, C. S.] Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA.
[Crick, D. C.] Colorado State Univ, Dept Microbiol Immunol & Pathol, Ft Collins, CO 80523 USA.
RP Menoni, CS (reprint author), Engn Res Ctr Extreme Ultraviolet Sci & Technol, Ft Collins, CO USA.
EM carmen@engr.colostate.edu
NR 9
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0930-8989
BN 978-3-319-19521-6; 978-3-319-19520-9
J9 SPRINGER PROC PHYS
PY 2016
VL 169
BP 225
EP 231
DI 10.1007/978-3-319-19521-6_29
PG 7
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BE9PQ
UT WOS:000378036600029
ER
PT S
AU Marconi, MC
Monserud, N
Malm, E
Wachulak, P
Chao, W
AF Marconi, M. C.
Monserud, N.
Malm, E.
Wachulak, P.
Chao, W.
BE Rocca, J
Menoni, C
Marconi, M
TI Time-Resolved Holography with a Table Top Soft X-Ray Laser
SO X-RAY LASERS 2014
SE Springer Proceedings in Physics
LA English
DT Proceedings Paper
CT 14th International Conference on X-Ray Lasers
CY MAY 26-30, 2014
CL Colorado State Univ, Fort Collins, CO
HO Colorado State Univ
AB We describe the implementation of a Fourier transform holographic setup capable to acquire flash images with 1 ns temporal resolution and 130 nm spatial resolution utilizing a soft X-ray (SXR) table-top laser. Sub-micron scale pillars oscillating at frequencies around 1 MHz were imaged by single shot laser pulses allowing for the composition of "movies" of the oscillating pillars by combining a sequence of single shot images.
C1 [Marconi, M. C.; Monserud, N.; Malm, E.] Colorado State Univ, NSF Engn Res Ctr Extreme Ultraviolet Sci & Techno, Ft Collins, CO 80523 USA.
[Marconi, M. C.; Monserud, N.; Malm, E.] Colorado State Univ, Dept Elect & Comp Engn, Ft Collins, CO 80523 USA.
[Wachulak, P.] Mil Univ Technol, Warsaw, Poland.
[Chao, W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA.
RP Marconi, MC (reprint author), Colorado State Univ, NSF Engn Res Ctr Extreme Ultraviolet Sci & Techno, Ft Collins, CO 80523 USA.; Marconi, MC (reprint author), Colorado State Univ, Dept Elect & Comp Engn, Ft Collins, CO 80523 USA.
EM marconi@engr.colostate.edu
NR 5
TC 0
Z9 0
U1 1
U2 1
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0930-8989
BN 978-3-319-19521-6; 978-3-319-19520-9
J9 SPRINGER PROC PHYS
PY 2016
VL 169
BP 233
EP 238
DI 10.1007/978-3-319-19521-6_30
PG 6
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BE9PQ
UT WOS:000378036600030
ER
PT S
AU Menoni, CS
Nejdl, J
Monserud, N
Howlett, ID
Carlton, D
Anderson, EH
Chao, W
Marconi, MC
Rocca, JJ
AF Menoni, C. S.
Nejdl, J.
Monserud, N.
Howlett, I. D.
Carlton, D.
Anderson, E. H.
Chao, W.
Marconi, M. C.
Rocca, J. J.
BE Rocca, J
Menoni, C
Marconi, M
TI Nanoscale Imaging with Soft X-Ray Lasers
SO X-RAY LASERS 2014
SE Springer Proceedings in Physics
LA English
DT Proceedings Paper
CT 14th International Conference on X-Ray Lasers
CY MAY 26-30, 2014
CL Colorado State Univ, Fort Collins, CO
HO Colorado State Univ
ID EXTREME-ULTRAVIOLET LASER; REPETITION-RATE; RESOLUTION; COMPACT; EUV
AB This paper describes recent advances in full field aerial soft x-ray (SXR) laser microscopes. It also shows these microscopes can be readily configured into a differential holographic microscopy (DHM) geometry to acquire image plane holograms from which amplitude and phase of the object wave are obtained. The ability to quantitatively determine phase is critical at SXR wavelengths when the absorption contrast is low.
C1 [Menoni, C. S.; Nejdl, J.; Monserud, N.; Howlett, I. D.; Carlton, D.; Anderson, E. H.; Chao, W.; Marconi, M. C.; Rocca, J. J.] Colorado State Univ, Natl Sci Fdn, Engn Res Ctr Extreme Ultraviolet Sci & Technol, Ft Collins, CO 80523 USA.
[Menoni, C. S.; Monserud, N.; Howlett, I. D.] Colorado State Univ, Elect & Comp Engn, Ft Collins, CO 80523 USA.
[Carlton, D.; Anderson, E. H.; Chao, W.; Marconi, M. C.; Rocca, J. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA.
[Nejdl, J.] Inst Phys AS CR, ELI Beamlines Project, Prague, Czech Republic.
RP Menoni, CS (reprint author), Colorado State Univ, Natl Sci Fdn, Engn Res Ctr Extreme Ultraviolet Sci & Technol, Ft Collins, CO 80523 USA.
EM carmen.menoni@colostate.edu
OI Howlett, Isela/0000-0003-0555-4005
NR 19
TC 0
Z9 0
U1 5
U2 7
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0930-8989
BN 978-3-319-19521-6; 978-3-319-19520-9
J9 SPRINGER PROC PHYS
PY 2016
VL 169
BP 259
EP 265
DI 10.1007/978-3-319-19521-6_34
PG 7
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BE9PQ
UT WOS:000378036600034
ER
PT S
AU Naulleau, PP
Anderson, CN
Chao, WL
Fischer, P
Goldberg, KA
Gullikson, EM
Miyakawa, R
Kim, SS
Lee, D
Park, J
AF Naulleau, Patrick P.
Anderson, Christopher N.
Chao, Weilun
Fischer, Peter
Goldberg, Kenneth A.
Gullikson, Eric M.
Miyakawa, Ryan
Kim, Seong-Sue
Lee, Donggun
Park, Jongju
BE Rocca, J
Menoni, C
Marconi, M
TI EUV Research at Berkeley Lab: Enabling Technologies and Applications
SO X-RAY LASERS 2014
SE Springer Proceedings in Physics
LA English
DT Proceedings Paper
CT 14th International Conference on X-Ray Lasers
CY MAY 26-30, 2014
CL Colorado State Univ, Fort Collins, CO
HO Colorado State Univ
ID HIGH-HARMONIC GENERATION; EXTREME-ULTRAVIOLET; LIGHT
AB The tremendous progress in the development and deployment of lab scale extreme ultraviolet (EUV) sources over the past decade has opened up the door to a wide variety of new users beyond the traditional synchrotron community. The practical use of such sources, however, is heavily dependent on the availability of EUV optical components. In this manuscript, we describe recent advances at Berkeley Lab in the development of reflective and diffractive optical structures for imaging, wavefront encoding, metrology, spectral filtering, and more.
C1 [Naulleau, Patrick P.; Anderson, Christopher N.; Chao, Weilun; Fischer, Peter; Goldberg, Kenneth A.; Gullikson, Eric M.; Miyakawa, Ryan] Berkeley Lab, Ctr Xray Opt, Berkeley, CA 94720 USA.
[Kim, Seong-Sue; Lee, Donggun; Park, Jongju] Samsung Elect Co Ltd, Hwasung 445701, Gyeonggi, South Korea.
RP Naulleau, PP (reprint author), Berkeley Lab, Ctr Xray Opt, Berkeley, CA 94720 USA.
EM pnaulleau@lbl.gov
NR 14
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0930-8989
BN 978-3-319-19521-6; 978-3-319-19520-9
J9 SPRINGER PROC PHYS
PY 2016
VL 169
BP 293
EP 300
DI 10.1007/978-3-319-19521-6_38
PG 8
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BE9PQ
UT WOS:000378036600038
ER
PT S
AU Li, W
Patel, D
Menoni, CS
Chao, W
Marconi, MC
AF Li, W.
Patel, D.
Menoni, C. S.
Chao, W.
Marconi, M. C.
BE Rocca, J
Menoni, C
Marconi, M
TI Table Top Soft X-ray Laser Used for Fabrication of Periodic
Nanostructures
SO X-RAY LASERS 2014
SE Springer Proceedings in Physics
LA English
DT Proceedings Paper
CT 14th International Conference on X-Ray Lasers
CY MAY 26-30, 2014
CL Colorado State Univ, Fort Collins, CO
HO Colorado State Univ
AB In this paper we report the fabrication of periodic structures utilizing a soft X-ray (SXR) table top laser and Talbot printing. Patterns are first recorded in photoresist, which are then used as sacrificial mask to transfer nanofeatures into noble metals. The laser source used in these experiments is a 46.9 nm table top capillary laser which enables a high spatial resolution to this lithography tool. The smallest critical dimension achieved was 40 nm.
C1 [Li, W.; Patel, D.; Menoni, C. S.; Marconi, M. C.] Colorado State Univ, NSF Engn Res Ctr Extreme Ultraviolet Sci & Techno, Ft Collins, CO 80523 USA.
[Li, W.; Patel, D.; Menoni, C. S.; Marconi, M. C.] Colorado State Univ, Dept Elect & Comp Engn, Ft Collins, CO 80523 USA.
[Chao, W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA.
RP Marconi, MC (reprint author), Colorado State Univ, NSF Engn Res Ctr Extreme Ultraviolet Sci & Techno, Ft Collins, CO 80523 USA.; Marconi, MC (reprint author), Colorado State Univ, Dept Elect & Comp Engn, Ft Collins, CO 80523 USA.
EM marconi@engr.colostate.edu
NR 5
TC 0
Z9 0
U1 5
U2 5
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0930-8989
BN 978-3-319-19521-6; 978-3-319-19520-9
J9 SPRINGER PROC PHYS
PY 2016
VL 169
BP 301
EP 306
DI 10.1007/978-3-319-19521-6_39
PG 6
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BE9PQ
UT WOS:000378036600039
ER
PT S
AU Miyakawa, R
Naulleau, P
AF Miyakawa, R.
Naulleau, P.
BE Rocca, J
Menoni, C
Marconi, M
TI Applications for Coherent Narrow-Band Sources in EUV Lithography
SO X-RAY LASERS 2014
SE Springer Proceedings in Physics
LA English
DT Proceedings Paper
CT 14th International Conference on X-Ray Lasers
CY MAY 26-30, 2014
CL Colorado State Univ, Fort Collins, CO
HO Colorado State Univ
AB In this paper, we discuss the unique application of coherent, narrow-band sources in both wavefront metrology and mask defect inspection which play essential roles in the EUVL ecosystem. For metrology, coherent sources can efficiently supply power to wavefront sensors, whereas current systems using incoherent sources must rely on highly inefficient spatial filters. This advantage may be especially important as next- generation EUVL tools move to higher numerical apertures. For defect inspection, sources with high temporal coherence allow zone plate lenses to replace costly EUV multilayer optics. These zone plates can be programmed to operate with contrast- enhancing techniques like Zernike phase contrast microscopy. Additionally, the coherence allows inspection tools to operate in a scanning mode, similar to a STXM microscope, which can achieve a large field of view without field- dependent aberrations.
C1 [Miyakawa, R.; Naulleau, P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
RP Miyakawa, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM rhmiyakawa@lbl.gov
NR 3
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0930-8989
BN 978-3-319-19521-6; 978-3-319-19520-9
J9 SPRINGER PROC PHYS
PY 2016
VL 169
BP 307
EP 312
DI 10.1007/978-3-319-19521-6_40
PG 6
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BE9PQ
UT WOS:000378036600040
ER
PT S
AU Soufli, R
Robinson, JC
Fernandez-Perea, M
Spiller, E
Brejnholt, NF
Descalle, MA
Pivovaroff, MJ
Gullikson, EM
AF Soufli, R.
Robinson, J. C.
Fernandez-Perea, M.
Spiller, E.
Brejnholt, N. F.
Descalle, M. -A.
Pivovaroff, M. J.
Gullikson, E. M.
BE Rocca, J
Menoni, C
Marconi, M
TI Recent Advances in Multilayer Reflective Optics for EUV/X-Ray Sources
SO X-RAY LASERS 2014
SE Springer Proceedings in Physics
LA English
DT Proceedings Paper
CT 14th International Conference on X-Ray Lasers
CY MAY 26-30, 2014
CL Colorado State Univ, Fort Collins, CO
HO Colorado State Univ
ID LITHOGRAPHY; COATINGS; TOOL
AB This paper discusses the development of (i) corrosion-resistant multilayers for the 25-80 nm region (ii) multilayer mirrors for the first 0.5-NA Micro-Exposure Tools at 13.5 nm and (iii) multilayer mirrors for the soft gamma-ray range.
C1 [Soufli, R.; Robinson, J. C.; Fernandez-Perea, M.; Brejnholt, N. F.; Descalle, M. -A.; Pivovaroff, M. J.] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Spiller, E.] Spiller Xray Opt, Livermore, CA USA.
[Gullikson, E. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Soufli, R (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA.
EM regina.soufli@llnl.gov
NR 13
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0930-8989
BN 978-3-319-19521-6; 978-3-319-19520-9
J9 SPRINGER PROC PHYS
PY 2016
VL 169
BP 331
EP 337
DI 10.1007/978-3-319-19521-6_43
PG 7
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BE9PQ
UT WOS:000378036600043
ER
PT S
AU Wang, S
Wang, Y
Oliva, E
Li, L
Berrill, M
Yin, L
Nejdl, J
Luther, B
Proux, C
Le, TT
Dunn, J
Ros, D
Zeitoun, P
Rocca, JJ
AF Wang, S.
Wang, Y.
Oliva, E.
Li, L.
Berrill, M.
Yin, L.
Nejdl, J.
Luther, B.
Proux, C.
Le, T. Thuy
Dunn, J.
Ros, D.
Zeitoun, Ph.
Rocca, J. J.
BE Rocca, J
Menoni, C
Marconi, M
TI Gain Dynamics in Injection-Seeded Soft X-Ray Laser Plasma Amplifiers
SO X-RAY LASERS 2014
SE Springer Proceedings in Physics
LA English
DT Proceedings Paper
CT 14th International Conference on X-Ray Lasers
CY MAY 26-30, 2014
CL Colorado State Univ, Fort Collins, CO
HO Colorado State Univ
ID COHERENT; NM
AB We present the first measurement of the gain dynamics in an injectionseeded soft x-ray plasma amplifier (Wang et al. Nat. Photon. 8, 381, (2014)). A sequence of two time-delayed spatially-overlapping high harmonic pulses was injected into a lambda = 18.9 nm Ni-like Mo plasma amplifier to measure the regeneration of the population inversion that follows the gain depletion caused by the amplification of the first seed pulse. Collisional excitation is measured to re-establish in about similar to 1.75 ps the population inversion depleted during the amplification of the seed pulse. The measured gain-recovery time is compared to model simulations to gain insight on the population inversion mechanisms that create the transient gain in these amplifiers. The result supports the concept of a soft x-ray laser amplification scheme to generate ultra-intense fully phase-coherent ultrashort soft x-ray laser pulses based on the continuous extraction of energy from a plasma-based amplifier by a stretched seed pulse.
C1 [Wang, S.; Wang, Y.; Yin, L.; Nejdl, J.; Luther, B.; Rocca, J. J.] Natl Sci Fdn, ERC Extreme Ultraviolet Sci & Technol, Ft Collins, CO 80523 USA.
[Wang, S.; Wang, Y.; Yin, L.; Nejdl, J.; Luther, B.; Rocca, J. J.] Colorado State Univ, Ft Collins, CO 80523 USA.
[Oliva, E.; Li, L.; Proux, C.; Le, T. Thuy; Ros, D.; Zeitoun, Ph.] ENSTA Ecole Polytech, Loratoire Opt Appl, Chemin Huniere, F-91761 Palaiseau, France.
[Berrill, M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Dunn, J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Wang, S (reprint author), Natl Sci Fdn, ERC Extreme Ultraviolet Sci & Technol, Ft Collins, CO 80523 USA.; Wang, S (reprint author), Colorado State Univ, Ft Collins, CO 80523 USA.
EM sjwang@engr.colostate.edu
RI Oliva, Eduardo/P-4348-2014;
OI Oliva, Eduardo/0000-0003-2284-0927; Berrill, Mark/0000-0002-4525-3939
NR 10
TC 0
Z9 0
U1 2
U2 3
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0930-8989
BN 978-3-319-19521-6; 978-3-319-19520-9
J9 SPRINGER PROC PHYS
PY 2016
VL 169
BP 351
EP 356
DI 10.1007/978-3-319-19521-6_46
PG 6
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BE9PQ
UT WOS:000378036600046
ER
PT S
AU Jamil, E
Hayat, MM
Davids, PS
Camacho, RM
AF Jamil, Erum
Hayat, Majeed M.
Davids, Paul S.
Camacho, Ryan M.
BE Itzler, MA
Campbell, JC
TI 3D avalanche multiplication in Si-Ge lateral avalanche photodiodes
SO ADVANCED PHOTON COUNTING TECHNIQUES X
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advanced Photon Counting Techniques X
CY APR 20-21, 2016
CL Baltimore, MD
SP SPIE
ID DEAD SPACE; KEY DISTRIBUTION; NOISE; GAIN
AB Si-Ge lateral avalanche photodiodes (Si-Ge LAPDs) are promising devices for single photon detection, but they also have technology challenges. Si-Ge LAPDs are CMOS compatible and capable of detecting photons near the 1550 nm telecommunications bands. However, the Si-Ge LAPD exhibits a unique avalanche multiplication process in silicon, where the electrons and holes follow curved paths in three-dimensional space. Traditional models for the analysis of the avalanche multiplication process assume one-dimensional paths for the carriers that undergo the chains of impact ionizations; therefore, they are not suitable for analyzing the avalanche properties of Si-Ge LAPDs. In this paper, the statistics of the avalanche process in the Si-Ge LAPD are modeled analytically using a method that was recently developed by our group for understanding the avalanche multiplication in nanopillar, core-shell GaAs avalanche photodiodes, for which the electric field is non-uniform in magnitude and direction. Specifically, the calculated mean avalanche gain and the excess noise are presented for the Si-Ge LAPD device. It is also shown that the avalanche characteristics depend upon the specific avalanche path taken by the carrier, which depends, in turn, on the lateral location where each photon is absorbed in the Ge absorber. This property can be exploited to achieve reduced excess noise as well as wavelength-sensitive single-photon detection.
C1 [Jamil, Erum; Hayat, Majeed M.] Univ New Mexico, Ctr High Technol Mat, Albuquerque, NM 87106 USA.
[Jamil, Erum; Hayat, Majeed M.] Univ New Mexico, Dept Elect & Comp Engn, Albuquerque, NM 87106 USA.
[Davids, Paul S.; Camacho, Ryan M.] Sandia Natl Labs, Albuquerque, NM 87123 USA.
RP Jamil, E (reprint author), Univ New Mexico, Ctr High Technol Mat, Albuquerque, NM 87106 USA.; Jamil, E (reprint author), Univ New Mexico, Dept Elect & Comp Engn, Albuquerque, NM 87106 USA.
NR 15
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 978-1-5106-0099-7
J9 PROC SPIE
PY 2016
VL 9858
AR 98580I
DI 10.1117/12.2225037
PG 7
WC Optics; Physics, Applied
SC Optics; Physics
GA BE9KO
UT WOS:000377708700006
ER
PT J
AU Rickard, L
Choi, WC
AF Rickard, Larry
Choi, Wonchang
TI Evaluation of Subsurface Damage in Concrete Deck Joints Using Impact
Echo Method
SO ADVANCES IN MATERIALS SCIENCE AND ENGINEERING
LA English
DT Article
ID TIME-FREQUENCY ANALYSIS
AB Many factors can affect the overall performance and longevity of highway bridges, including the integrity of their deck joints. This study focuses on the evaluation of subsurface damage in deteriorated concrete deck joints, which includes the delamination and corrosion of the reinforcement. Impact echo and surface wave technology, mainly a portable seismic property analyzer (PSPA), were employed to evaluate the structural deficiency of concrete joints. Laboratory tests of core samples were conducted to verify the nondestructive test results. The primary advantage of the PSPA as a bridge assessment tool lies in its ability to assess the concrete's modulus and to detect subsurface defects at a particular point simultaneously.
C1 [Rickard, Larry] Sandia Natl Labs, Kansas City, MO 64147 USA.
[Choi, Wonchang] Gachon Univ, Dept Architectural Engn, Songnam 461701, Gyeonggi Do, South Korea.
RP Choi, WC (reprint author), Gachon Univ, Dept Architectural Engn, Songnam 461701, Gyeonggi Do, South Korea.
EM wonchang.choi@gmail.com
NR 13
TC 0
Z9 0
U1 5
U2 6
PU HINDAWI PUBLISHING CORP
PI NEW YORK
PA 315 MADISON AVE 3RD FLR, STE 3070, NEW YORK, NY 10017 USA
SN 1687-8434
EI 1687-8442
J9 ADV MATER SCI ENG
JI Adv. Mater. Sci. Eng.
PY 2016
AR 8230398
DI 10.1155/2016/8230398
PG 7
WC Materials Science, Multidisciplinary
SC Materials Science
GA DN9KS
UT WOS:000377399100001
ER
PT J
AU Litvinov, J
Moen, ST
Koh, CY
Singh, AK
AF Litvinov, Julia
Moen, Scott T.
Koh, Chung-Yan
Singh, Anup K.
TI Centrifugal sedimentation immunoassays for multiplexed detection of
enteric bacteria in ground water
SO BIOMICROFLUIDICS
LA English
DT Article; Proceedings Paper
CT 5th International Conference on Optofluidics (Optofluidics)
CY JUL 26-29, 2015
CL Taipei, TAIWAN
SP Minist Sci & Technol, Bur Foreign Trade, Natl Taiwan Univ, Academia Sinica, Res Ctr Appl Sci
ID ESCHERICHIA-COLI O157-H7; SALMONELLA; SHIGELLA; DEVICE; PCR; PATHOGENS;
ARRAY; FOOD
AB Waterborne pathogens pose significant threat to the global population and early detection plays an important role both in making drinking water safe, as well as in diagnostics and treatment of water-borne diseases. We present an innovative centrifugal sedimentation immunoassay platform for detection of bacterial pathogens in water. Our approach is based on binding of pathogens to antibody-functionalized capture particles followed by sedimentation of the particles through a density-media in a microfluidic disk. Beads at the distal end of the disk are imaged to quantify the fluorescence and determine the bacterial concentration. Our platform is fast (20 min), can detect as few as similar to 10 bacteria with minimal sample preparation, and can detect multiple pathogens simultaneously. The platform was used to detect a panel of enteric bacteria (Escherichia coli, Salmonella typhimurium, Shigella, Listeria, and Campylobacter) spiked in tap and ground water samples. (C) 2016 AIP Publishing LLC.
C1 [Litvinov, Julia; Moen, Scott T.; Singh, Anup K.] Univ Texas Med Branch, Dept Microbiol & Immunol, Galveston, TX 77555 USA.
[Moen, Scott T.; Koh, Chung-Yan; Singh, Anup K.] Sandia Natl Labs, Biotechnol & Bioengn Dept, Livermore, CA 94550 USA.
RP Litvinov, J (reprint author), Univ Texas Med Branch, Dept Microbiol & Immunol, Galveston, TX 77555 USA.
NR 32
TC 1
Z9 1
U1 10
U2 17
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 1932-1058
J9 BIOMICROFLUIDICS
JI Biomicrofluidics
PD JAN
PY 2016
VL 10
IS 1
AR 014103
DI 10.1063/1.4939099
PG 9
WC Biochemical Research Methods; Biophysics; Nanoscience & Nanotechnology;
Physics, Fluids & Plasmas
SC Biochemistry & Molecular Biology; Biophysics; Science & Technology -
Other Topics; Physics
GA DO1KI
UT WOS:000377536500021
PM 26858815
ER
PT J
AU Wang, S
Jeon, O
Shankles, PG
Liu, Y
Alsberg, E
Retterer, ST
Lee, BP
Choi, CK
AF Wang, Shuo
Jeon, Oju
Shankles, Peter G.
Liu, Yuan
Alsberg, Eben
Retterer, Scott T.
Lee, Bruce P.
Choi, Chang Kyoung
TI In-situ photopolymerization of monodisperse and discoid oxidized
methacrylated alginate microgels in a microfluidic channel
SO BIOMICROFLUIDICS
LA English
DT Article
ID CELL ENCAPSULATION; HYDROGELS; BIOMATERIALS; DEGRADATION; DEVICE
AB We present a simple microfluidic technique to in-situ photopolymerize (by 365 nm ultraviolet) monodisperse oxidized methacrylated alginate (OMA) microgels using a photoinitiator (VA-086). By this technique, we generated monodisperse spherical OMA beads and discoid non-spherical beads with better shape consistency than ionic crosslinking methods do. We found that a high monomer concentration (8 w/v%), a high photoinitiator concentration (1.5w/v %), and absence of oxygen are critical factors to cure OMA microgels. This photopolymerizing method is an alternative to current methods to form alginate microgels and is a simpler approach to generate non-spherical alginate microgels. (C) 2016 AIP Publishing LLC.
C1 [Wang, Shuo; Choi, Chang Kyoung] Michigan Technol Univ, Dept Mech Engn Engn Mech, Houghton, MI 49931 USA.
[Jeon, Oju; Alsberg, Eben] Case Western Reserve Univ, Dept Biomed Engn, Cleveland, OH 44106 USA.
[Shankles, Peter G.; Retterer, Scott T.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Shankles, Peter G.; Retterer, Scott T.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
[Shankles, Peter G.; Retterer, Scott T.] Univ Tennessee, Bredesen Ctr, Knoxville, TN 37996 USA.
[Liu, Yuan; Lee, Bruce P.] Michigan Technol Univ, Dept Biomed Engn, Houghton, MI 49931 USA.
[Alsberg, Eben] Case Western Reserve Univ, Dept Orthopaed Surg, Cleveland, OH 44106 USA.
RP Choi, CK (reprint author), Michigan Technol Univ, Dept Mech Engn Engn Mech, Houghton, MI 49931 USA.
EM cchoi@mtu.edu
OI Lee, Bruce/0000-0002-6529-0032; Liu, Yuan/0000-0002-1480-6940
FU National Institutes of Health [R01AR063194, R01AR066193, T32AR007505,
R15GM104846]
FX Fabrication of the microfluidic channels was conducted at the Center for
Nanophase Materials Sciences, which is a DOE Office of Science User
Facility (CKC, CNMS2014-R19). The authors thank Dr. Jae Yong Suh for
help with the UV power measurement. We are grateful to Dr. Jeffrey S.
Allen and Dr. Patricia A. Heiden at Michigan Tech for their critical
discussions and advice. The authors gratefully acknowledge the funding
from the National Institutes of Health under Award Nos. R01AR063194 and
R01AR066193 (E.A.), T32AR007505 (O.J.), and R15GM104846 (B.P.L.). The
contents of this publication are solely the responsibility of the
authors and do not necessarily represent the official views of the
National Institutes of Health.
NR 17
TC 0
Z9 0
U1 6
U2 10
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 1932-1058
J9 BIOMICROFLUIDICS
JI Biomicrofluidics
PD JAN
PY 2016
VL 10
IS 1
AR 011101
DI 10.1063/1.4941339
PG 4
WC Biochemical Research Methods; Biophysics; Nanoscience & Nanotechnology;
Physics, Fluids & Plasmas
SC Biochemistry & Molecular Biology; Biophysics; Science & Technology -
Other Topics; Physics
GA DO1KI
UT WOS:000377536500001
PM 26865901
ER
PT J
AU He, B
Zherebetskyy, D
Wang, HX
Kolaczkowski, MA
Klivansky, LM
Tan, TW
Wang, LW
Liu, Y
AF He, Bo
Zherebetskyy, Danylo
Wang, Hongxia
Kolaczkowski, Matthew A.
Klivansky, Liana M.
Tan, Tianwei
Wang, Linwang
Liu, Yi
TI Rational tuning of high-energy visible light absorption for panchromatic
small molecules by a two-dimensional conjugation approach
SO CHEMICAL SCIENCE
LA English
DT Article
ID HETEROJUNCTION SOLAR-CELLS; 25TH ANNIVERSARY ARTICLE; ORGANIC
ELECTRONICS; BUILDING-BLOCKS; PERFORMANCE; ACCEPTOR; POLYMERS; DESIGN;
PHOTODETECTORS; SEMICONDUCTORS
AB We have demonstrated a rational two-dimensional (2D) conjugation approach towards achieving panchromatic absorption of small molecules. By extending the conjugation on two orthogonal axes of an electron acceptor, namely, bay-annulated indigo (BAI), the optical absorptions could be tuned independently in both high-and low-energy regions. The unconventional modulation of the high-energy absorption is rationalized by density functional theory (DFT) calculations. Such a 2D tuning strategy provides novel guidelines for the design of molecular materials with tailored optoelectronic properties.
C1 [He, Bo; Kolaczkowski, Matthew A.; Klivansky, Liana M.; Liu, Yi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Zherebetskyy, Danylo; Wang, Linwang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mat Sci Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Wang, Hongxia; Tan, Tianwei] Beijing Univ Chem Technol, Coll Life Sci & Technol, Beijing Key Lab Bioproc, Beijing 100029, Peoples R China.
RP Liu, Y (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM yliu@lbl.gov
RI Liu, yi/A-3384-2008
OI Liu, yi/0000-0002-3954-6102
FU Self-Assembly of Organic/Inorganic Nanocomposite Materials program by
the Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy; Office of Science, Office of Basic Energy
Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; National
Basic Research Program of China (973 program) [2013CB733600]; National
Nature Science Foundation of China [21436002, 21390202]
FX This work was supported by Self-Assembly of Organic/Inorganic
Nanocomposite Materials program, and was performed at the Molecular
Foundry, both supported by the Office of Science, Office of Basic Energy
Sciences, of the U.S. Department of Energy under Contract No.
DE-AC02-05CH11231. H. W. and T. T. acknowledges the support from
National Basic Research Program of China (973 program: 2013CB733600) and
the National Nature Science Foundation of China (Grant No. 21436002,
21390202).
NR 42
TC 3
Z9 3
U1 12
U2 21
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 2016
VL 7
IS 6
BP 3857
EP 3861
DI 10.1039/c6sc00428h
PG 5
WC Chemistry, Multidisciplinary
SC Chemistry
GA DN7ND
UT WOS:000377262200048
ER
PT J
AU Khateeb, S
Guerreo, S
Su, D
Darling, RM
Protsailo, LV
Shao, MH
AF Khateeb, Siddique
Guerreo, Sandra
Su, Dong
Darling, Robert M.
Protsailo, Lesia V.
Shao, Minhua
TI Fuel Cell Performance of Palladium-Platinum Core-Shell Electrocatalysts
Synthesized in Gram-Scale Batches
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID OXYGEN REDUCTION REACTION; MONOLAYER ELECTROCATALYSTS; CATALYSTS;
STABILITY
AB This paper presents the performance of palladium-platinum core-shell catalysts (Pt/Pd/C) for oxygen reduction synthesized in gram-scale batches in both liquid cells and polymer-electrolyte membrane fuel cells. Core-shell catalyst synthesis and characterization, ink fabrication, and cell assembly details are discussed. The Pt mass activity of the Pt/Pd core-shell catalyst was 0.95 A mg(-1) at 0.9 V measured in liquid cells (0.1 M HClO4), which was 4.8 times higher than a commercial Pt/C catalyst. The performances of Pt/Pd/C and Pt/C in large single cells (315 cm(2)) were assessed under various operating conditions. The core-shell catalyst showed consistently higher performance than commercial Pt/C in fuel cell testing. A 20-60 mV improvement across the whole current density range was observed on air. Sensitivities to temperature, humidity, and gas composition were also investigated and the core-shell catalyst showed a consistent benefit over Pt under all conditions. However, the 4.8 times activity enhancement predicated by liquid cell measurements was not fully realized in fuel cells. (C) 2016 The Electrochemical Society. All rights reserved.
C1 [Khateeb, Siddique; Guerreo, Sandra; Darling, Robert M.; Protsailo, Lesia V.] UTC Power, South Windsor, CT 06074 USA.
[Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Shao, Minhua] Hong Kong Univ Sci & Technol, Dept Biomol & Chem Engn, Kowloon, Hong Kong, Peoples R China.
[Darling, Robert M.; Protsailo, Lesia V.] United Technol Res Ctr, E Hartford, CT 06108 USA.
RP Shao, MH (reprint author), Hong Kong Univ Sci & Technol, Dept Biomol & Chem Engn, Kowloon, Hong Kong, Peoples R China.
EM kemshao@ust.hk
RI Su, Dong/A-8233-2013
OI Su, Dong/0000-0002-1921-6683
FU Research grant Council of the Hong Kong Special Administrative Region
[IGN13EG05, 26206115]; Hong Kong University of Science and Technology;
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-98CH10886]; Synchrotron Catalysis Consortium (DOE BES
grant) [DE-FG02-03ER15688]
FX The authors thank Marianne Pemberton and Michael Humbert for helping
synthesis and evaluate the catalysts. The work at the Hong Kong
University of Science and Technology was supported by Research grant
Council of the Hong Kong Special Administrative Region (IGN13EG05 and
26206115) and a startup fund from the Hong Kong University of Science
and Technology. Use of the National Synchrotron Light Source (NSLS) and
Center for Functional Nanomaterials (CFN) at Brookhaven National
Laboratory was supported by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, under Contract No.
DE-AC02-98CH10886. Beamline X18A at the NSLS is supported in part by the
Synchrotron Catalysis Consortium (DOE BES grant DE-FG02-03ER15688).
NR 23
TC 5
Z9 5
U1 11
U2 20
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 2016
VL 163
IS 7
BP F708
EP F713
DI 10.1149/2.1301607jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA DN9PW
UT WOS:000377412900111
ER
PT J
AU Zenyuk, IV
Das, PK
Weber, AZ
AF Zenyuk, Iryna V.
Das, Prodip K.
Weber, Adam Z.
TI Understanding Impacts of Catalyst-Layer Thickness on Fuel-Cell
Performance via Mathematical Modeling
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID GAS-DIFFUSION LAYERS; OXYGEN REDUCTION REACTION; POLYMER-ELECTROLYTE
MEMBRANES; RAY COMPUTED-TOMOGRAPHY; LIQUID WATER TRANSPORT;
CAPILLARY-PRESSURE; EXCHANGE MEMBRANES; COLD-START; LOW-TEMPERATURES;
NSTF ELECTRODES
AB In this article, a two-dimensional, multiphase, transient model is introduced and used to explore the impact of catalyst-layer thickness on performance. In particular, the tradeoffs between water production and removal through transport or evaporation are highlighted, with a focus on low-temperature performance. For the latter, a case study of an ultra-thin catalyst layer is undergone to explore how various material properties alter the steady-state and startup performance of a cell. The findings provide understanding and guidance to optimize fuel-cell performance with thin electrodes. (C) The Author(s) 2016. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution 4.0 License (CC BY, http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse of the work in any medium, provided the original work is properly cited. All rights reserved.
C1 [Zenyuk, Iryna V.; Weber, Adam Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Convers Grp, Energy Technol Area, Berkeley, CA 94720 USA.
[Zenyuk, Iryna V.] Tufts Univ, Dept Mech Engn, Medford, MA 02155 USA.
[Das, Prodip K.] Newcastle Univ, Sch Mech & Syst Engn, Stephenson Bldg, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England.
RP Weber, AZ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Convers Grp, Energy Technol Area, Berkeley, CA 94720 USA.
EM azweber@lbl.gov
OI Weber, Adam/0000-0002-7749-1624; Zenyuk, Iryna/0000-0002-1612-0475
FU Fuel Cell Technologies Office, Energy Efficiency and Renewable Energy,
of the U.S. Department of Energy [DE-AC02-05CH11231]
FX The authors thank Mike Perry at UTRC for the polarization data and
discussions, and Andy Steinbach at 3M for helpful discussion. This work
was supported by the Fuel Cell Technologies Office, Energy Efficiency
and Renewable Energy, of the U.S. Department of Energy under contract
number DE-AC02-05CH11231.
NR 103
TC 5
Z9 5
U1 13
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 2016
VL 163
IS 7
BP F691
EP F703
DI 10.1149/2.1161607jes
PG 13
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA DN9PW
UT WOS:000377412900109
ER
PT J
AU Pandey, TP
Sarode, HN
Yang, YT
Yang, Y
Vezzu, K
Di Noto, V
Seifert, S
Knauss, DM
Liberatore, MW
Herring, AM
AF Pandey, Tara P.
Sarode, Himanshu N.
Yang, Yating
Yang, Yuan
Vezzu, Keti
Di Noto, Vito
Seifert, Soenke
Knauss, Daniel M.
Liberatore, Matthew W.
Herring, Andrew M.
TI A Highly Hydroxide Conductive, Chemically Stable Anion Exchange
Membrane, Poly(2,6 dimethyl 1,4 phenylene oxide)-b-Poly(vinyl benzyl
trimethyl ammonium), for Electrochemical Applications
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID FUEL-CELL MEMBRANES; ALKALINE STABILITY; POLYMER; TRANSPORT; INTERPLAY;
RELAXATIONS; COPOLYMERS; COMPLEXES; MECHANISM; DEVICES
AB A chemically stable copolymer [poly(2,6 dimethyl 1,4 phenylene oxide)-b-poly(vinyl benzyl trimethyl ammonium)] with two ion exchange capacities, 3.2 and 2.9 meq g(-1), was prepared as anion exchange membranes (AEM-3.2 and AEM-2.9). These materials showed high OH- conductivities of 138 mS.cm(-1) and 106 mS.cm(-1), for AEM-3.2 and AEM-2.9 respectively, at 60 degrees C, and 95% RH. The OH- conductivity = 45 mS.cm(-1) for AEM-3.2 at 60% RH and 60 degrees C in the absence of CO2. Amongst the ions studied, only OH- is fully dissociated at high RH. The lower E-a = 10-13 kJ.mol(-1) for OH- compared to F- similar to 20 kJ.mol(-1) in conductivity measurements, and of H2O from self-diffusion coefficients suggests the presence of a Grotthuss hopping transport mechanism in OH- transport. PGSE-NMR of H2O and F- show that the membranes have low tortuosity, 1.8 and 1.2, and high water self-diffusion coefficients, 0.66 and 0.26 x 10(-5) cm(2).s(-1), for AEM-3.2 and AEM-2.9 respectively. SAXS and TEM show that the membrane has several different sized water environments, ca. 62 nm, 20 nm, and 3.5 nm. The low water uptake, lambda = 9-12, reduced swelling, and high OH- conductivity, with no chemical degradation over two weeks, suggests that the membrane is a strong candidate for electrochemical applications. (C) The Author(s) 2016. Published by ECS. All rights reserved.
C1 [Pandey, Tara P.; Sarode, Himanshu N.; Herring, Andrew M.] Colorado Sch Mines, Dept Chem & Biol Engn, Golden, CO 80401 USA.
[Yang, Yating; Yang, Yuan; Knauss, Daniel M.] Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA.
[Vezzu, Keti; Di Noto, Vito] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
[Seifert, Soenke] Univ Padua, Sect Chem Technol & Energy, Dept Ind Engn, I-35131 Padua, Italy.
[Seifert, Soenke] Univ Padua, Dept Chem Sci, I-35131 Padua, Italy.
[Liberatore, Matthew W.] Univ Toledo, Dept Chem & Environm Engn, Toledo, OH 43606 USA.
RP Herring, AM (reprint author), Colorado Sch Mines, Dept Chem & Biol Engn, Golden, CO 80401 USA.
EM aherring@mines.edu
RI Liberatore, Matthew/B-6828-2008;
OI Herring, Andrew/0000-0001-7318-5999; DI NOTO, VITO/0000-0002-8030-6979
FU Army Research Office under MURI program [W911NF-11-1-0462]; National
Science Foundation under an MRI grant [CHE-0923537]; DOE Office of
Science by Argonne National Laboratory [DE-AC02-06CH11357]
FX The authors thank the Army Research Office for support of this research
under the MURI program, grant W911NF-11-1-0462, and The Colorado School
of Mines NMR facility funded by National Science Foundation under an MRI
grant CHE-0923537. 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 50
TC 4
Z9 4
U1 25
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 2016
VL 163
IS 7
BP H513
EP H520
DI 10.1149/2.0421607jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA DN9PW
UT WOS:000377412900127
ER
PT J
AU Stevens, JC
Weber, AZ
AF Stevens, John C.
Weber, Adam Z.
TI A Computational Study of Optically Concentrating, Solar-Fuels Generators
from Annual Thermal- and Fuel-Production Efficiency Perspectives
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID CONVECTION HEAT-TRANSFER; WATER-SPLITTING SYSTEMS; HYDROGEN-PRODUCTION;
NATURAL CONVECTION; NEUTRAL PH; CELLS; PHOTOELECTROLYSIS; TEMPERATURE;
PERFORMANCE; EVOLUTION
AB The commercial deployment of wireless photoelectrochemical cells (PECs) may provide a viable means to close the anthropogenic carbon cycle associated with the global transportation sector. The growing body of research on PECs has largely focused on developing and integrating the materials necessary for robust, efficient solar-fuel production on the laboratory benchtop. While these efforts are a prerequisite for the commercialization of PECs, deployed PECs will have to contend with extreme heat, cold, and insolation variations in the outdoor environment. They will also have to operate efficiently throughout their lifetime and in multiple locations. This paper reports a computational framework for estimating the hourly profiles of time-varying temperature and solar-to-hydrogen efficiency that optically concentrating, wireless PECs will attain over the course of a typical year. It is found that annual weighted average solar-to-hydrogen efficiencies in excess of 9 to 11% can be achieved in extremely cloudy and sunny locations, respectively. Additionally, typical PECs will likely incur damage due to overheating or freezing; measures to protect PECs from extreme heat and cold are outlined. The findings also help to bring into focus issues regarding real-world deployment of energy-generation technologies and methodologies towards tackling them. (C) The Author(s) 2016. Published by ECS. All rights reserved.
C1 [Stevens, John C.; Weber, Adam Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
[Stevens, John C.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA.
RP Weber, AZ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
EM azweber@lbl.gov
OI Weber, Adam/0000-0002-7749-1624
FU Office of Science of the U.S. Department of Energy [DE-SC0004993]
FX The authors thank Dr. Meenesh Singh for guidance and discussions
pertaining to the electrochemical system modeling. They would also like
to thank Dr. Will Tong for his assistance in measuring optical-property
data for the protection layer. This material is based upon 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.
NR 59
TC 1
Z9 1
U1 3
U2 8
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 2016
VL 163
IS 7
BP H475
EP H484
DI 10.1149/2.0121607jes
PG 10
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA DN9PW
UT WOS:000377412900122
ER
PT J
AU Sutter, P
Tenney, SA
Ivars-Barcelo, F
Wu, L
Zhu, Y
Sutter, E
AF Sutter, P.
Tenney, S. A.
Ivars-Barcelo, F.
Wu, L.
Zhu, Y.
Sutter, E.
TI Alloy oxidation as a route to chemically active nanocomposites of gold
atoms in a reducible oxide matrix
SO NANOSCALE HORIZONS
LA English
DT Article
ID ROOM-TEMPERATURE OXIDATION; CORE-SHELL NANOCRYSTALS; THIN-FILM COUPLES;
HIGH-INDEX FACETS; METAL NANOCRYSTALS; PHASE FORMATION; TIN FILMS;
AU-IN; NANOPARTICLES; SIZE
AB While nanoparticles are being pursued actively for a number of applications, dispersed atomic species have been explored far less in functional materials architectures, primarily because composites comprising dispersed atoms are challenging to synthesize and difficult to stabilize against sintering or coarsening. Here we show that room temperature oxidation of Au-Sn alloys produces nanostructures whose surface is terminated by a reducible amorphous oxide that contains atomically dispersed Au. Analysis of the oxidation process shows that the dispersal of Au in the oxide can be explained by predominant oxygen anion diffusion and kinetically limitedmetalmass transport, which restrict phase separation due to a preferential oxidation of Sn. Nanostructures prepared by oxidation of nanoscale Au-Sn alloys with intermediate Au content (30-50%) show high activity in a CO-oxidation probe reaction due to a cooperative mechanism involving Au atoms as sites for CO adsorption and reaction to CO2 embedded in a reducible oxide that serves as a renewable oxygen reservoir. Our results demonstrate a reliable approach toward nanocomposites involving oxide-embedded, atomically dispersed noble metal species.
C1 [Sutter, P.] Univ Nebraska, Dept Elect & Comp Engn, Lincoln, NE 68588 USA.
[Tenney, S. A.; Ivars-Barcelo, F.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Wu, L.; Zhu, Y.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
[Sutter, E.] Univ Nebraska, Dept Mech & Mat Engn, Lincoln, NE 68588 USA.
RP Sutter, P (reprint author), Univ Nebraska, Dept Elect & Comp Engn, Lincoln, NE 68588 USA.
EM psutter@unl.edu
RI Ivars-Barcelo, Francisco/J-9560-2015
OI Ivars-Barcelo, Francisco/0000-0002-5896-7623
NR 50
TC 1
Z9 1
U1 4
U2 4
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2055-6756
EI 2055-6764
J9 NANOSCALE HORIZ
JI Nanoscale Horiz.
PY 2016
VL 1
IS 3
BP 212
EP 219
DI 10.1039/c5nh00123d
PG 8
WC Nanoscience & Nanotechnology
SC Science & Technology - Other Topics
GA DN7YQ
UT WOS:000377296500004
ER
PT J
AU Anasori, B
Shi, CY
Moon, EJ
Xie, Y
Voigt, CA
Kent, PRC
May, SJ
Billinge, SJL
Barsoum, MW
Gogotsi, Y
AF Anasori, Babak
Shi, Chenyang
Moon, Eun Ju
Xie, Yu
Voigt, Cooper A.
Kent, Paul R. C.
May, Steven J.
Billinge, Simon J. L.
Barsoum, Michel W.
Gogotsi, Yury
TI Control of electronic properties of 2D carbides (MXenes) by manipulating
their transition metal layers
SO NANOSCALE HORIZONS
LA English
DT Article
ID PAIR DISTRIBUTION FUNCTION; 2-DIMENSIONAL MATERIALS; TITANIUM CARBIDE;
NANOELECTRONICS; GRAPHENE; PROGRAM; FAMILY; OH
AB In this study, a transition from metallic to semiconducting-like behavior has been demonstrated in two-dimensional (2D) transition metal carbides by replacing titanium with molybdenum in the outer transition metal (M) layers of M3C2 and M4C3 MXenes. The MXene structure consists of n + 1 layers of near-close packed M layers with C or N occupying the octahedral site between them in an [MX](n)M arrangement. Recently, two new families of ordered 2D double transition metal carbides MXenes were discovered, M-2'M '' C-2 and M-2'M-2 '' C-3 -where M' and M '' are two different early transition metals, such as Mo, Cr, Ta, Nb, V, and Ti. The M' atoms only occupy the outer layers and the M '' atoms fill the middle layers. In other words, M' atomic layers sandwich the middle M ''-C layers. Using X-ray atomic pair distribution function (PDF) analysis on Mo2TiC2 and Mo2Ti2C3 MXenes, we present the first quantitative analysis of structures of these novel materials and experimentally confirm that Mo atoms are in the outer layers of the [ MC] nM structures. The electronic properties of these Mo-containing MXenes are compared with their Ti3C2 counterparts, and are found to be no longer metallic-like conductors; instead the resistance increases mildly with decreasing temperatures. Density functional theory (DFT) calculations suggest that OH terminated Mo-Ti MXenes are semiconductors with narrow band gaps. Measurements of the temperature dependencies of conductivities and magnetoresistances have confirmed that Mo2TiC2Tx exhibits semiconductor-like transport behavior, while Ti3C2Tx is a metal. This finding opens new avenues for the control of the electronic and optical applications of MXenes and for exploring new applications, in which semiconducting properties are required.
C1 [Anasori, Babak; Moon, Eun Ju; Voigt, Cooper A.; May, Steven J.; Barsoum, Michel W.; Gogotsi, Yury] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA.
[Anasori, Babak; Gogotsi, Yury] Drexel Univ, AJ Drexel Nanomat Inst, Philadelphia, PA 19104 USA.
[Shi, Chenyang; Billinge, Simon J. L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
[Xie, Yu; Kent, Paul R. C.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37381 USA.
[Kent, Paul R. C.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37381 USA.
[Billinge, Simon J. L.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
RP Gogotsi, Y (reprint author), Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA.; Gogotsi, Y (reprint author), Drexel Univ, AJ Drexel Nanomat Inst, Philadelphia, PA 19104 USA.
EM gogotsi@drexel.edu
RI Kent, Paul/A-6756-2008; May, Steven/D-8563-2011; Xie, Yu/E-5875-2011
OI Kent, Paul/0000-0001-5539-4017; May, Steven/0000-0002-8097-1549; Xie,
Yu/0000-0002-7782-5428
NR 51
TC 8
Z9 8
U1 10
U2 30
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2055-6756
EI 2055-6764
J9 NANOSCALE HORIZ
JI Nanoscale Horiz.
PY 2016
VL 1
IS 3
BP 227
EP 234
DI 10.1039/c5nh00125k
PG 8
WC Nanoscience & Nanotechnology
SC Science & Technology - Other Topics
GA DN7YQ
UT WOS:000377296500006
ER
PT B
AU Ameen, MM
Yang, XF
Kuo, TW
Xue, QL
Som, S
AF Ameen, Muhsin M.
Yang, Xiaofeng
Kuo, Tang-Wei
Xue, Qingluan
Som, Sibendu
GP ASME
TI LES FOR SIMULATING THE GAS EXCHANGE PROCESS IN A SPARK IGNITION ENGINE
SO PROCEEDINGS OF THE ASME INTERNAL COMBUSTION ENGINE DIVISION FALL
TECHNICAL CONFERENCE, 2015, VOL 2
LA English
DT Proceedings Paper
CT ASME Internal Combustion Engine Division Fall Technical Conference
CY NOV 08-11, 2015
CL Houston, TX
SP ASME, Internal Combust Engine Div
ID LARGE-EDDY SIMULATION; TURBULENT FLOWS
AB The gas exchange process is known to be a significant source of cyclic variability in Internal Combustion Engines (ICE). Traditionally, Large Eddy Simulations (LES) are expected to capture these cycle-to-cycle variations. This paper reports a numerical effort to establish best practices for capturing cyclic variability with LES tools in a Transparent Combustion Chamber (TCC) spark ignition engine. The main intention is to examine the sensitivity of cycle averaged mean and Root Mean Square (RMS) flow fields and Proper Orthogonal Decomposition (POD) modes to different computational hardware, adaptive mesh refinement (AMR) and LES sub-grid scale (SGS) models, since these aspects have received little attention in the past couple of decades. This study also examines the effect of near-wall resolution on the predicted wall shear stresses. LES is pursued with commercially available CONVERGE code. Two different SGS models are tested, a one-equation eddy viscosity model and dynamic structure model. The results seem to indicate that both mean and RMS fields without any SGS model are not much different than those with LES models, either one-equation eddy viscosity or dynamic structure model. Computational hardware results in subtle quantitative differences, especially in RMS distributions. The influence of AMR on both mean and RMS fields is negligible. The predicted shear stresses near the liner walls is also found to be relatively insensitive to near-wall resolution except in the valve curtain region.
C1 [Ameen, Muhsin M.; Xue, Qingluan; Som, Sibendu] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Yang, Xiaofeng; Kuo, Tang-Wei] Gen Motors R&D, Warren, MI USA.
RP Ameen, MM (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
NR 21
TC 0
Z9 0
U1 1
U2 1
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5728-1
PY 2016
AR V002T06A001-1
PG 13
WC Engineering, Mechanical
SC Engineering
GA BE9IW
UT WOS:000377638900017
ER
PT B
AU Busch, S
Zha, K
Warey, A
Pesce, F
Peterson, R
AF Busch, Stephen
Zha, Kan
Warey, Alok
Pesce, Francesco
Peterson, Richard
GP ASME
TI ON THE REDUCTION OF COMBUSTION NOISE BY A CLOSE-COUPLED PILOT INJECTION
IN A SMALL-BORE DI DIESEL ENGINE
SO PROCEEDINGS OF THE ASME INTERNAL COMBUSTION ENGINE DIVISION FALL
TECHNICAL CONFERENCE, 2015, VOL 2
LA English
DT Proceedings Paper
CT ASME Internal Combustion Engine Division Fall Technical Conference
CY NOV 08-11, 2015
CL Houston, TX
SP ASME, Internal Combust Engine Div
AB For a pilot-main injection strategy in a single cylinder light duty diesel engine, the dwell between the pilot- and main injection events can significantly impact combustion noise. As the solenoid energizing dwell decreases below 200 mu s, combustion noise decreases by approximately 3 dB and then increases again at shorter dwells. A zero-dimensional thermodynamic model has been developed to capture the combustion-noise reduction mechanism; heat-release profiles are the primary simulation input and approximating them as top-hat shapes preserves the noise-reduction effect. A decomposition of the terms of the underlying thermodynamic equation reveals that the direct influence of heat-release on the temporal variation of cylinder-pressure is primarily responsible for the trend in combustion noise. Fourier analyses reveal the mechanism responsible for the reduction in combustion noise as a destructive interference in the frequency range between approximately 1 kHz and 3 kHz. This interference is dependent on the timing of increases in cylinder-pressure during pilot heat-release relative to those during main heat-release. The mechanism by which combustion noise is attenuated is fundamentally different from the traditional noise reduction that occurs with the use of long-dwell pilot injections, for which noise is reduced primarily by shortening the ignition delay of the main injection. Band-pass filtering of measured cylinder pressure traces provides evidence of this noise-reduction mechanism in the real engine.
When this close-coupled pilot noise-reduction mechanism is active, metrics derived from cylinder-pressure such as the location of 50% heat-release, peak heat-release rates, and peak rates of pressure rise cannot be used reliably to predict trends in combustion noise. The quantity and peak value of the pilot heat-release affect the combustion noise reduction mechanism, and maximum noise reduction is achieved when the height and steepness of the pilot heat-release profile are similar to the initial rise of the main heat-release event. A variation of the initial rise-rate of the main heat-release event reveals trends in combustion noise that are the opposite of what would happen in the absence of a close-coupled pilot. The noise-reduction mechanism shown in this work may be a powerful tool to improve the tradeoffs among fuel efficiency, pollutant emissions, and combustion noise.
C1 [Busch, Stephen; Zha, Kan] Sandia Natl Labs, Livermore, CA USA.
[Warey, Alok; Pesce, Francesco; Peterson, Richard] Gen Motors, Warren, MI USA.
RP Busch, S (reprint author), Sandia Natl Labs, Livermore, CA USA.
NR 28
TC 0
Z9 0
U1 1
U2 1
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5728-1
PY 2016
AR V002T06A003-1
PG 18
WC Engineering, Mechanical
SC Engineering
GA BE9IW
UT WOS:000377638900019
ER
PT B
AU Finney, CEA
Edwards, KD
Stoyanov, MK
Wagner, RM
AF Finney, Charles E. A.
Edwards, K. Dean
Stoyanov, Miroslav K.
Wagner, Robert M.
GP ASME
TI APPLICATION OF HIGH PERFORMANCE COMPUTING FOR STUDYING CYCLIC
VARIABILITY IN DILUTE INTERNAL COMBUSTION ENGINES
SO PROCEEDINGS OF THE ASME INTERNAL COMBUSTION ENGINE DIVISION FALL
TECHNICAL CONFERENCE, 2015, VOL 2
LA English
DT Proceedings Paper
CT ASME Internal Combustion Engine Division Fall Technical Conference
CY NOV 08-11, 2015
CL Houston, TX
SP ASME, Internal Combust Engine Div
ID PARTIAL-DIFFERENTIAL-EQUATIONS; STOCHASTIC COLLOCATION METHOD; RANDOM
INPUT DATA; DESIGN
AB Combustion instabilities in dilute internal combustion engines are manifest in cyclic variability (CV) in engine performance measures such as integrated heat release or shaft work. Understanding the factors leading to CV is important in model-based control, especially with high dilution where experimental studies have demonstrated that deterministic effects can become more prominent.
Observation of enough consecutive engine cycles for significant statistical analysis is standard in experimental studies but is largely wanting in numerical simulations because of the computational time required to compute hundreds or thousands of consecutive cycles. We have proposed and begun implementation of an alternative approach to allow rapid simulation of long series of engine dynamics based on a low dimensional mapping of ensembles of single-cycle simulations which map input parameters to output engine performance.
This paper details the use Titan at the Oak Ridge Leadership Computing Facility to investigate CV in a gasoline direct-injected spark-ignited engine with a moderately high rate of dilution achieved through external exhaust gas recirculation. The CONVERGE (TM) CFD software was used to perform single cycle simulations with imposed variations of operatirig parameters and boundary conditions selected according to a sparse grid sampling of the parameter space. Using an uncertainty quantification technique, the sampling scheme is chosen similar to a design of experiments grid, but uses algorithms designed to minimize the number of samples required to achieve a desired degree of accuracy. The simulations map input parameters to output metrics of engine performance for a single cycle, and by mapping over a large parameter space, results can be interpolated from within that space. This interpolation scheme forms the basis for a low dimensional 'metamodel' (or model of a model) which can be used to mimic the dynamical behavior of corresponding high dimensional simulations.
Simulations of high-EGR spark-ignition combustion cycles within a parametric sampling grid were performed and analyzed statistically, and sensitivities of the physical factors leading to high CV are presented. With these results, the prospect of producing low-dimensional metamodels to describe engine dynamics at any point in the parameter space will be discussed. Additionally, modifications to the methodology to account for nondeterministic effects in the numerical solution environment are proposed
C1 [Finney, Charles E. A.; Edwards, K. Dean; Stoyanov, Miroslav K.; Wagner, Robert M.] Oak Ridge Natl Lab, POB 2009, Oak Ridge, TN 37831 USA.
RP Finney, CEA (reprint author), Oak Ridge Natl Lab, POB 2009, Oak Ridge, TN 37831 USA.
NR 21
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5728-1
PY 2016
AR V002T06A021
PG 7
WC Engineering, Mechanical
SC Engineering
GA BE9IW
UT WOS:000377638900037
ER
PT B
AU Hakim, L
Lacaze, G
Khalil, M
Najm, HN
Oefelein, JC
AF Hakim, Layal
Lacaze, Guilhem
Khalil, Mohammad
Najm, Habib N.
Oefelein, Joseph C.
GP ASME
TI MODELING AUTO-IGNITION TRANSIENTS IN REACTING DIESEL JETS
SO PROCEEDINGS OF THE ASME INTERNAL COMBUSTION ENGINE DIVISION FALL
TECHNICAL CONFERENCE, 2015, VOL 2
LA English
DT Proceedings Paper
CT ASME Internal Combustion Engine Division Fall Technical Conference
CY NOV 08-11, 2015
CL Houston, TX
SP ASME, Internal Combust Engine Div
ID LARGE-EDDY SIMULATION; N-DODECANE; SELF-IGNITION; COMBUSTION; ENGINE;
MECHANISM; OXIDATION; LES; RAMJET; FLAMES
AB The objective of the present work is to establish a framework to design simple Arrhenius mechanisms for simulation of Diesel engine combustion. The goal is to predict auto-ignition and flame propagation over a selected range of temperature and equivalence ratio, at a significantly reduced computational cost, and to quantify the accuracy of the optimized mechanisms for a selected set of characteristics. The methodology is demonstrated for n-dodecane oxidation by fitting the auto-ignition delay time predicted by a detailed reference mechanism to a two-step model mechanism. The pre-exponential factor and activation energy of the first reaction are modeled as functions of equivalence ratio and temperature and calibrated using Bayesian inference. This provides both the optimal parameter values and the related uncertainties over a defined envelope of temperatures, pressures, and equivalence ratios. Non-intrusive spectral projection is then used to propagate the uncertainty through homogeneous auto ignitions. A benefit of the method is that parametric uncertainties can be propagated in the same way through coupled reacting flow calculations using techniques such as Large Eddy Simulation to quantify the impact of the chemical parameter uncertainty on simulation results.
C1 [Hakim, Layal; Lacaze, Guilhem; Khalil, Mohammad; Najm, Habib N.; Oefelein, Joseph C.] Sandia Natl Labs, Combust Res Facil, Livermore, CA USA.
RP Hakim, L (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA USA.
EM lhakim@sandia.gov
NR 37
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5728-1
PY 2016
AR V002T06A017
PG 11
WC Engineering, Mechanical
SC Engineering
GA BE9IW
UT WOS:000377638900033
ER
PT B
AU Hu, B
Banerjee, S
Liu, K
Rajamohan, D
Deur, JM
Xue, Q
Som, S
AF Hu, B.
Banerjee, S.
Liu, K.
Rajamohan, D.
Deur, J. M.
Xue, Q.
Som, S.
GP ASME
TI LARGE EDDY SIMULATION OF A TURBULENT NON-REACTING SPRAY JET
SO PROCEEDINGS OF THE ASME INTERNAL COMBUSTION ENGINE DIVISION FALL
TECHNICAL CONFERENCE, 2015, VOL 2
LA English
DT Proceedings Paper
CT ASME Internal Combustion Engine Division Fall Technical Conference
CY NOV 08-11, 2015
CL Houston, TX
SP ASME, Internal Combust Engine Div
ID ENGINES; FLOW
AB We performed Large Eddy Simulation (LES) of a turbulent non-reacting n-Heptane spray jet, referred to as Spray H in the Engine Combustion Network (ECN), and executed a data analysis focused on key LES metrics such as fraction of resolved turbulent kinetic energy and similarity index. In the simulation, we used the dynamic structure model for the sub grid stress, and the Lagrangian-based spray-parcel models coupled with the blob-injection model. The finest mesh-cell size used was characterized by an Adaptive Mesh Refinement (AMR) cell size of 0.0625 mm. To obtain ensemble statistics, we performed 28 numerical realizations of the simulation. Demonstrated by the comparison with experimental data in a previous study [7], this LES has accurately predicted global quantities, such as liquid and vapor penetrations. The analysis in this work shows that 14 realizations of LES are sufficient to provide a reasonable representation of the average flow behavior that is benchmarked against the 28-realization ensemble. With the current mesh, numerical schemes, and sub grid scale turbulence model, more than 95% of the turbulent kinetic energy is directly resolved in the flow regions of interest. The large-scale flow structures inferred from a statistical analysis reveal a region of disorganized flow around the peripheral region of the spray jet, which appears to be linked to the entrainment process.
C1 [Hu, B.; Banerjee, S.; Liu, K.; Rajamohan, D.; Deur, J. M.] Cummins Inc, Columbus, IN USA.
[Xue, Q.; Som, S.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Hu, B (reprint author), Cummins Inc, Columbus, IN USA.
NR 26
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5728-1
PY 2016
AR V002T06A007
PG 10
WC Engineering, Mechanical
SC Engineering
GA BE9IW
UT WOS:000377638900023
ER
PT B
AU Kodavasal, J
Harms, K
Srivastava, P
Som, S
Quan, SP
Richards, K
Garcia, M
AF Kodavasal, Janardhan
Harms, Kevin
Srivastava, Priyesh
Som, Sibendu
Quan, Shaoping
Richards, Keith
Garcia, Marta
GP ASME
TI DEVELOPMENT OF A STIFFNESS-BASED CHEMISTRY LOAD BALANCING SCHEME, AND
OPTIMIZATION OF I/O AND COMMUNICATION, TO ENABLE MASSIVELY PARALLEL
HIGH-FIDELITY INTERNAL COMBUSTION ENGINE SIMULATIONS
SO PROCEEDINGS OF THE ASME INTERNAL COMBUSTION ENGINE DIVISION FALL
TECHNICAL CONFERENCE, 2015, VOL 2
LA English
DT Proceedings Paper
CT ASME Internal Combustion Engine Division Fall Technical Conference
CY NOV 08-11, 2015
CL Houston, TX
SP ASME, Internal Combust Engine Div
ID COMPRESSION IGNITION COMBUSTION; MODEL; DURATION
AB A closed-cycle gasoline compression ignition engine simulation near top dead center (TDC) was used to profile the performance of a parallel commercial engine computational fluid dynamics code, as it was scaled on up to 4096 cores of an IBM Blue Gene/Q supercomputer. The test case has 9 million cells near TDC, with a fixed mesh size of 0.15 mm, and was run on configurations ranging from 128 to 4096 cores. Profiling was done for a small duration of 0.11 crank angle degrees near TDC during ignition. Optimization of input/output performance resulted in a significant speedup in reading restart files, and in an over 100-times speedup in writing restart files and files for post-processing. Improvements to communication resulted in a 1400-times speedup in the mesh load balancing operation during initialization, on 4096 cores. An improved, "stiffness-based" algorithm for load balancing chemical kinetics calculations was developed, which results in an over 3-times faster run-time near ignition on 4096 cores relative to the original load balancing scheme. With this improvement to load balancing, the code achieves over 78% scaling efficiency on 2048 cores, and over 65% scaling efficiency on 4096 cores, relative to 256 cores.
C1 [Kodavasal, Janardhan; Som, Sibendu] Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Harms, Kevin; Garcia, Marta] Argonne Natl Lab, Argonne Leadership Comp Facil, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Srivastava, Priyesh; Quan, Shaoping; Richards, Keith] Convergent Sci Inc, Madison, WI USA.
RP Kodavasal, J (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM jkodavasal@anl.gov
NR 37
TC 0
Z9 0
U1 1
U2 1
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5728-1
PY 2016
AR V002T06A009
PG 14
WC Engineering, Mechanical
SC Engineering
GA BE9IW
UT WOS:000377638900025
ER
PT B
AU Pei, YJ
Hu, B
Som, S
AF Pei, Yuanjiang
Hu, Bing
Som, Sibendu
GP ASME
TI LARGE EDDY SIMULATION OF AN N-DODECANE SPRAY FLAME UNDER DIFFERENT
AMBIENT OXYGEN CONDITIONS
SO PROCEEDINGS OF THE ASME INTERNAL COMBUSTION ENGINE DIVISION FALL
TECHNICAL CONFERENCE, 2015, VOL 2
LA English
DT Proceedings Paper
CT ASME Internal Combustion Engine Division Fall Technical Conference
CY NOV 08-11, 2015
CL Houston, TX
SP ASME, Internal Combust Engine Div
ID DIESEL-ENGINE CONDITIONS; TURBULENCE-CHEMISTRY INTERACTION;
COMPRESSION-IGNITION ENGINES; COMBUSTION CHARACTERISTICS; SOOT
FORMATION; MODEL
AB An n-dodecane spray flame was simulated using a dynamic structure large eddy simulation (LES) model coupled with a detailed chemistry combustion model to understand the ignition processes and the quasi-steady state flame structures. This study focuses on the effect of different ambient oxygen concentrations, 13%, 15% and 21% at an ambient temperature of 900 K and an ambient density of 22.8 kg/m(3), which are typical diesel-engine relevant conditions with different levels of exhaust gas recirculation (EGR). The liquid spray was treated with a traditional Lagrangian method. A 103-species skeletal mechanism was used for the n-dodecane chemical kinetic model. It is observed that the main ignitions occur in rich mixture and the flames are thickened around 35 to 40 mm off the spray axis due to the enhanced turbulence induced by the strong recirculation upstream, just behind the head of the flames at different oxygen concentrations. At 1 ms after the start of injection, the soot production is dominated by the broader region of high temperature in rich mixture instead of the stronger oxidation of the high peak temperature. Multiple realizations were performed for the 15% 02 condition to understand the realization to realization variation and to establish best practices for ensemble-averaging diesel spray flames. Two indexes are defined. The structure-similarity index analysis suggests at least 5 realizations are needed to obtain 99% similarity for mixture fraction if the average of 16 realizations are used as the target at 0.8 ms. However, this scenario may be different for different scalars of interest. It is found that 6 realizations would be enough to reach 99% of similarity for temperature, while 8 and 14 realizations are required to achieve 99% similarity for soot and OH mass fraction, respectively. Similar findings are noticed at 1 ms. More realizations are needed for the magnitude similarity index for the similar level of similarity as the structure similarity index.
C1 [Pei, Yuanjiang; Som, Sibendu] Argonne Natl Lab, Transportat Technol R&D Ctr, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Hu, Bing] Cummins Inc, Columbus, IN 47202 USA.
RP Pei, YJ (reprint author), Argonne Natl Lab, Transportat Technol R&D Ctr, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM ypei@anl.gov
NR 45
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5728-1
PY 2016
AR V002T06A008
PG 14
WC Engineering, Mechanical
SC Engineering
GA BE9IW
UT WOS:000377638900024
ER
PT B
AU Saha, K
Som, S
Battistoni, M
Li, YH
Quan, S
Senecal, PK
AF Saha, Kaushik
Som, Sibendu
Battistoni, Michele
Li, Yanheng
Quan, S.
Senecal, P. K.
GP ASME
TI MODELING OF INTERNAL AND NEAR-NOZZLE FLOW FOR A GDI FUEL INJECTOR
SO PROCEEDINGS OF THE ASME INTERNAL COMBUSTION ENGINE DIVISION FALL
TECHNICAL CONFERENCE, 2015, VOL 2
LA English
DT Proceedings Paper
CT ASME Internal Combustion Engine Division Fall Technical Conference
CY NOV 08-11, 2015
CL Houston, TX
SP ASME, Internal Combust Engine Div
ID RELAXATION MODEL; ATOMIZATION; SPRAYS
AB A numerical study of two-phase flow inside the nozzle holes and the issuing spray jets for a multi-hole direct injection gasoline injector has been presented in this work. The injector geometry is representative of the Spray G nozzle, an eight-hole counterbore injector, from the Engine Combustion Network (ECN). Simulations have been carried out for a fixed needle lift. Effects of turbulence, compressibility and non-condensable gases have been considered in this work. Standard k - epsilon turbulence model has been used to model the turbulence. Homogeneous Relaxation Model (HRM) coupled with Volume of Fluid (VOF) approach has been utilized to capture the phase change phenomena inside and outside the injector nozzle. Three different boundary conditions for the outlet domain have been imposed to examine non-flashing and evaporative, non flashing and non-evaporative and flashing conditions. Noticeable hole-to-hole variations have been observed in terms of mass flow rates for all the holes under all the operating conditions considered in this study. Inside the nozzle holes mild cavitation-like and in the near-nozzle region flash boiling phenomena have been predicted when liquid fuel is subjected to superheated ambiance. Under favorable conditions considerable flashing has been observed in the near-nozzle regions. An enormous volume is occupied by the gasoline vapor, formed by the flash boiling of superheated liquid fuel. Large outlet domain connecting the exits of the holes and the pressure outlet boundary appeared to be necessary leading to substantial computational cost. Volume-averaging instead of mass-averaging is observed to be more effective, especially for finer mesh resolutions.
C1 [Saha, Kaushik; Som, Sibendu] Argonne Natl Lab, Div Energy Syst, Lemont, IL USA.
[Battistoni, Michele] Univ Perugia, Dept Engn, I-06100 Perugia, Italy.
[Li, Yanheng; Quan, S.; Senecal, P. K.] Convergent Sci Inc, Madison, WI USA.
RP Saha, K (reprint author), Argonne Natl Lab, Div Energy Syst, Lemont, IL USA.
EM ksaha@anl.gov; ssom@anl.gov; michele.battistoni@unipg.it;
yanheng.li@convergecfd.com
NR 28
TC 0
Z9 0
U1 1
U2 3
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5728-1
PY 2016
AR V002T06A015
PG 13
WC Engineering, Mechanical
SC Engineering
GA BE9IW
UT WOS:000377638900031
ER
PT B
AU Salvi, AA
Hoard, J
Styles, D
Assanis, D
AF Salvi, Ashwin A.
Hoard, John
Styles, Dan
Assanis, Dennis
GP ASME
TI IN-SITU THERMOPHYSICAL PROPERTIES OF AN EVOLVING CARBON NANOPARTICLE
BASED DEPOSIT LAYER UTILIZING A NOVEL INFRARED AND OPTICAL METHODOLOGY
SO PROCEEDINGS OF THE ASME INTERNAL COMBUSTION ENGINE DIVISION FALL
TECHNICAL CONFERENCE, 2015, VOL 2
LA English
DT Proceedings Paper
CT ASME Internal Combustion Engine Division Fall Technical Conference
CY NOV 08-11, 2015
CL Houston, TX
SP ASME, Internal Combust Engine Div
ID FLOWS
AB The use of exhaust gas recirculation (EGR) in internal combustion engines has significant impacts on engine combustion and emissions. EGR can be used to reduce in cylinder NOx production, reduce fuel consumption, and enable advanced forms of combustion. To maximize the benefits of EGR, the exhaust gases are often cooled with liquid to gas heat exchangers. However, the build up of a fouling deposit layer from exhaust particulates and volatiles result in the decrease of heat exchanger efficiency, and increase the outlet temperature of the exhaust gases, and decrease the advantages of EGR.
This paper presents experimental data from a novel in-situ measurement technique in a visualization rig during the development of a 378 micron thick deposit layer. Measurements were performed every 6 hours for up to 24 hours. Results show a non-linear increase in deposit thickness with an increase in layer surface area as deposition continued. Deposit surface temperature and temperature difference across the thickness of the layer was shown to increase with deposit thickness while heat transfer decreased. The provided measurements combine to produce deposit thermal conductivity.
A thorough uncertainty analysis of the in-situ technique is presented and suggests higher measurement accuracy at thicker deposit layers and with larger temperature differences across the layer. The interface and Wall temperature measurements are identified as the strongest contributors to the measurement uncertainty. Due to instrument uncertainty, the influence of deposit thickness and temperature could not be determined. At an average deposit thickness of 378 microns and at a temperature of 100 degrees C, the deposit thermal conductivity was determined to be 0.044 +/- 0.0062 W/mK at a 90% confidence interval based on instrument accuracy.
C1 [Salvi, Ashwin A.] US DOE, ARPA E, Washington, DC USA.
[Hoard, John] Univ Michigan, Ann Arbor, MI 48109 USA.
[Styles, Dan] Ford Motor Co, Dearborn, MI 48121 USA.
[Assanis, Dennis] SUNY Stony Brook, Stony Brook, NY 11794 USA.
RP Salvi, AA (reprint author), US DOE, ARPA E, Washington, DC USA.
NR 32
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5728-1
PY 2016
AR V002T04A006
PG 9
WC Engineering, Mechanical
SC Engineering
GA BE9IW
UT WOS:000377638900006
ER
PT B
AU Sappok, A
Ragaller, P
Bromberg, L
Prikhodko, V
Storey, J
Parks, J
AF Sappok, Alexander
Ragaller, Paul
Bromberg, Leslie
Prikhodko, Vitaly
Storey, John
Parks, James, II
GP ASME
TI DIESEL PARTICULATE FILTER-RELATED FUEL EFFICIENCY IMPROVEMENTS USING
BIODIESEL BLENDS IN CONJUNCTION WITH ADVANCED AFTERTREATMENT SENSING AND
CONTROLS
SO PROCEEDINGS OF THE ASME INTERNAL COMBUSTION ENGINE DIVISION FALL
TECHNICAL CONFERENCE, 2015, VOL 2
LA English
DT Proceedings Paper
CT ASME Internal Combustion Engine Division Fall Technical Conference
CY NOV 08-11, 2015
CL Houston, TX
SP ASME, Internal Combust Engine Div
AB It is well known that biodiesel may reduce engine-out particulate matter (PM) emissions and result in PM which has more favorable oxidation characteristics relative to PM derived solely from petroleum diesel. This study investigated the use of neat biodiesel, as well as blends, with a light-duty diesel engine equipped with a catalyzed diesel particulate filter (DPF) and radio frequency particulate filter sensor. The results show a reduction in engine-out PM emissions with increasing biodiesel blend levels and a corresponding increase in the duration between DPF regenerations. In situ measurements of the PM oxidation rates on the DPF using the radio frequency sensor further indicated more rapid oxidation of the biodiesel-derived PM with lower light-off temperatures relative to the petroleum derived PM. The conclusions indicate considerable potential to extend DPF regeneration intervals and decrease regeneration duration when biodiesel blends are used in conjunction with advanced DPF sensing and control systems, thereby reducing the DPF-related fuel consumption.
C1 [Sappok, Alexander; Ragaller, Paul; Bromberg, Leslie] Filter Sensing Technol Inc, Malden, MA USA.
[Prikhodko, Vitaly; Storey, John; Parks, James, II] Oak Ridge Natl Lab, Knoxville, TN USA.
RP Sappok, A (reprint author), Filter Sensing Technol Inc, Malden, MA USA.
NR 20
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5728-1
PY 2016
AR V002T04A011-1
PG 10
WC Engineering, Mechanical
SC Engineering
GA BE9IW
UT WOS:000377638900011
ER
PT B
AU Scarcelli, R
Sevik, J
Wallner, T
Richards, K
Pomraning, E
Senecal, PK
AF Scarcelli, Riccardo
Sevik, James
Wallner, Thomas
Richards, Keith
Pomraning, Eric
Senecal, Peter K.
GP ASME
TI CAPTURING CYCLIC VARIABILITY IN EGR DILUTE SI COMBUSTION USING
MULTI-CYCLE RANS
SO PROCEEDINGS OF THE ASME INTERNAL COMBUSTION ENGINE DIVISION FALL
TECHNICAL CONFERENCE, 2015, VOL 2
LA English
DT Proceedings Paper
CT ASME Internal Combustion Engine Division Fall Technical Conference
CY NOV 08-11, 2015
CL Houston, TX
SP ASME, Internal Combust Engine Div
AB Dilute combustion is an effective approach to increase the thermal efficiency of spark-ignition (SI) internal combustion engines (ICEs). However, high dilution levels typically result in large cycle-to-cycle variations (CCV) and poor combustion stability, therefore limiting the efficiency improvement. In order to extend the dilution tolerance of SI engines, advanced ignition systems are the subject of extensive research.
When simulating the effect of the ignition characteristics on CCV, providing a numerical result matching the measured average in-cylinder pressure trace does not deliver useful information regarding combustion stability. Typically Large Eddy Simulations (LES) are performed to simulate cyclic engine variations, since Reynold-Averaged Navier-Stokes (RANS) modeling is expected to deliver an ensemble-averaged result.
In this paper it is shown that, when using RANS, the cyclic perturbations coming from different initial conditions at each cycle are not damped out even after many simulated cycles. As a result, multi-cycle RANS results feature cyclic variability. This allows evaluating the effect of advanced ignition sources on combustion stability but requires validation against the entire cycle-resolved experimental dataset.
A single-cylinder GDI research engine is simulated using RANS and the numerical results for 20 consecutive engine cycles are evaluated for several operating conditions, including stoichiometric as well as EGR dilute operation. The effect of the ignition characteristics on CCV is also evaluated. Results show not only that multi-cycle RANS simulations can capture cyclic variability and deliver similar trends as the experimental data, but more importantly that RANS might be an effective, lower cost alternative to LES for the evaluation of ignition strategies for combustion systems that operate close to the stability limit.
C1 [Scarcelli, Riccardo; Sevik, James; Wallner, Thomas] Argonne Natl Lab, Lemont, IL USA.
[Richards, Keith; Pomraning, Eric; Senecal, Peter K.] Convergent Sci Inc, Madison, WI USA.
RP Scarcelli, R (reprint author), Argonne Natl Lab, Lemont, IL USA.
NR 19
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5728-1
PY 2016
AR V002T06A010
PG 11
WC Engineering, Mechanical
SC Engineering
GA BE9IW
UT WOS:000377638900026
ER
PT B
AU Som, S
Wang, Z
Pei, Y
Senecal, PK
Pomraning, E
AF Som, S.
Wang, Z.
Pei, Y.
Senecal, P. K.
Pomraning, E.
GP ASME
TI LES OF VAPORIZING GASOLINE SPRAYS CONSIDERING MULTI-INJECTION AVERAGING
AND GRID-CONVERGENT MESH RESOLUTION
SO PROCEEDINGS OF THE ASME INTERNAL COMBUSTION ENGINE DIVISION FALL
TECHNICAL CONFERENCE, 2015, VOL 2
LA English
DT Proceedings Paper
CT ASME Internal Combustion Engine Division Fall Technical Conference
CY NOV 08-11, 2015
CL Houston, TX
SP ASME, Internal Combust Engine Div
ID LARGE-EDDY SIMULATION; COMBUSTION; ENGINES
AB A state-of-the-art spray modeling methodology, recently presented by Senecal et al. [1,2,3], is applied to Large Eddy Simulations (LES) of vaporizing gasoline sprays. Simulations of non-combusting Spray G (gasoline fuel) from the Engine Combustion Network are performed. Adaptive mesh refinement (AMR) with cell sizes from 0.09 mm to 0.5 mm are utilized to demonstrate grid convergence of the dynamic structure LES model for the gasoline sprays. Grid settings are recommended to optimize the accuracy/runtime tradeoff for LES-based spray simulations at different injection pressure conditions typically encountered in gasoline direct injection (GDI) applications. Twenty different realizations are simulated by changing the random number seed used in the spray sub-models. It is shown that for global quantities such as spray penetration, comparing a single LES simulation to experimental data is reasonable. Through a detailed analysis using the relevance index (RI) criteria, recommendations are made regarding the minimum number of LES realizations required for accurate prediction of the gasoline sprays.
C1 [Som, S.; Wang, Z.; Pei, Y.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Senecal, P. K.; Pomraning, E.] Convergent Sci Inc, Madison, WI USA.
RP Som, S (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
NR 31
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC MECHANICAL ENGINEERS
PI NEW YORK
PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA
BN 978-0-7918-5728-1
PY 2016
AR V002T06A002-1
PG 11
WC Engineering, Mechanical
SC Engineering
GA BE9IW
UT WOS:000377638900018
ER
PT J
AU Milam, SN
Stansberry, JA
Sonneborn, G
Thomas, C
AF Milam, Stefanie N.
Stansberry, John A.
Sonneborn, George
Thomas, Cristina
TI The James Webb Space Telescope's Plan for Operations and Instrument
Capabilities for Observations in the Solar System
SO PUBLICATIONS OF THE ASTRONOMICAL SOCIETY OF THE PACIFIC
LA English
DT Article
DE infrared: planetary systems; Kuiper belt: general; planets and
satellites: general; techniques: imaging spectroscopy; telescopes
AB The James Webb Space Telescope (JWST) is optimized for observations in the near-and mid-infrared and will provide essential observations for targets that cannot be conducted from the ground or other missions during its lifetime. The state-of-the-art science instruments, along with the telescope's moving target tracking, will enable the infrared study, with unprecedented detail, for nearly every object (Mars and beyond) in the Solar System. The goals of this special issue are to stimulate discussion and encourage participation in JWST planning among members of the planetary science community. Key science goals for various targets, observing capabilities for JWST, and highlights for the complementary nature with other missions/observatories are described in this paper.
C1 [Milam, Stefanie N.; Sonneborn, George; Thomas, Cristina] NASA, Goddard Space Flight Ctr, 8800 Greenbelt Rd, Greenbelt, MD 20771 USA.
[Stansberry, John A.] Space Telescope Sci Inst, 3700 San Martin Dr, Baltimore, MD 21218 USA.
[Thomas, Cristina] Oak Ridge Associated Univ, NASA, Postdoctoral Program, Oak Ridge, TN 37831 USA.
[Thomas, Cristina] Planetary Sci Inst, 1700 East Ft Lowell,Suite 106, Tucson, AZ 85719 USA.
RP Milam, SN (reprint author), NASA, Goddard Space Flight Ctr, 8800 Greenbelt Rd, Greenbelt, MD 20771 USA.
EM stefanie.n.milam@nasa.gov; jstans@stsci.edu;
george.sonneborn-1@nasa.gov; cristina.a.thomas@nasa.gov
NR 22
TC 2
Z9 2
U1 2
U2 2
PU UNIV CHICAGO PRESS
PI CHICAGO
PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA
SN 0004-6280
EI 1538-3873
J9 PUBL ASTRON SOC PAC
JI Publ. Astron. Soc. Pac.
PD JAN
PY 2016
VL 128
IS 959
AR 018001
DI 10.1088/1538-3873/128/959/018001
PG 7
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA DO1JL
UT WOS:000377534200002
ER
PT J
AU Rivkin, AS
Marchis, F
Stansberry, JA
Takir, D
Thomas, C
AF Rivkin, Andrew S.
Marchis, Franck
Stansberry, John A.
Takir, Driss
Thomas, Cristina
CA JWST Asteroids Focus Grp
TI Asteroids and the James Webb Space Telescope
SO PUBLICATIONS OF THE ASTRONOMICAL SOCIETY OF THE PACIFIC
LA English
DT Article
DE minor planets, asteroids: general
ID TROJAN ASTEROIDS; 2 PALLAS; 4 VESTA; BELT; IMAGES; ORIGIN; SHAPE
AB The James Webb Space Telescope (JWST) provides the opportunity for ground-breaking observations of asteroids. It covers wavelength regions that are unavailable from the ground and does so with unprecedented sensitivity. The main belt and Trojan asteroids are all observable at some point in the JWST lifetime. We present an overview of the capabilities for JWST and how they apply to the asteroids as well as some short science cases that take advantage of these capabilities.
C1 [Rivkin, Andrew S.] Johns Hopkins Univ, Appl Phys Lab, 11101 Johns Hopkins Rd, Laurel, MD 20723 USA.
[Marchis, Franck] SETI Inst, 189 Bernardo Ave, Mountain View, CA 94043 USA.
[Stansberry, John A.] Space Telescope Sci Inst, 3700 San Martin Dr, Baltimore, MD 21218 USA.
[Takir, Driss] US Geol Survey, Astrogeol Sci Ctr, 2255 N Gemini Dr, Flagstaff, AZ 86001 USA.
[Thomas, Cristina] NASA, Goddard Space Flight Ctr, 8800 Greenbelt Rd, Greenbelt, MD 20771 USA.
[Thomas, Cristina] Oak Ridge Associated Univ, NASA, Postdoctoral Program, POB 117,MS 36, Oak Ridge, TN 37831 USA.
[Thomas, Cristina] Planetary Sci Inst, 1700 East Ft Lowell,Suite 106, Tucson, AZ 85719 USA.
RP Rivkin, AS (reprint author), Johns Hopkins Univ, Appl Phys Lab, 11101 Johns Hopkins Rd, Laurel, MD 20723 USA.
EM andy.rivkin@jhuapl.edu; fmarchis@seti.org; jstans@stsci.edu;
dtakir@usgs.gov; cristina.a.thomas@nasa.gov
FU NASA Planetary Astronomy Grant [NNX14AJ39G]; NSF Planetary Astronomy
Award [1313144]
FX A.S.R. would like to acknowledge support from NASA Planetary Astronomy
Grant NNX14AJ39G and NSF Planetary Astronomy Award 1313144. The authors
would like to thank members of the JWST Project at NASA Goddard and
staff members at STScI for information and review of this manuscript.
NR 23
TC 3
Z9 3
U1 0
U2 7
PU UNIV CHICAGO PRESS
PI CHICAGO
PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA
SN 0004-6280
EI 1538-3873
J9 PUBL ASTRON SOC PAC
JI Publ. Astron. Soc. Pac.
PD JAN
PY 2016
VL 128
IS 959
AR 018003
DI 10.1088/1538-3873/128/959/018003
PG 6
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA DO1JL
UT WOS:000377534200004
ER
PT J
AU Thomas, CA
Abell, P
Castillo-Rogez, J
Moskovitz, N
Mueller, M
Reddy, V
Rivkin, A
Ryan, E
Stansberry, J
AF Thomas, Cristina A.
Abell, Paul
Castillo-Rogez, Julie
Moskovitz, Nicholas
Mueller, Michael
Reddy, Vishnu
Rivkin, Andrew
Ryan, Erin
Stansberry, John
TI Observing Near-Earth Objects with the James Webb Space Telescope
SO PUBLICATIONS OF THE ASTRONOMICAL SOCIETY OF THE PACIFIC
LA English
DT Article
DE minor planets, asteroids: general; telescopes
ID ASTEROIDS; ALBEDO
AB The James Webb Space Telescope (JWST) has the potential to enhance our understanding of near-Earth objects (NEOs). We present results of investigations into the observability of NEOs given the nominal observing requirements of JWST on elongation (85 degrees-135 degrees) and non-sidereal rates (<30 mas s(-1)). We find that approximately 75% of NEOs can be observed in a given year. However, observers will need to wait for appropriate observing windows. We find that JWST can easily execute photometric observations of meter-sized NEOs that will enhance our understanding of the small NEO population.
C1 [Thomas, Cristina A.; Ryan, Erin] NASA, Goddard Space Flight Ctr, 8800 Greenbelt Rd, Greenbelt, MD 20771 USA.
[Thomas, Cristina A.] Oak Ridge Associated Univ, NASA, Postdoctoral Program, Oak Ridge, TN 37381 USA.
[Thomas, Cristina A.; Reddy, Vishnu] Planetary Sci Inst, 1700 East Ft Lowell,Suite 106, Tucson, AZ 85719 USA.
[Abell, Paul] NASA, Lyndon B Johnson Space Ctr, 2101 NASA Pkwy, Houston, TX 77058 USA.
[Castillo-Rogez, Julie] Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91011 USA.
[Moskovitz, Nicholas] Lowell Observ, 1400 W Mars Hill Rd, Flagstaff, AZ 86011 USA.
[Mueller, Michael] Univ Groningen, Kapteyn Astron Inst, Postbus 800, NL-9700 AV Groningen, Netherlands.
[Mueller, Michael] SRON, Netherlands Inst Space Res, Astrophys Res Grp, Postbus 800, NL-9700 AV Groningen, Netherlands.
[Rivkin, Andrew] Johns Hopkins Univ, Appl Phys Lab, 11100 Johns Hopkins Rd, Laurel, MD 20723 USA.
[Ryan, Erin] Univ Maryland, Dept Astron, College Pk, MD 20742 USA.
[Stansberry, John] Space Telescope Sci Inst, 3700 San Martin Dr, Baltimore, MD 21218 USA.
RP Thomas, CA (reprint author), NASA, Goddard Space Flight Ctr, 8800 Greenbelt Rd, Greenbelt, MD 20771 USA.; Thomas, CA (reprint author), Oak Ridge Associated Univ, NASA, Postdoctoral Program, Oak Ridge, TN 37381 USA.; Thomas, CA (reprint author), Planetary Sci Inst, 1700 East Ft Lowell,Suite 106, Tucson, AZ 85719 USA.
EM cristina.a.thomas@nasa.gov
OI Mueller, Michael/0000-0003-3217-5385
FU NASA
FX C.A. Thomas was supported by an appointment to the NASA Postdoctoral
Program at Goddard Space Flight Center, administrated by Oak Ridge
Associated Universities through a contract with NASA. The authors would
like to thank the JWST project for their technical support and advice in
support of this manuscript.
NR 21
TC 3
Z9 3
U1 0
U2 0
PU UNIV CHICAGO PRESS
PI CHICAGO
PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA
SN 0004-6280
EI 1538-3873
J9 PUBL ASTRON SOC PAC
JI Publ. Astron. Soc. Pac.
PD JAN
PY 2016
VL 128
IS 959
AR 018002
DI 10.1088/1538-3873/128/959/018002
PG 6
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA DO1JL
UT WOS:000377534200003
ER
PT J
AU Yang, Y
Liao, JJ
Li, YF
Cao, XK
Li, N
Wang, CZ
Lin, SW
AF Yang, Yue
Liao, Jianjun
Li, Yanfang
Cao, Xiankun
Li, Na
Wang, Caizhuang
Lin, Shiwei
TI Electrochemically self-doped hierarchical TiO2 nanotube arrays for
enhanced visible-light photoelectrochemical performance: an experimental
and computational study
SO RSC ADVANCES
LA English
DT Article
ID WATER-SPLITTING PERFORMANCE; PHOTO-ASSISTED DEPOSITION; PHOTOCATALYTIC
ACTIVITY; OXYGEN VACANCY; 001 FACETS; TITANIUM; FABRICATION; FILMS;
TI3+; PHOTOANODES
AB A two-step electrochemical anodization method was used to prepare typical hierarchical top-ring/bottomtube TiO2 nanotube arrays (TNTAs). Ti3+ self-doping into TiO2 was achieved via electrochemical reduction at different negative potentials in the range from -1.0 V to -1.6 V. Compared with the pristine TNTAs, the TNTAs reduced at -1.4 V presented a dramatically enhanced photoelectrochemical performance, which showed a 2.4 times enhancement in photocurrent density under simulated AM 1.5G illumination and 2.3 times increase in visible-light photocurrent density. Approximately 100% improvement in photoelectrochemical catalytic efficiency was obtained in a phenol degradation experiment. First-principles calculations demonstrated that the new states induced by Ti3+ self-doping might act as a shallow donor level to promote the separation of photogenerated electron-hole pairs. Moreover, the light absorption improved by the hierarchical nanostructure and the excellent electron conductivity induced by Ti3+ doping also account for the enhancement in the photoelectrochemical performance. These results suggest a reasonable design of photoelectrodes for efficient photoelectrochemical applications in the future.
C1 [Yang, Yue; Liao, Jianjun; Li, Yanfang; Cao, Xiankun; Li, Na; Lin, Shiwei] Hainan Univ, Coll Mat & Chem Engn, Key Lab, Minist Educ Adv Mat Trop Isl Resources, Haikou 570228, Peoples R China.
[Wang, Caizhuang] Iowa State Univ, Dept Phys & Astron, US DOE, Ames Lab, Ames, IA 50011 USA.
RP Lin, SW (reprint author), Hainan Univ, Coll Mat & Chem Engn, Key Lab, Minist Educ Adv Mat Trop Isl Resources, Haikou 570228, Peoples R China.
EM linsw@hainu.edu.cn
FU National Natural Science Foundation of China [51462008]; National High
Technology Research and Development Program of China (863 Program)
[2015AA034103]; Hainan Natural Science Foundation [20156220]; Tianjin
University-Hainan University Collaborative Innovation Fund Project;
training program of outstanding dissertation for graduates in Hainan
University; innovation research project for graduates in universities of
Hainan Province
FX This study was financially supported by the National Natural Science
Foundation of China (51462008), the National High Technology Research
and Development Program of China (863 Program, Grant No. 2015AA034103),
the Hainan Natural Science Foundation (20156220), the Tianjin
University-Hainan University Collaborative Innovation Fund Project, the
training program of outstanding dissertation for graduates in Hainan
University, and the innovation research project for graduates in
universities of Hainan Province.
NR 54
TC 1
Z9 1
U1 7
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 2016
VL 6
IS 52
BP 46871
EP 46878
DI 10.1039/c6ra05805a
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA DN7KP
UT WOS:000377254800090
ER
PT J
AU Klinkova, A
Ahmed, A
Choueiri, RM
Guest, JR
Kumacheva, E
AF Klinkova, Anna
Ahmed, Aftab
Choueiri, Rachelle M.
Guest, Jeffery R.
Kumacheva, Eugenia
TI Toward rational design of palladium nanoparticles with plasmonically
enhanced catalytic performance
SO RSC ADVANCES
LA English
DT Article
ID VISIBLE-LIGHT; METAL NANOPARTICLES; NANOCRYSTALS; SHAPE; PHOTOCATALYSIS;
NANOSTRUCTURES; IRRADIATION; OXIDATION; NANOCUBES; CARRIERS
AB Palladium is a plasmonic metal, however plasmonically mediated enhancement of catalytic performance of Pd nanoparticles is under-explored. We report plasmonically mediated enhancement of catalytic performance of Pd-based nanoparticles with different shapes and internal structure. We found that Pd-only nanoparticles with geometry promoting plasmonic light concentration show stronger effect on light-induced catalytic performance than hybrid Pd-based nanoparticles with a 'canonic' plasmonic metal (Au) core. Our findings pave the way for the design, synthesis and fabrication of Pd nanocatalysts with enhanced performance under visible light illumination.
C1 [Klinkova, Anna; Choueiri, Rachelle M.; Kumacheva, Eugenia] Univ Toronto, Dept Chem, Toronto, ON M5S 3H6, Canada.
[Ahmed, Aftab; Guest, Jeffery R.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Klinkova, A; Kumacheva, E (reprint author), Univ Toronto, Dept Chem, Toronto, ON M5S 3H6, Canada.
EM aklinkov@chem.utoronto.ca; ekumache@chem.utoronto.ca
RI Guest, Jeffrey/B-2715-2009
OI Guest, Jeffrey/0000-0002-9756-8801
FU Connaught fund; Natural Sciences and Engineering Research Council of
Canada; U. S. Department of Energy, Office of Science, Office of Basic
Energy Sciences [DE-AC02-06CH11357]; Ontario Trillium Scholarship
FX A. K. thanks I. Gourevich and N. Coombs for help with SEM imaging and
EDX. A. K., R. M. C. and E. K. thank Connaught fund for financial
support of this work. A. K. acknowledges Ontario Trillium Scholarship,
R. M. C. acknowledges Natural Sciences and Engineering Research Council
of Canada for a PGS-D scholarship. J. R. G. thanks Yugang Sun for
helpful discussions. Use of the Center for Nanoscale Materials, an
Office of Science user facility, was supported by the U. S. Department
of Energy, Office of Science, Office of Basic Energy Sciences, under
Contract No. DE-AC02-06CH11357.
NR 31
TC 0
Z9 0
U1 6
U2 11
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 2016
VL 6
IS 53
BP 47907
EP 47911
DI 10.1039/c5ra25571f
PG 5
WC Chemistry, Multidisciplinary
SC Chemistry
GA DN7KE
UT WOS:000377253400083
ER
PT J
AU Aiken, AC
McMeeking, GR
Levin, EJT
Dubey, MK
DeMott, PJ
Kreidenweis, SM
AF Aiken, Allison C.
McMeeking, Gavin R.
Levin, Ezra J. T.
Dubey, Manvendra K.
DeMott, Paul J.
Kreidenweis, Sonia M.
TI Quantification of online removal of refractory black carbon using
laser-induced incandescence in the single particle soot photometer
SO AEROSOL SCIENCE AND TECHNOLOGY
LA English
DT Article
ID LIGHT-ABSORPTION; MIXING STATE; PHOTOACOUSTIC SPECTROMETER; INTEGRATING
NEPHELOMETER; CCN ACTIVATION; DIAMETER RANGE; AEROSOLS; CALIBRATION;
RECOMMENDATIONS; VAPORIZATION
AB Refractory black carbon (rBC) is an aerosol that has important impacts on climate and human health. rBC is often mixed with other species, making it difficult to isolate and quantify its important effects on physical and optical properties of ambient aerosol. To solve this measurement challenge, a new method to remove rBC was developed using laser-induced incandescence (LII) by Levin et al. in 2014. Application of the method with the Single Particle Soot Photometer (SP2) is used to determine the effects of rBC on ice nucleating particles (INP). Here, we quantify the efficacy of the method in the laboratory using the rBC surrogate Aquadag. Polydisperse and mobility-selected samples (100-500 nm diameter, 0.44-36.05 fg), are quantified by a second SP2. Removal rates are reported by mass and number. For the mobility-selected samples, the average percentages removed by mass and number of the original size are 88.9 +/- 18.6% and 87.3 +/- 21.9%, respectively. Removal of Aquadag is efficient for particles > 100 nm mass-equivalent diameter (d(me)), enabling application for microphysical studies. However, the removal of particles <= 100 nm d(me) is less efficient. Absorption and scattering measurements are reported to assess its use to isolate brown carbon (BrC) absorption. Scattering removal rates for the mobility-selected samples are >90% on average, yet absorption rates are 53% on average across all wavelengths. Therefore, application to isolate effects of microphysical properties determined by larger sizes is promising, but will be challenging for optical properties. The results reported also have implications for other instruments employing internal LII, e.g., the Soot Particle Aerosol Mass Spectrometer (SP-AMS).
C1 [Aiken, Allison C.; Dubey, Manvendra K.] Los Alamos Natl Lab, Earth Syst Observat, Earth & Environm Sci, Los Alamos, NM 87545 USA.
[McMeeking, Gavin R.; Levin, Ezra J. T.; DeMott, Paul J.; Kreidenweis, Sonia M.] Colorado State Univ, Dept Atmospher Sci, Ft Collins, CO 80523 USA.
[McMeeking, Gavin R.] Handix Sci, Boulder, CO USA.
RP Aiken, AC (reprint author), Los Alamos Natl Lab, Earth Syst Observat EES 14, Earth & Environm Sci, POB 1663,MS J535, Los Alamos, NM 87545 USA.
EM aikenac@lanl.gov
RI Levin, Ezra/F-5809-2010; Dubey, Manvendra/E-3949-2010; DeMott,
Paul/C-4389-2011; Aiken, Allison/B-9659-2009; Kreidenweis,
Sonia/E-5993-2011
OI Dubey, Manvendra/0000-0002-3492-790X; DeMott, Paul/0000-0002-3719-1889;
Aiken, Allison/0000-0001-5749-7626; Kreidenweis,
Sonia/0000-0002-2561-2914
FU LANL LDRD Director's Postdoctoral Fellowship; DOE ASR [F265]; NASA Earth
Science Division [NNX12AH17G]; DOE
FX This work was supported by LANL LDRD Director's Postdoctoral Fellowship
(Allison C. Aiken), DOE ASR grant F265 (Manvendra K. Dubey), and NASA
Earth Science Division award NNX12AH17G (Paul J. DeMott; CSU). Although
this work was funded by the DOE, it has not been subject to formal
review and thus no official endorsement should be inferred.
NR 56
TC 1
Z9 1
U1 7
U2 11
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0278-6826
EI 1521-7388
J9 AEROSOL SCI TECH
JI Aerosol Sci. Technol.
PY 2016
VL 50
IS 7
BP 679
EP 692
DI 10.1080/02786826.2016.1173647
PG 14
WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences;
Meteorology & Atmospheric Sciences
SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric
Sciences
GA DN6WC
UT WOS:000377216200004
ER
PT S
AU Ellis, JT
Miller, CD
AF Ellis, Joshua T.
Miller, Charles D.
BE Bux, F
Chisti, Y
TI Fuel Alcohols from Microalgae
SO ALGAE BIOTECHNOLOGY: PRODUCTS AND PROCESSES
SE Green Energy and Technology
LA English
DT Article; Book Chapter
DE Microalgae; Acetone; Fuel alcohols; Bioethanol; Biobutanol
ID BUTANOL-ETHANOL ABE; CLOSTRIDIUM-ACETOBUTYLICUM; ANAEROBIC FERMENTATION;
BIOETHANOL PRODUCTION; BIOFUELS PRODUCTION; GREEN-ALGA; BIOMASS;
ACETONE; ACCUMULATION; BIODIESEL
AB Biosolvents such as acetone, butanol and ethanol are attractive biofuels which can reduce our dependence on fossil energy. Butanol is of particular interest as it can directly replace gasoline and be distributed using the current fuel infrastructure. Fuel alcohols are produced by fermentation of sugars obtained from starch. Starch and sugar feedstock for producing alcohols are currently obtained from crop plants. Microalgae are primitive plants that can accumulate large quantities of starch under suitable conditions. Use of algae as a source of starch for producing fuels overcomes many of the limitations associated with the conventional sources of starch. This chapter is focused on production of fuel alcohols from microalgae via the starch route.
C1 [Ellis, Joshua T.] Pacific NW Natl Lab, Energy & Environm Directorate, 902 Battelle Blvd,MSIN K3-62,POB 999, Richland, WA 99352 USA.
[Miller, Charles D.] Utah State Univ, Dept Biol Engn, 4105 Old Main Hill, Logan, UT 84322 USA.
RP Miller, CD (reprint author), Utah State Univ, Dept Biol Engn, 4105 Old Main Hill, Logan, UT 84322 USA.
EM charles.miller@usu.edu
NR 61
TC 0
Z9 0
U1 3
U2 3
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 1865-3529
BN 978-3-319-12334-9; 978-3-319-12333-2
J9 GREEN ENERGY TECHNOL
PY 2016
BP 143
EP 154
DI 10.1007/978-3-319-12334-9_8
D2 10.1007/978-3-319-12334-9
PG 12
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA BE8KX
UT WOS:000376532800008
ER
PT S
AU Dubini, A
Gonzalez-Ballester, D
AF Dubini, Alexandra
Gonzalez-Ballester, David
BE Bux, F
Chisti, Y
TI Biohydrogen from Microalgae
SO ALGAE BIOTECHNOLOGY: PRODUCTS AND PROCESSES
SE Green Energy and Technology
LA English
DT Article; Book Chapter
DE Microalgae; Photohydrogen productivity; Chlamydomonas; Biophotolysis
ID DEPRIVED CHLAMYDOMONAS-REINHARDTII; PHOTOSYNTHETIC ELECTRON-TRANSPORT;
PYRUVATE FERREDOXIN OXIDOREDUCTASE; PHOTOBIOLOGICAL H-2 PRODUCTION;
HYDROGEN-PRODUCTION PROCESSES; SYSTEMS BIOLOGY APPROACH; GREEN-ALGA;
PHOTOSYSTEM-II; FERMENTATIVE METABOLISM; LIGHT-INTENSITY
AB This chapter provides an overview of the current state of knowledge of the mechanisms involved in biohydrogen production from microalgae. The known limitations linked to photohydrogen productivity are addressed. Particular attention is given to physiological and molecular strategies to sustain and improve hydrogen production. The impact of different nutrient stresses and the effect of carbon supply on hydrogen production are discussed. The genetic and metabolic engineering approaches for increasing hydrogen production are outlined.
C1 [Dubini, Alexandra] Natl Renewable Energy Lab, Biosci Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA.
[Gonzalez-Ballester, David] Univ Cordoba, Fac Ciencias, Dept Bioquim & Biol Mol, Campus Rabanales,Edif Severo Ochoa, Cordoba 14071, Spain.
RP Dubini, A (reprint author), Natl Renewable Energy Lab, Biosci Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM alexandradubini@gmail.com
NR 147
TC 0
Z9 0
U1 1
U2 1
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 1865-3529
BN 978-3-319-12334-9; 978-3-319-12333-2
J9 GREEN ENERGY TECHNOL
PY 2016
BP 165
EP 193
DI 10.1007/978-3-319-12334-9_10
D2 10.1007/978-3-319-12334-9
PG 29
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA BE8KX
UT WOS:000376532800010
ER
PT S
AU Kostko, O
Bandyopadhyay, B
Ahmed, M
AF Kostko, Oleg
Bandyopadhyay, Biswajit
Ahmed, Musahid
BE Johnson, MA
Martinez, TJ
TI Vacuum Ultraviolet Photoionization of Complex Chemical Systems
SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 67
SE Annual Review of Physical Chemistry
LA English
DT Review; Book Chapter
DE mass spectrometry; synchrotron; hydrogen bonds; combustion; proton
transfer; laser ablation; thermochemistry; electronic structure
ID CRIEGEE INTERMEDIATE CH2OO; LOW-TEMPERATURE OXIDATION; POTENTIAL-ENERGY
SURFACE; GAS-PHASE KINETICS; VUV PHOTOIONIZATION; MASS-SPECTROMETRY;
SYNCHROTRON-RADIATION; IONIZATION ENERGIES; WATER CLUSTERS; COMBUSTION
CHEMISTRY
AB Tunable vacuum ultraviolet (VUV) radiation coupled to mass spectrometry is applied to the study of complex chemical systems. The identification of novel reactive intermediates and radicals is revealed in flame, pulsed photolysis, and pyrolysis reactors, leading to the elucidation of spectroscopy, reaction mechanisms, and kinetics. Mass-resolved threshold photoelectron photoion coincidence measurements provide unprecedented access to vibrationally resolved spectra of free radicals present in high-temperature reactors. Photoionization measurements in water clusters, nucleic acid base dimers, and their complexes with water provide signatures of proton transfer in hydrogen-bonded and p-stacked systems. Experimental and theoretical methods to track ion-molecule reactions and fragmentation pathways in intermolecular and intramolecular hydrogen-bonded systems in sugars and alcohols are described. Photoionization of laser-ablated molecules, clusters, and their reaction products inform thermodynamics and spectroscopy that are relevant to astrochemistry and catalysis. New directions in coupling VUV radiation to interrogate complex chemical systems are discussed.
C1 [Kostko, Oleg; Bandyopadhyay, Biswajit; Ahmed, Musahid] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Ahmed, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
EM mahmed@lbl.gov
RI Ahmed, Musahid/A-8733-2009
NR 136
TC 0
Z9 0
U1 25
U2 53
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0066-426X
BN 978-0-8243-1067-7
J9 ANNU REV PHYS CHEM
JI Annu. Rev. Phys. Chem.
PY 2016
VL 67
BP 19
EP 40
DI 10.1146/annurev-physchem-040215-112553
PG 22
WC Chemistry, Physical
SC Chemistry
GA BE8UL
UT WOS:000377036600002
PM 26980311
ER
PT S
AU Ramasesha, K
Leone, SR
Neumark, DM
AF Ramasesha, Krupa
Leone, Stephen R.
Neumark, Daniel M.
BE Johnson, MA
Martinez, TJ
TI Real-Time Probing of Electron Dynamics Using Attosecond Time-Resolved
Spectroscopy
SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 67
SE Annual Review of Physical Chemistry
LA English
DT Review; Book Chapter
DE ultrafast spectroscopy; electron dynamics; high harmonic generation;
transient absorption; photoelectron spectroscopy
ID ULTRAFAST CHARGE MIGRATION; HIGH-HARMONIC-GENERATION; SITE-SELECTIVE
REACTIVITY; WAVE-PACKET; TRANSIENT ABSORPTION; VALENCE IONIZATION;
NONLINEAR OPTICS; PEPTIDE CATIONS; GAS-PHASE; PULSES
AB Attosecond science has paved the way for direct probing of electron dynamics in gases and solids. This review provides an overview of recent attosecond measurements, focusing on the wealth of knowledge obtained by the application of isolated attosecond pulses in studying dynamics in gases and solid-state systems. Attosecond photoelectron and photoion measurements in atoms reveal strong-field tunneling ionization and a delay in the photoemission from different electronic states. These measurements applied to molecules have shed light on ultrafast intramolecular charge migration. Similar approaches are used to understand photoemission processes from core and delocalized electronic states in metal surfaces. Attosecond transient absorption spectroscopy is used to follow the real-time motion of valence electrons and to measure the lifetimes of autoionizing channels in atoms. In solids, it provides the first measurements of bulk electron dynamics, revealing important phenomena such as the timescales governing the switching from an insulator to a metallic state and carrier-carrier interactions.
C1 [Ramasesha, Krupa; Leone, Stephen R.; Neumark, Daniel M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Ramasesha, Krupa] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA.
[Leone, Stephen R.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Leone, Stephen R.; Neumark, Daniel M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Neumark, DM (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Neumark, DM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
EM dneumark@berkeley.edu
RI Neumark, Daniel/B-9551-2009
OI Neumark, Daniel/0000-0002-3762-9473
NR 142
TC 8
Z9 8
U1 28
U2 55
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0066-426X
BN 978-0-8243-1067-7
J9 ANNU REV PHYS CHEM
JI Annu. Rev. Phys. Chem.
PY 2016
VL 67
BP 41
EP 63
DI 10.1146/annurev-physchem-040215-112025
PG 23
WC Chemistry, Physical
SC Chemistry
GA BE8UL
UT WOS:000377036600003
PM 26980312
ER
PT S
AU Kronik, L
Neaton, JB
AF Kronik, Leeor
Neaton, Jeffrey B.
BE Johnson, MA
Martinez, TJ
TI Excited-State Properties of Molecular Solids from First Principles
SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 67
SE Annual Review of Physical Chemistry
LA English
DT Review; Book Chapter
DE molecular solids; excited states; many-body perturbation theory; density
functional theory
ID DENSITY-FUNCTIONAL THEORY; ELECTRON-HOLE EXCITATIONS; QUASI-PARTICLE
ENERGIES; SHAM ORBITAL ENERGIES; AB-INITIO CALCULATION; SPACE-TIME
METHOD; OPTICAL-SPECTRA; ORGANIC-SOLIDS; DERIVATIVE DISCONTINUITIES;
CONFIGURATION-INTERACTION
AB Molecular solids have attracted attention recently in the context of organic (opto)electronics. These materials exhibit unique charge carrier generation and transport phenomena that are distinct from those of conventional semiconductors. Understanding these phenomena is fundamental to optoelectronics and requires a detailed description of the excited-state properties of molecular solids. Recent advances in many-body perturbation theory (MBPT) and density functional theory (DFT) have made such description possible and have revealed many surprising electronic and optical properties of molecular crystals. Here, we review this progress. We summarize the salient aspects of MBPT and DFT as well as various properties that can be described by these methods. These properties include the fundamental gap and its renormalization, hybridization and band dispersion, singlet and triplet excitations, optical spectra, and excitonic properties. For each, we present concrete examples, a comparison to experiments, and a critical discussion.
C1 [Kronik, Leeor] Weizmann Inst Sci, Dept Mat & Interfaces, IL-76100 Rehovot, Israel.
[Neaton, Jeffrey B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Neaton, Jeffrey B.] Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
RP Kronik, L (reprint author), Weizmann Inst Sci, Dept Mat & Interfaces, IL-76100 Rehovot, Israel.
EM leeor.kronik@weizmann.ac.il; jbneaton@berkeley.edu
NR 158
TC 4
Z9 4
U1 19
U2 37
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0066-426X
BN 978-0-8243-1067-7
J9 ANNU REV PHYS CHEM
JI Annu. Rev. Phys. Chem.
PY 2016
VL 67
BP 587
EP 616
DI 10.1146/annurev-physchem-040214-121351
PG 30
WC Chemistry, Physical
SC Chemistry
GA BE8UL
UT WOS:000377036600025
PM 27090844
ER
PT S
AU Liao, HG
Zheng, HM
AF Liao, Hong-Gang
Zheng, Haimei
BE Johnson, MA
Martinez, TJ
TI Liquid Cell Transmission Electron Microscopy
SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 67
SE Annual Review of Physical Chemistry
LA English
DT Review; Book Chapter
DE liquid cell TEM; environmental TEM; materials transformation;
solid-liquid interfaces; biological imaging; electron beam effects
ID IN-SITU OBSERVATION; BEAM-INDUCED DEPOSITION; X-RAY-SCATTERING; GOLD
NANOPARTICLES; WET-CELL; NANOCRYSTAL GROWTH; ELECTROCHEMICAL LITHIATION;
MORPHOLOGICAL EVOLUTION; BISMUTH NANOPARTICLES; METAL NANOPARTICLES
AB Liquid cell transmission electron microscopy (TEM) has attracted significant interest in recent years. With nanofabricated liquid cells, it has been possible to image through liquids using TEM with subnanometer resolution, and many previously unseen materials dynamics have been revealed. Liquid cell TEM has been applied to many areas of research, ranging from chemistry to physics, materials science, and biology. So far, topics of study include nanoparticle growth and assembly, electrochemical deposition and lithiation for batteries, tracking and manipulation of nanoparticles, catalysis, and imaging of biological materials. In this article, we first review the development of liquid cell TEM and then highlight progress in various areas of research. In the study of nanoparticle growth, the electron beam can serve both as the illumination source for imaging and as the input energy for reactions. However, many other research topics require the control of electron beam effects to minimize electron beam damage. We discuss efforts to understand electron beam-liquid matter interactions. Finally, we provide a perspective on future challenges and opportunities in liquid cell TEM.
C1 [Liao, Hong-Gang; Zheng, Haimei] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Zheng, Haimei] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
RP Liao, HG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
EM hmzheng@lbl.gov
NR 150
TC 0
Z9 0
U1 46
U2 83
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0066-426X
BN 978-0-8243-1067-7
J9 ANNU REV PHYS CHEM
JI Annu. Rev. Phys. Chem.
PY 2016
VL 67
BP 719
EP +
DI 10.1146/annurev-physchem-040215-112501
PG 32
WC Chemistry, Physical
SC Chemistry
GA BE8UL
UT WOS:000377036600030
PM 27215823
ER
PT J
AU Martin, ST
Artaxo, P
Machado, LAT
Manzi, AO
Souza, RAF
Schumacher, C
Wang, J
Andreae, MO
Barbosa, HMJ
Fan, J
Fisch, G
Goldstein, AH
Guenther, A
Jimenez, JL
Poschl, U
Dias, MAS
Smith, JN
Wendisch, M
AF Martin, S. T.
Artaxo, P.
Machado, L. A. T.
Manzi, A. O.
Souza, R. A. F.
Schumacher, C.
Wang, J.
Andreae, M. O.
Barbosa, H. M. J.
Fan, J.
Fisch, G.
Goldstein, A. H.
Guenther, A.
Jimenez, J. L.
Poeschl, U.
Dias, M. A. Silva
Smith, J. N.
Wendisch, M.
TI Introduction: Observations and Modeling of the Green Ocean Amazon
(GoAmazon2014/5)
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID MANAUS CITY; AEROSOL; PRECIPITATION; CLOUDS; SENSITIVITY; BASIN; RAIN;
INTENSIFICATION; ACTIVATION; DISPERSION
AB The Observations and Modeling of the Green Ocean Amazon (GoAmazon2014/5) Experiment was carried out in the environs of Manaus, Brazil, in the central region of the Amazon basin for 2 years from 1 January 2014 through 31 December 2015. The experiment focused on the complex interactions among vegetation, atmospheric chemistry, and aerosol production on the one hand and their connections to aerosols, clouds, and precipitation on the other. The objective was to understand and quantify these linked processes, first under natural conditions to obtain a baseline and second when altered by the effects of human activities. To this end, the pollution plume from the Manaus metropolis, superimposed on the background conditions of the central Amazon basin, served as a natural laboratory. The present paper, as the introduction to the special issue of GoAmazon2014/5, presents the context and motivation of the GoAmazon2014/5 Experiment. The nine research sites, including the characteristics and instrumentation of each site, are presented. The sites range from time point zero (T0) upwind of the pollution, to T1 in the midst of the pollution, to T2 just downwind of the pollution, to T3 furthest downwind of the pollution (70aEuro-km). In addition to the ground sites, a low-altitude G-159 Gulfstream I (G-1) observed the atmospheric boundary layer and low clouds, and a high-altitude Gulfstream G550 (HALO) operated in the free troposphere. During the 2-year experiment, two Intensive Operating Periods (IOP1 and IOP2) also took place that included additional specialized research instrumentation at the ground sites as well as flights of the two aircraft. GoAmazon2014/5 IOP1 was carried out from 1 February to 31 March 2014 in the wet season. GoAmazon2014/5 IOP2 was conducted from 15 August to 15 October 2014 in the dry season. The G-1 aircraft flew during both IOP1 and IOP2, and the HALO aircraft flew during IOP2. In the context of the Amazon basin, the two IOPs also correspond to the clean and biomass burning seasons, respectively. The Manaus plume is present year-round, and it is transported by prevailing northeasterly and easterly winds in the wet and dry seasons, respectively. This introduction also organizes information relevant to many papers in the special issue. Information is provided on the vehicle fleet, power plants, and industrial activities of Manaus. The mesoscale and synoptic meteorologies relevant to the two IOPs are presented. Regional and long-range transport of emissions during the two IOPs is discussed based on satellite observations across South America and Africa. Fire locations throughout the airshed are detailed. In conjunction with the context and motivation of GoAmazon2014/5 as presented in this introduction, research articles including thematic overview articles are anticipated in this special issue to describe the detailed results and findings of the GoAmazon2014/5 Experiment.
C1 [Martin, S. T.] Harvard Univ, Cambridge, MA 02138 USA.
[Artaxo, P.; Barbosa, H. M. J.; Dias, M. A. Silva] Univ Sao Paulo, Sao Paulo, Brazil.
[Machado, L. A. T.] Natl Inst Space Res, Sao Jose Dos Campos, Brazil.
[Manzi, A. O.] Natl Inst Amazonian Res, Manaus, Amazonas, Brazil.
[Souza, R. A. F.] Amazonas State Univ, Manaus, Amazonas, Brazil.
[Schumacher, C.] Texas A&M Univ, College Stn, TX USA.
[Wang, J.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Andreae, M. O.; Poeschl, U.] Max Planck Inst Chem, Dept Biogeochem, Mainz, Germany.
[Andreae, M. O.; Poeschl, U.] Max Planck Inst Chem, Dept Multiphase Chem, Mainz, Germany.
[Fan, J.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Fisch, G.] Aeronaut & Space Inst, Sao Jose Dos Campos, Brazil.
[Goldstein, A. H.] Univ Calif Berkeley, Berkeley, CA 94720 USA.
[Guenther, A.; Smith, J. N.] Univ Calif Irvine, Irvine, CA USA.
[Jimenez, J. L.] Univ Colorado, Boulder, CO 80309 USA.
[Wendisch, M.] Univ Leipzig, D-04109 Leipzig, Germany.
RP Martin, ST (reprint author), Harvard Univ, Cambridge, MA 02138 USA.
EM scot_martin@harvard.edu
RI Martin, Scot/G-1094-2015; Poschl, Ulrich/A-6263-2010; Schumacher,
Courtney/B-8968-2011; Fan, Jiwen/E-9138-2011; Artaxo, Paulo/E-8874-2010;
Smith, James/C-5614-2008; Barbosa, Henrique/F-3499-2012; Jimenez,
Jose/A-5294-2008; Wendisch, Manfred/E-4175-2013; Wang, Jian/G-9344-2011;
Andreae, Meinrat/B-1068-2008
OI Martin, Scot/0000-0002-8996-7554; Poschl, Ulrich/0000-0003-1412-3557;
Schumacher, Courtney/0000-0003-3612-485X; Artaxo,
Paulo/0000-0001-7754-3036; Smith, James/0000-0003-4677-8224; Barbosa,
Henrique/0000-0002-4027-1855; Jimenez, Jose/0000-0001-6203-1847;
Wendisch, Manfred/0000-0002-4652-5561; Andreae,
Meinrat/0000-0003-1968-7925
FU Office of Biological and Environmental Research; Atmospheric System
Research (ASR) program of that office; United States Department of
Energy (DOE); Amazonas State Research Foundation (FAPEAM); Sao Paulo
State Research Foundation (FAPESP); Brazil Scientific Mobility Program
(CsF/CAPES); United States National Science Foundation (NSF); German Max
Planck Society (MPG); German Research Foundation (DFG); German Aerospace
Center (DLR)
FX Institutional support was provided by the Central Office of the Large
Scale Biosphere Atmosphere Experiment in Amazonia (LBA), the National
Institute of Amazonian Research (INPA), the National Institute for Space
Research (INPE), Amazonas State University (UEA), and the Brazilian
Space Agency (AEB). We acknowledge the Atmospheric Radiation Measurement
(ARM) Climate Research Facility, a user facility of the United States
Department of Energy, Office of Science, sponsored by the Office of
Biological and Environmental Research, and support from the Atmospheric
System Research (ASR) program of that office. Funding was obtained from
the United States Department of Energy (DOE), the Amazonas State
Research Foundation (FAPEAM), the Sao Paulo State Research Foundation
(FAPESP), the Brazil Scientific Mobility Program (CsF/CAPES), the United
States National Science Foundation (NSF), the German Max Planck Society
(MPG), the German Research Foundation (DFG), and the German Aerospace
Center (DLR). HALO flew as part of the coordinated ACRIDICON-CHUVA
Experiment. The research was conducted under scientific licenses
001030/2012-4, 001262/2012-2, and 00254/2013-9 of the Brazilian National
Council for Scientific and Technological Development (CNPq). A. Aiken,
J. Brito, J. Fuentes, K. Jardine, J. Mather, A. Medeiros, R. A. J.
Oliveira, C. Pohlker, B. Portela, S. de Sa, B. Schmid, and S. Springston
are acknowledged for assistance in the preparation of figures and
tables.
NR 52
TC 19
Z9 19
U1 10
U2 22
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 2016
VL 16
IS 8
BP 4785
EP 4797
DI 10.5194/acp-16-4785-2016
PG 13
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA DN3BK
UT WOS:000376937000003
ER
PT J
AU Zhao, B
Liou, KN
Gu, Y
He, CL
Lee, WL
Chang, X
Li, QB
Wang, SX
Tseng, HLR
Leung, LYR
Hao, JM
AF Zhao, Bin
Liou, Kuo-Nan
Gu, Yu
He, Cenlin
Lee, Wee-Liang
Chang, Xing
Li, Qinbin
Wang, Shuxiao
Tseng, Hsien-Liang R.
Leung, Lai-Yung R.
Hao, Jiming
TI Impact of buildings on surface solar radiation over urban Beijing
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID GENERAL-CIRCULATION MODEL; SIERRA-NEVADA; CANOPY MODEL; MESOSCALE
MODELS; ROCKY-MOUNTAINS; PARAMETERIZATION; SIMULATION; CHINA;
PERFORMANCE; MULTILAYER
AB The rugged surface of an urban area due to varying buildings can interact with solar beams and affect both the magnitude and spatiotemporal distribution of surface solar fluxes. Here we systematically examine the impact of buildings on downward surface solar fluxes over urban Beijing by using a 3-D radiation parameterization that accounts for 3-D building structures vs. the conventional plane-parallel scheme. We find that the resulting downward surface solar flux deviations between the 3-D and the plane-parallel schemes are generally +/- 1-10aEuro-WaEuro-m(-2) at 800aEuro-m grid resolution and within +/- 1aEuro-WaEuro-m(-2) at 4aEuro-km resolution. Pairs of positive-negative flux deviations on different sides of buildings are resolved at 800aEuro-m resolution, while they offset each other at 4aEuro-km resolution. Flux deviations from the unobstructed horizontal surface at 4aEuro-km resolution are positive around noon but negative in the early morning and late afternoon. The corresponding deviations at 800aEuro-m resolution, in contrast, show diurnal variations that are strongly dependent on the location of the grids relative to the buildings. Both the magnitude and spatiotemporal variations of flux deviations are largely dominated by the direct flux. Furthermore, we find that flux deviations can potentially be an order of magnitude larger by using a finer grid resolution. Atmospheric aerosols can reduce the magnitude of downward surface solar flux deviations by 10-65aEuro-%, while the surface albedo generally has a rather moderate impact on flux deviations. The results imply that the effect of buildings on downward surface solar fluxes may not be critically significant in mesoscale atmospheric models with a grid resolution of 4aEuro-km or coarser. However, the effect can play a crucial role in meso-urban atmospheric models as well as microscale urban dispersion models with resolutions of 1aEuro-m to 1aEuro-km.
C1 [Zhao, Bin; Liou, Kuo-Nan; Gu, Yu; He, Cenlin; Li, Qinbin; Tseng, Hsien-Liang R.] Univ Calif Los Angeles, Joint Inst Reg Earth Syst Sci & Engn, Los Angeles, CA 90095 USA.
[Zhao, Bin; Liou, Kuo-Nan; Gu, Yu; He, Cenlin; Li, Qinbin; Tseng, Hsien-Liang R.] Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Los Angeles, CA 90095 USA.
[Lee, Wee-Liang] Acad Sinica, Res Ctr Environm Changes, Taipei 115, Taiwan.
[Chang, Xing; Wang, Shuxiao; Hao, Jiming] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China.
[Wang, Shuxiao; Hao, Jiming] State Environm Protect Key Lab Sources & Control, Beijing 100084, Peoples R China.
[Leung, Lai-Yung R.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Zhao, B (reprint author), Univ Calif Los Angeles, Joint Inst Reg Earth Syst Sci & Engn, Los Angeles, CA 90095 USA.; Zhao, B (reprint author), Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Los Angeles, CA 90095 USA.
EM zhaob1206@gmail.com
RI wang, shuxiao/H-5990-2011
OI wang, shuxiao/0000-0001-9727-1963
FU NSF [AGS-0946315, AGS-1523296]; Department of Energy Office of Science
Biological and Environmental Research through the Regional and Global
Climate Modeling program; Battelle Memorial Institute
[DE-AC05-76RL01830]
FX This research was supported by the NSF under grant AGS-0946315 and
AGS-1523296. LRL was supported by Department of Energy Office of Science
Biological and Environmental Research through the Regional and Global
Climate Modeling program. PNNL is operated for DOE by Battelle Memorial
Institute under contract DE-AC05-76RL01830.
NR 36
TC 0
Z9 0
U1 1
U2 2
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 2016
VL 16
IS 9
BP 5841
EP 5852
DI 10.5194/acp-16-5841-2016
PG 12
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA DN3BU
UT WOS:000376938100021
ER
PT J
AU Zhang, JJ
Zhou, N
Hinge, A
Feng, W
Zhang, SC
AF Zhang, Jingjing
Zhou, Nan
Hinge, Adam
Feng, Wei
Zhang, Shicong
TI Governance strategies to achieve zero-energy buildings in China
SO BUILDING RESEARCH AND INFORMATION
LA English
DT Article
DE building performance; building regulations; energy codes; energy policy;
governance; net-zero; outcomes; policy; regulatory systems; zero-energy
buildings; China
ID IMPLEMENTATION
AB In response to climate change, governments are developing policies to move toward ultra-low-energy or zero-energy' buildings (ZEBs). Policies, codes, and governance structures vary among regions, and there is no universally accepted definition of a ZEB. These variables make it difficult, for countries such as China that wish to set similar goals, to determine an optimum approach. This paper reviews ZEBs policies, programmes, and governance approaches in two jurisdictions that are leading ZEBs development: Denmark and the state of California in the United States. Different modes of governance (hierarchy: principal-agent relations, market: self organizing and network: independent actors) are examined specifically in relation to policy instruments (prescriptive, performance or outcome-based). The analysis highlights differences in institutional conditions and examines available data on energy performance resulting from a building policy framework. The purpose is to identify ZEBs governance and implementation deficits in China and analyse alternative governance approaches that could be employed in China, which is currently developing ZEBs targets and policies. Conclusions suggest that the ZEBs governance structure in China could benefit from widened participation by all societal actors involved in achieving ZEBs targets. China's ZEBs policies would benefit from employing a more balanced hybrid governance approach.
C1 [Zhang, Jingjing] Lund Univ, Environm & Energy Syst Studies, POB 118, SE-22100 Lund, Sweden.
[Zhou, Nan; Feng, Wei] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, China Energy Grp, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Hinge, Adam] Sustainable Energy Partnerships, 12 Hanford Pl, Tarrytown, NY 10591 USA.
[Zhang, Shicong] China Acad Bldg Res, Inst Bldg Environm & Energy, 30 Bei San Huan Dong Lu, Beijing 100013, Peoples R China.
RP Zhang, JJ (reprint author), Lund Univ, Environm & Energy Syst Studies, POB 118, SE-22100 Lund, Sweden.; Zhou, N; Feng, W (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, China Energy Grp, 1 Cyclotron Rd, Berkeley, CA 94720 USA.; Hinge, A (reprint author), Sustainable Energy Partnerships, 12 Hanford Pl, Tarrytown, NY 10591 USA.; Zhang, SC (reprint author), China Acad Bldg Res, Inst Bldg Environm & Energy, 30 Bei San Huan Dong Lu, Beijing 100013, Peoples R China.
EM jingjing.zhang@miljo.lth.se; NZhou@lbl.gov; hingea@aol.com;
WeiFeng@lbl.gov; zhangshicong01@126.com
FU US Department of Energy [DE-AC02-05CH11231]; Department of Environmental
and Energy Systems Studies at Lund University; Swedish Royal
Physiographic Society; Energy Foundation; China Academy of Building
Research Program (P. R. China)
FX This work was supported by the US Department of Energy [contract number
DE-AC02-05CH11231]; by faculty funding from the Department of
Environmental and Energy Systems Studies at Lund University; by a
research exchange scholarship from the Swedish Royal Physiographic
Society; by the Energy Foundation; and by the China Academy of Building
Research Program (P. R. China).
NR 77
TC 0
Z9 0
U1 5
U2 7
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 0961-3218
EI 1466-4321
J9 BUILD RES INF
JI Build. Res. Informat.
PY 2016
VL 44
IS 5-6
SI SI
BP 604
EP 618
DI 10.1080/09613218.2016.1157345
PG 15
WC Construction & Building Technology
SC Construction & Building Technology
GA DN4OM
UT WOS:000377047100015
ER
PT J
AU Cai, X
Yang, ZL
Fisher, JB
Zhang, X
Barlage, M
Chen, F
AF Cai, X.
Yang, Z. -L.
Fisher, J. B.
Zhang, X.
Barlage, M.
Chen, F.
TI Integration of nitrogen dynamics into the Noah-MP land surface model
v1.1 for climate and environmental predictions
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID MISSISSIPPI RIVER; CARBON FLUXES; UNITED-STATES; RESOLUTION; BIOSPHERE;
EXCHANGE; IMPACTS; BALANCE; EXPORT; CYCLE
AB Climate and terrestrial biosphere models consider nitrogen an important factor in limiting plant carbon uptake, while operational environmental models view nitrogen as the leading pollutant causing eutrophication in water bodies. The community Noah land surface model with multi-parameterization options (Noah-MP) is unique in that it is the next-generation land surface model for the Weather Research and Forecasting meteorological model and for the operational weather/climate models in the National Centers for Environmental Prediction. In this study, we add a capability to Noah-MP to simulate nitrogen dynamics by coupling the Fixation and Uptake of Nitrogen (FUN) plant model and the Soil and Water Assessment Tool (SWAT) soil nitrogen dynamics. This model development incorporates FUN's state-of-the-art concept of carbon cost theory and SWAT's strength in representing the impacts of agricultural management on the nitrogen cycle. Parameterizations for direct root and mycorrhizal-associated nitrogen uptake, leaf retranslocation, and symbiotic biological nitrogen fixation are employed from FUN, while parameterizations for nitrogen mineralization, nitrification, immobilization, volatilization, atmospheric deposition, and leaching are based on SWAT. The coupled model is then evaluated at the Kellogg Biological Station - a Long Term Ecological Research site within the US Corn Belt. Results show that the model performs well in capturing the major nitrogen state/flux variables (e.g., soil nitrate and nitrate leaching). Furthermore, the addition of nitrogen dynamics improves the modeling of net primary productivity and evapotranspiration. The model improvement is expected to advance the capability of Noah-MP to simultaneously predict weather and water quality in fully coupled Earth system models.
C1 [Cai, X.; Yang, Z. -L.] Univ Texas Austin, Dept Geol Sci, John A & Katherine G Jackson Sch Geosci, Austin, TX USA.
[Fisher, J. B.] CALTECH, Jet Prop Lab, Pasadena, CA USA.
[Fisher, J. B.] Univ Calif Los Angeles, Joint Inst Reg Earth Syst Sci & Engn JIFRESSE, Los Angeles, CA USA.
[Zhang, X.] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD USA.
[Zhang, X.] Univ Maryland, College Pk, MD 20742 USA.
[Barlage, M.; Chen, F.] Natl Ctr Atmospher Res, Res Applicat Lab, POB 3000, Boulder, CO 80307 USA.
[Cai, X.] Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA.
RP Yang, ZL (reprint author), Univ Texas Austin, Dept Geol Sci, John A & Katherine G Jackson Sch Geosci, Austin, TX USA.
EM liang@jsg.utexas.edu
RI Chen, Fei/B-1747-2009; Yang, Zong-Liang/B-4916-2011; zhang,
xuesong/B-7907-2009;
OI Fisher, Joshua/0000-0003-4734-9085; Cai, Xitian/0000-0002-4798-4954;
Yang, Zong-Liang/0000-0003-3030-0330
FU NASA [NNX11AE42G, NNH11DA001N, NNH13ZDA001N]; National Center for
Atmospheric Research Advanced Study Program; NASA Jet Propulsion
Laboratory Strategic University Research Partnership Program; US
Department of Energy, Office of Science, Terrestrial Ecosystem Science
program; NSF Ecosystem Science program; NSF LTER Program [DEB 1027253];
Michigan State University AgBioResearch; DOE Great Lakes Bioenergy
Research Center [DE-FCO2-07ER64494, DE-ACO5-76RL01830]
FX This work is supported by the NASA grant NNX11AE42G, the National Center
for Atmospheric Research Advanced Study Program, and the NASA Jet
Propulsion Laboratory Strategic University Research Partnership Program.
The first author would like to thank Guo-Yue Niu and Mingjie Shi for
their help and the beneficial discussion with them. J. B. Fisher
contributed to this research from the Jet Propulsion Laboratory,
California Institute of Technology, under a contract with NASA, and
through the University of California, Los Angeles. J. B. Fisher was
supported by the US Department of Energy, Office of Science, Terrestrial
Ecosystem Science program, and by the NSF Ecosystem Science program. X.
Zhang's contribution was supported by NASA (NNH11DA001N and
NNH13ZDA001N). We are grateful for the observational data from the
Kellogg Biological Station, which is supported by the NSF LTER Program
(DEB 1027253), by Michigan State University AgBioResearch, and by the
DOE Great Lakes Bioenergy Research Center (DE-FCO2-07ER64494 and
DE-ACO5-76RL01830).
NR 40
TC 3
Z9 3
U1 4
U2 8
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 2016
VL 9
IS 1
BP 1
EP 15
DI 10.5194/gmd-9-1-2016
PG 15
WC Geosciences, Multidisciplinary
SC Geology
GA DN2ZX
UT WOS:000376932900001
ER
PT J
AU Liu, X
Ma, PL
Wang, H
Tilmes, S
Singh, B
Easter, RC
Ghan, SJ
Rasch, PJ
AF Liu, X.
Ma, P. -L.
Wang, H.
Tilmes, S.
Singh, B.
Easter, R. C.
Ghan, S. J.
Rasch, P. J.
TI Description and evaluation of a new four-mode version of the Modal
Aerosol Module (MAM4) within version 5.3 of the Community Atmosphere
Model
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID GENERAL-CIRCULATION MODEL; GLOBAL CLIMATE MODEL; BLACK CARBON; AIRCRAFT
OBSERVATIONS; OPTICAL-PROPERTIES; MIXING STATE; AEROCOM;
PARAMETERIZATION; SIMULATIONS; SNOW
AB Atmospheric carbonaceous aerosols play an important role in the climate system by influencing the Earth's radiation budgets and modifying the cloud properties. Despite the importance, their representations in large-scale atmospheric models are still crude, which can influence model simulated burden, lifetime, physical, chemical and optical properties, and the climate forcing of carbonaceous aerosols. In this study, we improve the current three-mode version of the Modal Aerosol Module (MAM3) in the Community Atmosphere Model version 5 (CAM5) by introducing an additional primary carbon mode to explicitly account for the microphysical ageing of primary carbonaceous aerosols in the atmosphere. Compared to MAM3, the four-mode version of MAM (MAM4) significantly increases the column burdens of primary particulate organic matter (POM) and black carbon (BC) by up to 40% in many remote regions, where in-cloud scavenging plays an important role in determining the aerosol concentrations. Differences in the column burdens for other types of aerosol (e.g., sulfate, secondary organic aerosols, mineral dust, sea salt) are less than 1 %. Evaluating the MAM4 simulation against in situ surface and aircraft observations, we find that MAM4 significantly improves the simulation of seasonal variation of near-surface BC concentrations in the polar regions, by increasing the BC concentrations in all seasons and particularly in cold seasons. However, it exacerbates the overestimation of modeled BC concentrations in the upper troposphere in the Pacific regions. The comparisons suggest that, to address the remaining model POM and BC biases, future improvements are required related to (1) in-cloud scavenging and vertical transport in convective clouds and (2) emissions of anthropogenic and biomass burning aerosols.
C1 [Liu, X.; Ma, P. -L.; Wang, H.; Singh, B.; Easter, R. C.; Ghan, S. J.; Rasch, P. J.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Tilmes, S.] Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA.
[Liu, X.] Univ Wyoming, Dept Atmospher Sci, Laramie, WY 82071 USA.
RP Liu, X (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.; Liu, X (reprint author), Univ Wyoming, Dept Atmospher Sci, Laramie, WY 82071 USA.
EM xliu6@uwyo.edu
RI Ghan, Steven/H-4301-2011; Wang, Hailong/B-8061-2010; Liu,
Xiaohong/E-9304-2011;
OI Ghan, Steven/0000-0001-8355-8699; Wang, Hailong/0000-0002-1994-4402;
Liu, Xiaohong/0000-0002-3994-5955; Ma, Po-Lun/0000-0003-3109-5316
FU U.S. Department of Energy, Office of Biological and Environmental
Research, Earth System Modeling Program; DOE by Battelle Memorial
Institute [DE-AC05-76RL01830]; National Science Foundation
FX This work was supported by the U.S. Department of Energy, Office of
Biological and Environmental Research, Earth System Modeling Program.
The Pacific Northwest National Laboratory is operated for DOE by
Battelle Memorial Institute under contract DE-AC05-76RL01830. The
National Center for Atmospheric Research is funded by the National
Science Foundation.
NR 65
TC 5
Z9 5
U1 4
U2 6
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 2016
VL 9
IS 2
BP 505
EP 522
DI 10.5194/gmd-9-505-2016
PG 18
WC Geosciences, Multidisciplinary
SC Geology
GA DN3AF
UT WOS:000376933700003
ER
PT J
AU Ali, AA
Xu, C
Rogers, A
Fisher, RA
Wullschleger, SD
Massoud, EC
Vrugt, JA
Muss, JD
McDowell, NG
Fisher, JB
Reich, PB
Wilson, CJ
AF Ali, A. A.
Xu, C.
Rogers, A.
Fisher, R. A.
Wullschleger, S. D.
Massoud, E. C.
Vrugt, J. A.
Muss, J. D.
McDowell, N. G.
Fisher, J. B.
Reich, P. B.
Wilson, C. J.
TI A global scale mechanistic model of photosynthetic capacity (LUNA V1.0)
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID EARTH SYSTEM MODEL; TEMPERATURE RESPONSE FUNCTIONS; BIOCHEMICALLY BASED
MODEL; STOMATAL CONDUCTANCE; LEAF NITROGEN; VEGETATION DYNAMICS;
ELECTRON-TRANSPORT; ELEVATED CO2; CARBON GAIN; RIBULOSE-1,5-BISPHOSPHATE
CARBOXYLASE/OXYGENASE
AB Although plant photosynthetic capacity as determined by the maximum carboxylation rate (i.e., V-c,V-max25) and the maximum electron transport rate (i. e., J(max25)) at a reference temperature (generally 25 degrees C) is known to vary considerably in space and time in response to environmental conditions, it is typically parameterized in Earth system models (ESMs) with tabulated values associated with plant functional types. In this study, we have developed a mechanistic model of leaf utilization of nitrogen for assimilation (LUNA) to predict photosynthetic capacity at the global scale under different environmental conditions. We adopt an optimality hypothesis to nitrogen allocation among light capture, electron transport, carboxylation and respiration. The LUNA model is able to reasonably capture the measured spatial and temporal patterns of photosynthetic capacity as it explains similar to 55% of the global variation in observed values of V-c,V-max25 and similar to 65% of the variation in the observed values of J(max25). Model simulations with LUNA under current and future climate conditions demonstrate that modeled values of V-c,V-max25 are most affected in high-latitude regions under future climates. ESMs that relate the values of V-c,V-max25 or J(max25) to plant functional types only are likely to substantially overestimate future global photosynthesis.
C1 [Ali, A. A.; Xu, C.; Muss, J. D.; McDowell, N. G.; Wilson, C. J.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA.
[Ali, A. A.; Massoud, E. C.; Vrugt, J. A.] Univ Calif Irvine, Dept Civil & Environm Engn, Irvine, CA USA.
[Rogers, A.] Brookhaven Natl Lab, Environm & Climate Sci Dept, Upton, NY 11973 USA.
[Fisher, R. A.] Natl Ctr Atmospher Res, Climate & Global Dynam, POB 3000, Boulder, CO 80307 USA.
[Wullschleger, S. D.] Oak Ridge Natl Lab, Div Environm Sci, Climate Change Sci Inst, POB 2008, Oak Ridge, TN 37831 USA.
[Vrugt, J. A.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA USA.
[Fisher, J. B.] CALTECH, Jet Prop Lab, Pasadena, CA USA.
[Reich, P. B.] Univ Minnesota, Dept Forest Resources, St Paul, MN 55108 USA.
[Reich, P. B.] Univ Western Sydney, Hawkesbury Inst Environm, Penrith, NSW 1797, Australia.
RP Xu, C (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA.
EM xuchongang@gmail.com
RI Rogers, Alistair/E-1177-2011; Wullschleger, Stan/B-8297-2012;
OI Rogers, Alistair/0000-0001-9262-7430; Wullschleger,
Stan/0000-0002-9869-0446; Xu, Chonggang/0000-0002-0937-5744; Fisher,
Joshua/0000-0003-4734-9085
FU UC Lab Research Program [237285]; DOE Office of Science, Next Generation
Ecosystem Experiment (NGEE) programs in the arctic and in the tropics
FX This work is funded by UC Lab Research Program ( ID: 237285) and by the
DOE Office of Science, Next Generation Ecosystem Experiment (NGEE)
programs in the arctic and in the tropics. This submission is under
public release with the approved LA-UR-14-23309.
NR 104
TC 0
Z9 0
U1 3
U2 10
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 2016
VL 9
IS 2
BP 587
EP 606
DI 10.5194/gmd-9-587-2016
PG 20
WC Geosciences, Multidisciplinary
SC Geology
GA DN3AF
UT WOS:000376933700007
ER
PT J
AU Zhang, K
Zhao, C
Wan, H
Qian, Y
Easter, RC
Ghan, SJ
Sakaguchi, K
Liu, XH
AF Zhang, Kai
Zhao, Chun
Wan, Hui
Qian, Yun
Easter, Richard C.
Ghan, Steven J.
Sakaguchi, Koichi
Liu, Xiaohong
TI Quantifying the impact of sub-grid surface wind variability on sea salt
and dust emissions in CAM5
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID COMMUNITY ATMOSPHERE MODEL; CLOUD MICROPHYSICS SCHEME;
GENERAL-CIRCULATION MODEL; BOUNDARY-LAYER; CLIMATE MODEL;
RELATIVE-HUMIDITY; SCALE VARIATIONS; SULFATE AEROSOL; GLOBAL-MODELS;
PART II
AB This paper evaluates the impact of sub-grid variability of surface wind on sea salt and dust emissions in the Community Atmosphere Model version 5 (CAM5). The basic strategy is to calculate emission fluxes multiple times, using different wind speed samples of a Weibull probability distribution derived from model-predicted grid-box mean quantities.
In order to derive the Weibull distribution, the sub-grid standard deviation of surface wind speed is estimated by taking into account four mechanisms: turbulence under neutral and stable conditions, dry convective eddies, moist convective eddies over the ocean, and air motions induced by mesoscale systems and fine-scale topography over land. The contributions of turbulence and dry convective eddy are parameterized using schemes from the literature. Wind variabilities caused by moist convective eddies and fine-scale topography are estimated using empirical relationships derived from an operational weather analysis data set at 15 km resolution. The estimated sub-grid standard deviations of surface wind speed agree well with reference results derived from 1 year of global weather analysis at 15 km resolution and from two regional model simulations with 3 km grid spacing.
The wind-distribution-based emission calculations are implemented in CAM5. In terms of computational cost, the increase in total simulation time turns out to be less than 3 %. Simulations at 2 degrees resolution indicate that sub-grid wind variability has relatively small impacts (about 7% increase) on the global annual mean emission of sea salt aerosols, but considerable influence on the emission of dust. Among the considered mechanisms, dry convective eddies and mesoscale flows associated with topography are major causes of dust emission enhancement. With all the four mechanisms included and without additional adjustment of uncertain parameters in the model, the simulated global and annual mean dust emission increase by about 50% compared to the default model. By tuning the globally constant dust emission scale factor, the global annual mean dust emission, aerosol optical depth, and top-of-atmosphere radiative fluxes can be adjusted to the level of the default model, but the frequency distribution of dust emission changes, with more contribution from weaker wind events and less contribution from stronger wind events. In Africa and Asia, the overall frequencies of occurrence of dust emissions increase, and the seasonal variations are enhanced, while the geographical patterns of the emission frequency show little change.
C1 [Zhang, Kai; Zhao, Chun; Wan, Hui; Qian, Yun; Easter, Richard C.; Ghan, Steven J.; Sakaguchi, Koichi] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Liu, Xiaohong] Univ Wyoming, Dept Atmospher Sci, Laramie, WY 82071 USA.
RP Zhang, K (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM kai.zhang@pnnl.gov
RI Ghan, Steven/H-4301-2011; qian, yun/E-1845-2011; Zhang, Kai/F-8415-2010;
Wan, Hui/J-4701-2013; Liu, Xiaohong/E-9304-2011
OI Ghan, Steven/0000-0001-8355-8699; Zhang, Kai/0000-0003-0457-6368; Liu,
Xiaohong/0000-0002-3994-5955
FU U.S. Department of Energy (DOE) office of Science as part of the
Scientific Discovery Through Advanced Computing (SciDAC) project on
Multiscale Methods for Accurate, Efficient, and Scale-Aware Models of
the Earth System; DOE by Battelle Memorial Institute [DE-AC06-76RLO
1830]; NCAR's Computational and Information Systems Laboratory; National
Science Foundation (NSF)
FX This work was supported by the U.S. Department of Energy (DOE) office of
Science as part of the Scientific Discovery Through Advanced Computing
(SciDAC) project on Multiscale Methods for Accurate, Efficient, and
Scale-Aware Models of the Earth System. The Pacific Northwest National
Laboratory is operated for DOE by Battelle Memorial Institute under
contract DE-AC06-76RLO 1830. We appreciate the comments and suggestions
from the two anonymous reviewers and from the editor. We thank Charlie
Zender for making the Dust Entrainment and Deposition Model (DEAD)
available for public access. We also are grateful to Phil Rasch and
Po-Lun Ma (PNNL) for helpful discussions. Computational resources
(ark:/85065/d7wd3xhc) at the NCAR-Wyoming Supercomputing Center were
provided by the National Science Foundation and the State of Wyoming,
and supported by NCAR's Computational and Information Systems
Laboratory. Computational resources at the Pacific Northwest National
Laboratory were provided by the PNNL Institutional Computing (PIC). The
ECMWF operational analysis used in this study were obtained from the
Research Data Archive (RDA) maintained by the Computational and
Information Systems Laboratory (CISL) at the National Center for
Atmospheric Research (NCAR). NCAR is sponsored by the National Science
Foundation (NSF). The post-processing of model results was conducted
using the Climate Data Operators (CDO, available at
http://www.mpimet.mpg.de/cdo) and the NCAR Command Language (NCL,
available at http://dx.doi.org/10.5065/D6WD3XH5).
NR 67
TC 2
Z9 2
U1 2
U2 8
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 2016
VL 9
IS 2
BP 607
EP 632
DI 10.5194/gmd-9-607-2016
PG 26
WC Geosciences, Multidisciplinary
SC Geology
GA DN3AF
UT WOS:000376933700008
ER
PT J
AU Tang, GP
Yuan, FM
Bisht, G
Hammond, GE
Lichtner, PC
Kumar, J
Mills, RT
Xu, XF
Andre, B
Hoffman, FM
Painter, SL
Thornton, PE
AF Tang, Guoping
Yuan, Fengming
Bisht, Gautam
Hammond, Glenn E.
Lichtner, Peter C.
Kumar, Jitendra
Mills, Richard T.
Xu, Xiaofeng
Andre, Ben
Hoffman, Forrest M.
Painter, Scott L.
Thornton, Peter E.
TI Addressing numerical challenges in introducing a reactive transport code
into a land surface model: a biogeochemical modeling proof-of-concept
with CLM-PFLOTRAN 1.0
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID SOIL ORGANIC-MATTER; HETEROTROPHIC BACTERIA; NITROGEN UPTAKE;
EXPERIMENTAL DROUGHT; FOREST PRODUCTIVITY; INORGANIC NITROGEN;
GENERALIZED-MODEL; CARBON; NITRATE; ECOSYSTEM
AB We explore coupling to a configurable subsurface reactive transport code as a flexible and extensible approach to biogeochemistry in land surface models. A reaction network with the Community Land Model carbon-nitrogen (CLM-CN) decomposition, nitrification, denitrification, and plant uptake is used as an example. We implement the reactions in the open-source PFLOTRAN (massively parallel subsurface flow and reactive transport) code and couple it with the CLM. To make the rate formulae designed for use in explicit time stepping in CLMs compatible with the implicit time stepping used in PFLOTRAN, the Monod substrate rate-limiting function with a residual concentration is used to represent the limitation of nitrogen availability on plant uptake and immobilization. We demonstrate that CLM-PFLOTRAN predictions (without invoking PFLOTRAN transport) are consistent with CLM4.5 for Arctic, temperate, and tropical sites.
Switching from explicit to implicit method increases rigor but introduces numerical challenges. Care needs to be taken to use scaling, clipping, or log transformation to avoid negative concentrations during the Newton iterations. With a tight relative update tolerance (STOL) to avoid false convergence, an accurate solution can be achieved with about 50% more computing time than CLM in point mode site simulations using either the scaling or clipping methods. The log transformation method takes 60-100% more computing time than CLM. The computing time increases slightly for clipping and scaling; it increases substantially for log transformation for half saturation decrease from 10(-3) to 10(-9) molm(-3), which normally results in decreasing nitrogen concentrations. The frequent occurrence of very low concentrations (e.g. below nanomolar) can increase the computing time for clipping or scaling by about 20 %, double for log transformation. Overall, the log transformation method is accurate and robust, and the clipping and scaling methods are efficient. When the reaction network is highly nonlinear or the half saturation or residual concentration is very low, the allowable time-step cuts may need to be increased for robustness for the log transformation method, or STOL may need to be tightened for the clipping and scaling methods to avoid false convergence.
As some biogeochemical processes (e.g., methane and nitrous oxide reactions) involve very low half saturation and thresholds, this work provides insights for addressing non-physical negativity issues and facilitates the representation of a mechanistic biogeochemical description in Earth system models to reduce climate prediction uncertainty.
C1 [Tang, Guoping; Yuan, Fengming; Bisht, Gautam; Kumar, Jitendra; Xu, Xiaofeng; Hoffman, Forrest M.; Painter, Scott L.; Thornton, Peter E.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Bisht, Gautam; Andre, Ben] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Hammond, Glenn E.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Hammond, Glenn E.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Lichtner, Peter C.] OFM Res Southwest, Santa Fe, NM USA.
[Mills, Richard T.] Intel Corp, Hillsboro, OR 97124 USA.
[Xu, Xiaofeng] San Diego State Univ, San Diego, CA 92182 USA.
[Andre, Ben] Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA.
RP Painter, SL; Thornton, PE (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN USA.
EM paintersl@ornl.gov; thorntonpe@ornl.gov
RI Painter, Scott/C-2586-2016; Xu, Xiaofeng/B-2391-2008; Hoffman,
Forrest/B-8667-2012; Thornton, Peter/B-9145-2012;
OI Painter, Scott/0000-0002-0901-6987; Xu, Xiaofeng/0000-0002-6553-6514;
Hoffman, Forrest/0000-0001-5802-4134; Thornton,
Peter/0000-0002-4759-5158; Kumar, Jitendra/0000-0002-0159-0546
FU U.S. Department of Energy, Office of Sciences, Biological and
Environmental Research, Terrestrial Ecosystem Sciences and Subsurface
Biogeochemical Research Program; ORNL Laboratory Directed Research and
Development (LDRD) program; U.S. Department of Energy
[DE-AC05-00OR22725]
FX Thanks to Nathaniel O. Collier at ORNL for many discussions that
contributed significantly to this work. Thanks to Kathie Tallant and
Kathy Jones at ORNL for editing service. This research was funded by the
U.S. Department of Energy, Office of Sciences, Biological and
Environmental Research, Terrestrial Ecosystem Sciences and Subsurface
Biogeochemical Research Program, and is a product of the Next-Generation
Ecosystem Experiments in the Arctic (NGEE-Arctic) project. Development
of CLM-PFLOTRAN was partially supported by the ORNL Laboratory Directed
Research and Development (LDRD) program. ORNL is managed by UT-Battelle,
LLC, for the U.S. Department of Energy under contract DE-AC05-00OR22725.
NR 59
TC 2
Z9 2
U1 4
U2 5
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 2016
VL 9
IS 3
BP 927
EP 946
DI 10.5194/gmd-9-927-2016
PG 20
WC Geosciences, Multidisciplinary
SC Geology
GA DN3AQ
UT WOS:000376934900001
ER
PT J
AU Bosler, PA
Roesler, EL
Taylor, MA
Mundt, MR
AF Bosler, Peter A.
Roesler, Erika L.
Taylor, Mark A.
Mundt, Miranda R.
TI Stride Search: a general algorithm for storm detection in
high-resolution climate data
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID OBJECTIVE IDENTIFICATION; POLAR LOW; INTERANNUAL VARIABILITY; GCM
INTEGRATIONS; NORTH-ATLANTIC; CYCLONES; SIMULATIONS; TRACKING;
HEMISPHERE; REANALYSES
AB This article discusses the problem of identifying extreme climate events such as intense storms within large climate data sets. The basic storm detection algorithm is reviewed, which splits the problem into two parts: a spatial search followed by a temporal correlation problem. Two specific implementations of the spatial search algorithm are compared: the commonly used grid point search algorithm is reviewed, and a new algorithm called Stride Search is introduced. The Stride Search algorithm is defined independently of the spatial discretization associated with a particular data set. Results from the two algorithms are compared for the application of tropical cyclone detection, and shown to produce similar results for the same set of storm identification criteria. Differences between the two algorithms arise for some storms due to their different definition of search regions in physical space. The physical space associated with each Stride Search region is constant, regardless of data resolution or latitude, and Stride Search is therefore capable of searching all regions of the globe in the same manner. Stride Search's ability to search high latitudes is demonstrated for the case of polar low detection. Wall clock time required for Stride Search is shown to be smaller than a grid point search of the same data, and the relative speed up associated with Stride Search increases as resolution increases.
C1 [Bosler, Peter A.; Taylor, Mark A.] Sandia Natl Labs, Ctr Res Comp, POB 5800, Albuquerque, NM 87185 USA.
[Roesler, Erika L.] Sandia Natl Labs, Geophys & Atmospher Sci, POB 5800, Albuquerque, NM 87185 USA.
[Mundt, Miranda R.] Univ Calif Los Angeles, Dept Math, POB 951555, Los Angeles, CA 90095 USA.
RP Bosler, PA (reprint author), Sandia Natl Labs, Ctr Res Comp, POB 5800, Albuquerque, NM 87185 USA.
EM pabosle@sandia.gov
FU Sandia National Laboratories' John von Neumann Postdoctoral Fellowship;
Water Cycle and Climate Extremes Modeling project by Office of
Biological and Environmental Research in the DOE Office of Science;
Office of Science of the US Department of Energy [DE-AC02-06CH11357];
U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000, 2015-4839J]
FX This work was supported by Sandia National Laboratories' John von
Neumann Postdoctoral Fellowship and by the Water Cycle and Climate
Extremes Modeling project which is supported by the Office of Biological
and Environmental Research in the DOE Office of Science. This research
used resources of the Argonne Leadership Computing Facility at Argonne
National Laboratory, which is supported by the Office of Science of the
US Department of Energy under contract DE-AC02-06CH11357.; 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. SAND NO.
2015-4839J.
NR 43
TC 1
Z9 1
U1 0
U2 5
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 2016
VL 9
IS 4
BP 1383
EP 1398
DI 10.5194/gmd-9-1383-2016
PG 16
WC Geosciences, Multidisciplinary
SC Geology
GA DN3BC
UT WOS:000376936200005
ER
PT J
AU Hu, ZY
Zhao, C
Huang, JP
Leung, LR
Qian, Y
Yu, HB
Huang, L
Kalashnikova, OV
AF Hu, Zhiyuan
Zhao, Chun
Huang, Jianping
Leung, L. Ruby
Qian, Yun
Yu, Hongbin
Huang, Lei
Kalashnikova, Olga V.
TI Trans-Pacific transport and evolution of aerosols: evaluation of
quasi-global WRF-Chem simulation with multiple observations
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID CALIPSO LIDAR MEASUREMENTS; WESTERN UNITED-STATES; DUST MASS-BALANCE;
OPTICAL-PROPERTIES; NORTH-AMERICA; MINERAL DUST; BLACK CARBON;
AIR-POLLUTION; INTERCONTINENTAL TRANSPORT; IMAGING SPECTRORADIOMETER
AB A fully coupled meteorology-chemistry model (WRF-Chem, the Weather Research and Forecasting model coupled with chemistry) has been configured to conduct quasi-global simulation for 5 years (2010-2014) and evaluated with multiple observation data sets for the first time. The evaluation focuses on the simulation over the trans-Pacific transport region using various reanalysis and observational data sets for meteorological fields and aerosol properties. The simulation generally captures the overall spatial and seasonal variability of satellite retrieved aerosol optical depth (AOD) and absorbing AOD (AAOD) over the Pacific that is determined by the outflow of pollutants and dust and the emissions of marine aerosols. The assessment of simulated extinction Angstrom exponent (EAE) indicates that the model generally reproduces the variability of aerosol size distributions as seen by satellites. In addition, the vertical profile of aerosol extinction and its seasonality over the Pacific are also well simulated. The difference between the simulation and satellite retrievals can be mainly attributed to model biases in estimating marine aerosol emissions as well as the satellite sampling and retrieval uncertainties. Compared with the surface measurements over the western USA, the model reasonably simulates the observed magnitude and seasonality of dust, sulfate, and nitrate surface concentrations, but significantly underestimates the peak surface concentrations of carbonaceous aerosol likely due to model biases in the spatial and temporal variability of biomass burning emissions and secondary organic aerosol (SOA) production. A sensitivity simulation shows that the trans-Pacific transported dust, sulfate, and nitrate can make significant contribution to surface concentrations over the rural areas of the western USA, while the peaks of carbonaceous aerosol surface concentrations are dominated by the North American emissions. Both the retrievals and simulation show small interannual variability of aerosol characteristics for 2010-2014 averaged over three Pacific sub-regions. The evaluation in this study demonstrates that the WRF-Chem quasi-global simulation can be used for investigating trans-Pacific transport of aerosols and providing reasonable inflow chemical boundaries for the western USA, allowing one to further understand the impact of transported pollutants on the regional air quality and climate with high-resolution nested regional modeling.
C1 [Hu, Zhiyuan; Huang, Jianping] Lanzhou Univ, Minist Educ, Key Lab Semiarid Climate Change, Lanzhou 730000, Gansu, Peoples R China.
[Hu, Zhiyuan; Zhao, Chun; Leung, L. Ruby; Qian, Yun] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Yu, Hongbin] Univ Maryland, Earth Syst Sci Interdisciplinary Ctr, College Pk, MD 20742 USA.
[Yu, Hongbin] NASA, Div Earth Sci, Goddard Space Flight Ctr, Greenbelt, MD USA.
[Huang, Lei; Kalashnikova, Olga V.] CALTECH, Jet Prop Lab, Pasadena, CA USA.
[Huang, Lei; Kalashnikova, Olga V.] NASA, Pasadena, CA USA.
RP Zhao, C (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
EM chun.zhao@pnnl.gov
RI Yu, Hongbin/C-6485-2008; qian, yun/E-1845-2011
OI Yu, Hongbin/0000-0003-4706-1575;
FU Office of Science of the U.S. Department of Energy (DOE) as part of the
Regional & Global Climate Modeling (RGCM) program; National Basic
Research Program of China [2012CB955301]; NASA CALIPSO project
[NNX14AB21G]; DOE [DE-AC05-76RL01830]
FX This research was supported by the Office of Science of the U.S.
Department of Energy (DOE) as part of the Regional & Global Climate
Modeling (RGCM) program. Jianping Huang acknowledges support from the
National Basic Research Program of China (2012CB955301). Hongbin Yu was
supported by NASA CALIPSO project (NNX14AB21G) managed by David
Considine. This study used computing resources from the PNNL
Institutional Computing. Pacific Northwest National Laboratory is
operated by Battelle Memorial Institute for the DOE under contract
DE-AC05-76RL01830. The CALIPSO data were obtained from the NASA Langley
Research Center Atmospheric Sciences Data Center. MODIS and MISR data
were obtained from the NASA Atmospheric Science Data Center. OMI data
were obtained from the NASA Goddard Earth Sciences Data and Information
Services Center.
NR 132
TC 1
Z9 1
U1 12
U2 18
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 2016
VL 9
IS 5
BP 1725
EP 1746
DI 10.5194/gmd-9-1725-2016
PG 22
WC Geosciences, Multidisciplinary
SC Geology
GA DN3BR
UT WOS:000376937800005
ER
PT J
AU Eyring, V
Righi, M
Lauer, A
Evaldsson, M
Wenzel, S
Jones, C
Anav, A
Andrews, O
Cionni, I
Davin, EL
Deser, C
Ehbrecht, C
Friedlingstein, P
Gleckler, P
Gottschaldt, KD
Hagemann, S
Juckes, M
Kindermann, S
Krasting, J
Kunert, D
Levine, R
Loew, A
Makela, J
Martin, G
Mason, E
Phillips, AS
Read, S
Rio, C
Roehrig, R
Senftleben, D
Sterl, A
van Ulft, LH
Walton, J
Wang, SY
Williams, KD
AF Eyring, Veronika
Righi, Mattia
Lauer, Axel
Evaldsson, Martin
Wenzel, Sabrina
Jones, Colin
Anav, Alessandro
Andrews, Oliver
Cionni, Irene
Davin, Edouard L.
Deser, Clara
Ehbrecht, Carsten
Friedlingstein, Pierre
Gleckler, Peter
Gottschaldt, Klaus-Dirk
Hagemann, Stefan
Juckes, Martin
Kindermann, Stephan
Krasting, John
Kunert, Dominik
Levine, Richard
Loew, Alexander
Maekelae, Jarmo
Martin, Gill
Mason, Erik
Phillips, Adam S.
Read, Simon
Rio, Catherine
Roehrig, Romain
Senftleben, Daniel
Sterl, Andreas
van Ulft, Lambertus H.
Walton, Jeremy
Wang, Shiyu
Williams, Keith D.
TI ESMValTool (v1.0) - a community diagnostic and performance metrics tool
for routine evaluation of Earth system models in CMIP
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID ASIAN SUMMER MONSOON; LINE SIMULATION CHARACTERISTICS; INTERCOMPARISON
PROJECT ACCMIP; OUTGOING LONGWAVE RADIATION; NINO-SOUTHERN-OSCILLATION;
SEA-SURFACE TEMPERATURE; CHEMISTRY-CLIMATE MODEL; NORTH-AMERICAN
CLIMATE; CARBON-CYCLE FEEDBACKS; WEST-AFRICAN MONSOON
AB A community diagnostics and performance metrics tool for the evaluation of Earth system models (ESMs) has been developed that allows for routine comparison of single or multiple models, either against predecessor versions or against observations. The priority of the effort so far has been to target specific scientific themes focusing on selected essential climate variables (ECVs), a range of known systematic biases common to ESMs, such as coupled tropical climate variability, monsoons, Southern Ocean processes, continental dry biases, and soil hydrology-climate interactions, as well as atmospheric CO2 budgets, tropospheric and stratospheric ozone, and tropospheric aerosols. The tool is being developed in such a way that additional analyses can easily be added. A set of standard namelists for each scientific topic reproduces specific sets of diagnostics or performance metrics that have demonstrated their importance in ESM evaluation in the peer-reviewed literature. The Earth System Model Evaluation Tool (ESMValTool) is a community effort open to both users and developers encouraging open exchange of diagnostic source code and evaluation results from the Coupled Model Intercomparison Project (CMIP) ensemble. This will facilitate and improve ESM evaluation beyond the state-of-the-art and aims at supporting such activities within CMIP and at individual modelling centres. Ultimately, we envisage running the ESMValTool alongside the Earth System Grid Federation (ESGF) as part of a more routine evaluation of CMIP model simulations while utilizing observations available in standard formats (obs4MIPs) or provided by the user.
C1 [Eyring, Veronika; Righi, Mattia; Lauer, Axel; Wenzel, Sabrina; Gottschaldt, Klaus-Dirk; Kunert, Dominik; Senftleben, Daniel] Deutsch Zentrum Luft & Raumfahrt DLR, Inst Phys Atmosphare, Oberpfaffenhofen, Germany.
[Evaldsson, Martin; Wang, Shiyu] Swedish Meteorol & Hydrol Inst, S-60176 Norrkoping, Sweden.
[Jones, Colin] Univ Leeds, Leeds, W Yorkshire, England.
[Jones, Colin; Levine, Richard; Martin, Gill; Walton, Jeremy; Williams, Keith D.] Meteorol Off, Hadley Ctr, Exeter, Devon, England.
[Anav, Alessandro; Friedlingstein, Pierre] Univ Exeter, Exeter, Devon, England.
[Andrews, Oliver] Univ E Anglia, Sch Environm Sci, Tyndall Ctr Climate Change Res, Norwich NR4 7TJ, Norfolk, England.
[Cionni, Irene] Energia Sviluppo Econ Sostenibile ENEA, Agenzia Nazl Nuove Tecnol, Rome, Italy.
[Davin, Edouard L.] ETH, Zurich, Switzerland.
[Deser, Clara; Phillips, Adam S.] Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA.
[Ehbrecht, Carsten; Hagemann, Stefan] Deutsch Klimarechenzentrum, Hamburg, Germany.
[Gleckler, Peter] Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA USA.
[Hagemann, Stefan; Loew, Alexander] Max Planck Inst Meteorol, Bundesstr 55, D-20146 Hamburg, Germany.
[Juckes, Martin] STFC Rutherford Appleton Lab, British Atmospher Data Ctr, Natl Ctr Atmospher Sci, Didcot, Oxon, England.
[Krasting, John; Mason, Erik] NOAA, Geophys Fluid Dynam Lab, Princeton, NJ USA.
[Loew, Alexander] Univ Munich, Munich, Germany.
[Maekelae, Jarmo] Finnish Meteorol Inst, FIN-00101 Helsinki, Finland.
[Mason, Erik] Engility Corp, Chantilly, VA USA.
[Read, Simon] Univ Reading, Reading, Berks, England.
[Rio, Catherine] Institut Pierre Simon Laplace, Paris, France.
[Roehrig, Romain] Meteo France, CNRM GAME, Toulouse, France.
[Roehrig, Romain] CNRS, Toulouse, France.
[van Ulft, Lambertus H.] Royal Netherlands Meteorol Inst, KNMI, POB 201, NL-3730 AE De Bilt, Netherlands.
RP Eyring, V (reprint author), Deutsch Zentrum Luft & Raumfahrt DLR, Inst Phys Atmosphare, Oberpfaffenhofen, Germany.
EM veronika.eyring@dlr.de
RI Friedlingstein, Pierre/H-2700-2014; Righi, Mattia/I-5120-2013; Eyring,
Veronika/O-9999-2016; Makela, Jarmo/H-4154-2016; Davin,
Edouard/L-7033-2016; Jones, Chris/I-2983-2014;
OI Eyring, Veronika/0000-0002-6887-4885; Makela, Jarmo/0000-0002-8788-3939;
Davin, Edouard/0000-0003-3322-9330; Levine, Richard/0000-0003-1210-0415;
Gottschaldt, Klaus/0000-0002-2046-6137
FU European Commission's 7th Framework Programme [282672]; "Earth system
Model Bias Reduction and assessing Abrupt Climate change (EMBRACE)"
project; DLR "Earth System Model Validation (ESMVal)" project;
"Klimarelevanz von atmospharischen Spurengasen, Aerosolen und Wolken:
Auf dem Weg zu EarthCARE und MERLIN (KliSAW)" project; ESA's Climate
Change Initiative Climate Modelling User Group (CMUG)
FX The development of the ESMValTool (v1.0) was funded by the European
Commission's 7th Framework Programme, under Grant Agreement number
282672, the "Earth system Model Bias Reduction and assessing Abrupt
Climate change (EMBRACE)" project and the DLR "Earth System Model
Validation (ESMVal)" and "Klimarelevanz von atmospharischen Spurengasen,
Aerosolen und Wolken: Auf dem Weg zu EarthCARE und MERLIN (KliSAW)"
projects. In addition, financial support for the development of
ESMValTool (v1.0) was provided by ESA's Climate Change Initiative
Climate Modelling User Group (CMUG). We acknowledge the World Climate
Research Program's (WCRP's) Working Group on Coupled Modelling (WGCM),
which is responsible for CMIP, and we thank the climate modelling groups
for producing and making available their model output. For CMIP the US
Department of Energy's Program for Climate Model Diagnosis and
Intercomparison provides coordinating support and led development of
software infrastructure in partnership with the Global Organization for
Earth System Science Portals. We thank Bjorn Brotz (DLR, Germany) for
his help with the release of the ESMValTool and Clare Enright (UEA, UK)
for support with development of the ocean biogeochemistry diagnostics.
We are grateful to Patrick Jockel (DLR, Germany), Ron Stouffer (GFDL,
USA) and to the two anonymous referees for their constructive comments
on the manuscript.
NR 199
TC 11
Z9 11
U1 6
U2 13
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 2016
VL 9
IS 5
BP 1747
EP 1802
DI 10.5194/gmd-9-1747-2016
PG 56
WC Geosciences, Multidisciplinary
SC Geology
GA DN3BR
UT WOS:000376937800006
ER
PT J
AU Goldberg, DN
Narayanan, HK
Hascoet, L
Utke, J
AF Goldberg, Daniel N.
Narayanan, Hari Krishna
Hascoet, Laurent
Utke, Jean
TI An optimized treatment for algorithmic differentiation of an important
glaciological fixed-point problem
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID ANTARCTIC ICE-SHEET; PINE ISLAND GLACIER; WEST ANTARCTICA; BASAL
FRICTION; HIGHER-ORDER; FLOW MODEL; INITIAL CONDITIONS; DATA
ASSIMILATION; ADJOINT MODEL; STREAM-E
AB We apply an optimized method to the adjoint generation of a time-evolving land ice model through algorithmic differentiation (AD). The optimization involves a special treatment of the fixed-point iteration required to solve the nonlinear stress balance, which differs from a straight-forward application of AD software, and leads to smaller memory requirements and in some cases shorter computation times of the adjoint. The optimization is done via implementation of the algorithm of Christianson (1994) for reverse accumulation of fixed-point problems, with the AD tool OpenAD. For test problems, the optimized adjoint is shown to have far lower memory requirements, potentially enabling larger problem sizes on memory-limited machines. In the case of the land ice model, implementation of the algorithm allows further optimization by having the adjoint model solve a sequence of linear systems with identical (as opposed to varying) matrices, greatly improving performance. The methods introduced here will be of value to other efforts applying AD tools to ice models, particularly ones which solve a hybrid shallow ice/shallow shelf approximation to the Stokes equations.
C1 [Goldberg, Daniel N.] Univ Edinburgh, Sch GeoSci, Edinburgh, Midlothian, Scotland.
[Narayanan, Hari Krishna] Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Hascoet, Laurent] INRIA Sophia Antipolis, Valbonne, France.
[Utke, Jean] Allstate Insurance Co, Northbrook, IL USA.
RP Goldberg, DN (reprint author), Univ Edinburgh, Sch GeoSci, Edinburgh, Midlothian, Scotland.
EM dan.goldberg@ed.ac.uk
FU NERC [NE/M003590/1]; ARCHER Embedded CSE support grant [eCSE03-09]; US
Department of Energy, Office of Science [DE-AC02-06CH11357]
FX This work was made possible in part through a SAGES (Scottish Alliance
for Geoscience, Environment and Society) travel grant for early career
exchange, NERC grant NE/M003590/1, ARCHER Embedded CSE support grant
eCSE03-09, and by a grant from the US Department of Energy, Office of
Science, under contract DE-AC02-06CH11357. We are grateful for valuable
input from Editor Ham, Referee Christianson, and one anonymous referee.
Additionally the authors are grateful for valuable input from B. Smith,
J. Brown, and P. Heimbach.
NR 54
TC 0
Z9 0
U1 0
U2 1
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 2016
VL 9
IS 5
BP 1891
EP 1904
DI 10.5194/gmd-9-1891-2016
PG 14
WC Geosciences, Multidisciplinary
SC Geology
GA DN3BR
UT WOS:000376937800010
ER
PT J
AU Eyring, V
Bony, S
Meehl, GA
Senior, CA
Stevens, B
Stouffer, RJ
Taylor, KE
AF Eyring, Veronika
Bony, Sandrine
Meehl, Gerald A.
Senior, Catherine A.
Stevens, Bjorn
Stouffer, Ronald J.
Taylor, Karl E.
TI Overview of the Coupled Model Intercomparison Project Phase 6 (CMIP6)
experimental design and organization
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID CLIMATE-CHANGE RESEARCH; CARBON-DIOXIDE; CIRCULATION; SCENARIOS; CO2
AB By coordinating the design and distribution of global climate model simulations of the past, current, and future climate, the Coupled Model Intercomparison Project (CMIP) has become one of the foundational elements of climate science. However, the need to address an ever-expanding range of scientific questions arising from more and more research communities has made it necessary to revise the organization of CMIP. After a long and wide community consultation, a new and more federated structure has been put in place. It consists of three major elements: (1) a handful of common experiments, the DECK (Diagnostic, Evaluation and Characterization of Klima) and CMIP historical simulations (1850-near present) that will maintain continuity and help document basic characteristics of models across different phases of CMIP; (2) common standards, coordination, infrastructure, and documentation that will facilitate the distribution of model outputs and the characterization of the model ensemble; and (3) an ensemble of CMIP-Endorsed Model Intercomparison Projects (MIPs) that will be specific to a particular phase of CMIP (now CMIP6) and that will build on the DECK and CMIP historical simulations to address a large range of specific questions and fill the scientific gaps of the previous CMIP phases. The DECK and CMIP historical simulations, together with the use of CMIP data standards, will be the entry cards for models participating in CMIP. Participation in CMIP6-Endorsed MIPs by individual modelling groups will be at their own discretion and will depend on their scientific interests and priorities. With the Grand Science Challenges of the World Climate Research Programme (WCRP) as its scientific backdrop, CMIP6 will address three broad questions:
- How does the Earth system respond to forcing?
- What are the origins and consequences of systematic model biases?
- How can we assess future climate changes given internal climate variability, predictability, and uncertainties in scenarios?
This CMIP6 overview paper presents the background and rationale for the new structure of CMIP, provides a detailed description of the DECK and CMIP6 historical simulations, and includes a brief introduction to the 21 CMIP6-Endorsed MIPs.
C1 [Eyring, Veronika] Deutsch Zentrum Luft & Raumfahrt DLR, Inst Phys Atmosphare, Oberpfaffenhofen, Germany.
[Bony, Sandrine] Univ Paris 06, CNRS, IPSL, LMD, Paris, France.
[Meehl, Gerald A.] NCAR, Boulder, CO USA.
[Senior, Catherine A.] Met Off Hadley Ctr, Exeter, Devon, England.
[Stevens, Bjorn] Max Planck Inst Meteorol, Bundesstr 55, D-20146 Hamburg, Germany.
[Stouffer, Ronald J.] NOAA, Geophys Fluid Dynam Lab, Princeton, NJ USA.
[Taylor, Karl E.] Lawrence Livermore Natl Lab, PCMDI, Livermore, CA USA.
RP Eyring, V (reprint author), Deutsch Zentrum Luft & Raumfahrt DLR, Inst Phys Atmosphare, Oberpfaffenhofen, Germany.
EM veronika.eyring@dlr.de
RI Taylor, Karl/F-7290-2011; Eyring, Veronika/O-9999-2016; Stevens,
Bjorn/A-1757-2013;
OI Taylor, Karl/0000-0002-6491-2135; Eyring, Veronika/0000-0002-6887-4885;
Stevens, Bjorn/0000-0003-3795-0475; Bony, Sandrine/0000-0002-4791-4438
FU Regional and Global Climate Modeling Program (RGCM) of the U.S.
Department of Energy's Office of Biological & Environmental Research
(BER) [DE-FC02-97ER62402]; U.S. National Science Foundation; National
Science Foundation
FX We thank the scientific community for their engagement in the definition
of CMIP6 and for the broad participation in the CMIP5 survey in 2013. We
thank the co-chairs and steering committee members of the CMIP6-Endorsed
MIPs for their continuous engagement in defining CMIP6, and the
modelling groups and wider community for reviewing the CMIP6 design and
organization. We thank the WGCM Infrastructure Panel (WIP) for
overseeing the CMIP6 infrastructure, Martin Juckes for taking the lead
in preparing the CMIP6 data request, and the group of scientists who are
producing forcing datasets for CMIP6. Thanks to Jonathan Gregory for
raising awareness about the treatment of volcanic forcing in the
pre-industrial control experiment and its consequence for sea level
changes, and to Pierre Friedlingstein, George Hurtt, Chris Jones, and
David Lawrence for help in defining carbon cycle and land-use
specifications in the DECK experiments and CMIP6 historical simulations.
Norbert Noreiks is thanked for help in drafting the figures. Thanks to
our topical editor Julia Hargreaves, to Gavin Schmidt and the other two
anonymous reviewers, and to everyone who contributed to the open
discussions for constructive comments. GM and KET were supported by the
Regional and Global Climate Modeling Program (RGCM) of the U.S.
Department of Energy's Office of Biological & Environmental Research
(BER) (through Cooperative Agreement no. DE-FC02-97ER62402 for GM), and
GM received additional support from the U.S. National Science
Foundation. The National Center for Atmospheric Research is sponsored by
the National Science Foundation.
NR 47
TC 33
Z9 33
U1 7
U2 21
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 2016
VL 9
IS 5
BP 1937
EP 1958
DI 10.5194/gmd-9-1937-2016
PG 22
WC Geosciences, Multidisciplinary
SC Geology
GA DN3BR
UT WOS:000376937800013
ER
PT J
AU Zhao, C
Huang, MY
Fast, JD
Berg, LK
Qian, Y
Guenther, A
Gu, DS
Shrivastava, M
Liu, Y
Walters, S
Pfister, G
Jin, JM
Shilling, JE
Warneke, C
AF Zhao, Chun
Huang, Maoyi
Fast, Jerome D.
Berg, Larry K.
Qian, Yun
Guenther, Alex
Gu, Dasa
Shrivastava, Manish
Liu, Ying
Walters, Stacy
Pfister, Gabriele
Jin, Jiming
Shilling, John E.
Warneke, Carsten
TI Sensitivity of biogenic volatile organic compounds to land surface
parameterizations and vegetation distributions in California
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID COMMUNITY CLIMATE MODEL; FAIR-WEATHER CBL; ISOPRENE EMISSIONS;
MONOTERPENE EMISSIONS; HYDROCARBON EMISSIONS; UNITED-STATES; SOA
FORMATION; AEROSOLS; OZONE; ATMOSPHERE
AB Current climate models still have large uncertainties in estimating biogenic trace gases, which can significantly affect atmospheric chemistry and secondary aerosol formation that ultimately influences air quality and aerosol radiative forcing. These uncertainties result from many factors, including uncertainties in land surface processes and specification of vegetation types, both of which can affect the simulated near-surface fluxes of biogenic volatile organic compounds (BVOCs). In this study, the latest version of Model of Emissions of Gases and Aerosols from Nature (MEGAN v2.1) is coupled within the land surface scheme CLM4 (Community Land Model version 4.0) in the Weather Research and Forecasting model with chemistry (WRF-Chem). In this implementation, MEGAN v2.1 shares a consistent vegetation map with CLM4 for estimating BVOC emissions. This is unlike MEGAN v2.0 in the public version of WRF-Chem that uses a stand-alone vegetation map that differs from what is used by land surface schemes. This improved modeling framework is used to investigate the impact of two land surface schemes, CLM4 and Noah, on BVOCs and examine the sensitivity of BVOCs to vegetation distributions in California. The measurements collected during the Carbonaceous Aerosol and Radiative Effects Study (CARES) and the California Nexus of Air Quality and Climate Experiment (CalNex) conducted in June of 2010 provided an opportunity to evaluate the simulated BVOCs. Sensitivity experiments show that land surface schemes do influence the simulated BVOCs, but the impact is much smaller than that of vegetation distributions. This study indicates that more effort is needed to obtain the most appropriate and accurate land cover data sets for climate and air quality models in terms of simulating BVOCs, oxidant chemistry and, consequently, secondary organic aerosol formation.
C1 [Zhao, Chun; Huang, Maoyi; Fast, Jerome D.; Berg, Larry K.; Qian, Yun; Shrivastava, Manish; Liu, Ying; Shilling, John E.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Guenther, Alex; Gu, Dasa] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA USA.
[Walters, Stacy; Pfister, Gabriele] Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA.
[Jin, Jiming] Utah State Univ, Dept Watershed Sci & Plants, Dept Soils, Logan, UT 84322 USA.
[Jin, Jiming] Utah State Univ, Dept Climate, Logan, UT 84322 USA.
[Warneke, Carsten] Natl Ocean & Atmospher Adm, Earth Syst Res Lab, Boulder, CO USA.
[Warneke, Carsten] Univ Colorado, CIRES, Boulder, CO 80309 USA.
RP Zhao, C (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
EM chun.zhao@pnnl.gov
RI qian, yun/E-1845-2011; Gu, Dasa/I-1005-2014; Shilling, John/L-6998-2015;
Huang, Maoyi/I-8599-2012; Manager, CSD Publications/B-2789-2015
OI Gu, Dasa/0000-0002-5663-1675; Shilling, John/0000-0002-3728-0195; Huang,
Maoyi/0000-0001-9154-9485;
FU U.S. Department of Energy, Office of Science, Office of Biological and
Environmental Research's Atmospheric Systems Research (ASR) Program;
Atmospheric Radiation Measurement (ARM) Climate Research Facility; US
NOAA's Atmospheric Composition and Climate Program [NA11OAR4310160];
Office of Science of the U.S. Department of Energy; DOE by Battelle
Memorial Institute [DE-AC05-76RL01830]; National Science Foundation
FX This work was supported by the U.S. Department of Energy, Office of
Science, Office of Biological and Environmental Research's Atmospheric
Systems Research (ASR) Program and Atmospheric Radiation Measurement
(ARM) Climate Research Facility. A portion of this research was
supported by the US NOAA's Atmospheric Composition and Climate Program
(NA11OAR4310160). The simulations required for this work were performed
on the National Energy Research Scientific Computing Center, supported
by the Office of Science of the U.S. Department of Energy. We
acknowledge Tom Jobson and Bentram Knighton for their measurements
during the CARES campaign. The Pacific Northwest National Laboratory is
operated for DOE by Battelle Memorial Institute under contract
DE-AC05-76RL01830. NCAR is operated by the University Corporation of
Atmospheric Research under sponsorship of the National Science
Foundation.
NR 70
TC 2
Z9 2
U1 7
U2 18
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 2016
VL 9
IS 5
BP 1959
EP 1976
DI 10.5194/gmd-9-1959-2016
PG 18
WC Geosciences, Multidisciplinary
SC Geology
GA DN3BR
UT WOS:000376937800014
ER
PT B
AU Omitaomu, OA
AF Omitaomu, Olufemi A.
BE Badiru, AB
Racz, L
TI Energy systems measurements
SO HANDBOOK OF MEASUREMENTS: BENCHMARKS FOR SYSTEMS ACCURACY AND PRECISION
SE Industrial Innovation Series
LA English
DT Article; Book Chapter
ID SUPPORT VECTOR REGRESSION; HILBERT SPECTRUM; PARAMETERS; SELECTION;
NOISE
C1 [Omitaomu, Olufemi A.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN USA.
RP Omitaomu, OA (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN USA.
NR 48
TC 0
Z9 0
U1 0
U2 0
PU CRC PRESS-TAYLOR & FRANCIS GROUP
PI BOCA RATON
PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA
BN 978-1-4822-2523-5; 978-1-4822-2522-8
J9 IND INNOV SER
PY 2016
VL 37
BP 151
EP 179
PG 29
WC Management; Operations Research & Management Science
SC Business & Economics; Operations Research & Management Science
GA BE7NG
UT WOS:000375598500008
ER
PT J
AU Chen, W
Pohls, JH
Hautier, G
Broberg, D
Bajaj, S
Aydemir, U
Gibbs, ZM
Zhu, H
Asta, M
Snyder, GJ
Meredig, B
White, MA
Persson, K
Jain, A
AF Chen, Wei
Pohls, Jan-Hendrik
Hautier, Geoffroy
Broberg, Danny
Bajaj, Saurabh
Aydemir, Umut
Gibbs, Zachary M.
Zhu, Hong
Asta, Mark
Snyder, G. Jeffrey
Meredig, Bryce
White, Mary Anne
Persson, Kristin
Jain, Anubhav
TI Understanding thermoelectric properties from high-throughput
calculations: trends, insights, and comparisons with experiment
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID BULK THERMOELECTRICS; THERMAL-CONDUCTIVITY; EFFECTIVE-MASS; PERFORMANCE;
CRYSTAL; TRANSPORT; DESIGN; FIGURE; OXIDES; MERIT
AB We present an overview and preliminary analysis of computed thermoelectric properties for more than 48 000 inorganic compounds from the Materials Project (MP). We compare our calculations with available experimental data to evaluate the accuracy of different approximations in predicting thermoelectric properties. We observe fair agreement between experiment and computation for the maximum Seebeck coefficient determined with MP band structures and the BoltzTraP code under a constant relaxation time approximation (R-2 = 0.79). We additionally find that scissoring the band gap to the experimental value improves the agreement. We find that power factors calculated with a constant and universal relaxation time approximation show much poorer agreement with experiment (R-2 = 0.33). We test two minimum thermal conductivity models (Clarke and Cahill-Pohl), finding that both these models reproduce measured values fairly accurately (R-2 = 0.82) using parameters obtained from computation. Additionally, we analyze this data set to gain broad insights into the effects of chemistry, crystal structure, and electronic structure on thermoelectric properties. For example, our computations indicate that oxide band structures tend to produce lower power factors than those of sulfides, selenides, and tellurides, even under the same doping and relaxation time constraints. We also list families of compound