FN Thomson Reuters Web of Science™
VR 1.0
PT J
AU Ibragimov, NH
Ibragimov, RN
Galiakberova, LR
AF Ibragimov, N. H.
Ibragimov, R. N.
Galiakberova, L. R.
TI Symmetries and Conservation Laws of a Spectral Nonlinear Model for
Atmospheric Baroclinic Jets
SO MATHEMATICAL MODELLING OF NATURAL PHENOMENA
LA English
DT Article
DE 76U05; 35Q30; 35Q35; 35Q86
ID SPHERICAL-SHELL; EQUATIONS; FLOWS; WAVE
AB In this paper, we shall obtain the symmetries of the mathematical model describing spontaneous relaxation of eastward jets into a meandering state and use these symmetries for constructing the conservation laws. The basic eastward jet is a spectral parameter of the model, which is in geostrophic equilibrium with the basic density structure and which guarantees the existence of nontrivial conservation laws.
C1 [Ibragimov, N. H.; Galiakberova, L. R.] Ufa State Aviat Tech Univ, Lab Grp Anal Math Models Nat & Engn Sci, Ufa 450000, Russia.
[Ibragimov, N. H.] Blekinge Inst Technol, Ctr Math Modeling Lie Grp Anal CeMMLiGA, SE-37179 Karlskrona, Sweden.
[Ibragimov, R. N.] Univ Texas Brownsville, Dept Math, Brownsville, TX 78520 USA.
[Ibragimov, R. N.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Ibragimov, RN (reprint author), Blekinge Inst Technol, Ctr Math Modeling Lie Grp Anal CeMMLiGA, SE-37179 Karlskrona, Sweden.
EM ibrranis@gmail.com
FU U.S. Department of Energy's Visiting Faculty Program at Pacific
Northwest national Laboratory; Government of Russian Federation [220,
11.G34.31.0042]
FX The work of RNI on this research was supported in part by an appointment
to the U.S. Department of Energy's Visiting Faculty Program at Pacific
Northwest national Laboratory. NHI and LRG acknowledge the financial
support of the Government of Russian Federation through Resolution No.
220, Agreement No. 11.G34.31.0042.
NR 24
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U1 2
U2 2
PU EDP SCIENCES S A
PI LES ULIS CEDEX A
PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A,
FRANCE
SN 0973-5348
EI 1760-6101
J9 MATH MODEL NAT PHENO
JI Math. Model. Nat. Phenom.
PY 2014
VL 9
IS 5
BP 111
EP 118
DI 10.1051/mmnp/20149507
PG 8
WC Mathematical & Computational Biology; Mathematics, Interdisciplinary
Applications; Multidisciplinary Sciences
SC Mathematical & Computational Biology; Mathematics; Science & Technology
- Other Topics
GA AQ3ZW
UT WOS:000342733000007
ER
PT J
AU Ibragimov, RN
Tartakovsky, A
AF Ibragimov, R. N.
Tartakovsky, A.
TI Spectral Analysis of the Efficiency of Vertical Mixing in the Deep Ocean
due to Interaction of Tidal Currents with a Ridge Running down a
Continental Slope
SO MATHEMATICAL MODELLING OF NATURAL PHENOMENA
LA English
DT Article
DE internal waves; ocean mixing; effects of rotation; flows over topography
ID STRATIFIED FLOW; INTERNAL WAVES; LEE WAVES; TOPOGRAPHY; GENERATION;
CONVERSION; BOUNDARY; TIDES; DRAG
AB Efficiency of mixing, resulting from the reflection of an internal wave field imposed on the oscillatory background flow with a three-dimensional bottom topography, is investigated using a linear approximation. The radiating wave field is associated with the spectrum of the linear model, which consists of those mode numbers n and slope values alpha, for which the solution represents the internal waves of frequencies w = nw(0) radiating upwrad of the topography, where w(0) is the fundamental frequency at which internal waves are generated at the topography. The effects of the bottom topography and the earth's rotation on the spectrum is analyzed analytically and numerically in the vicinity of the critical slope
alpha(c)(n,theta)= arcsin (n(2)w(0)(2) - f(2)/N-2 - f(2))(1/2),
which is a slope with the same angle to the horizontal as the internal wave characteristic. In this notation, theta is latitude, f is the Coriolis parameter and N is the buoyancy frequency, which is assumed to be a constant, which corresponds to the uniform stratification.
C1 [Ibragimov, R. N.; Tartakovsky, A.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Tartakovsky, A.] Univ S Florida, Sch Geosci, Dept Math & Stat, Tampa, FL USA.
[Ibragimov, R. N.] GE Global Res, Appl Stat Lab, Niskayuna, NY 12309 USA.
RP Ibragimov, RN (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM ibrranis@gmail.com
FU U.S. Department of Energy's Visiting Faculty Program; Office of Advance
Scientific Computational Research of the US Department of Energy
FX This research was supported in part by an appointment to the U.S.
Department of Energy's Visiting Faculty Program.; This project has also
been partially supported by the Office of Advance Scientific
Computational Research of the US Department of Energy.
NR 45
TC 1
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U1 0
U2 1
PU EDP SCIENCES S A
PI LES ULIS CEDEX A
PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A,
FRANCE
SN 0973-5348
EI 1760-6101
J9 MATH MODEL NAT PHENO
JI Math. Model. Nat. Phenom.
PY 2014
VL 9
IS 5
BP 119
EP 137
DI 10.1051/mmnp/20149508
PG 19
WC Mathematical & Computational Biology; Mathematics, Interdisciplinary
Applications; Multidisciplinary Sciences
SC Mathematical & Computational Biology; Mathematics; Science & Technology
- Other Topics
GA AQ3ZW
UT WOS:000342733000008
ER
PT S
AU Buric, M
Mullen, J
Chorpening, B
Woodruff, S
AF Buric, M.
Mullen, J.
Chorpening, B.
Woodruff, S.
BE George, T
Islam, MS
Dutta, AK
TI Industrial Raman gas sensing for real-time system control
SO MICRO- AND NANOTECHNOLOGY SENSORS, SYSTEMS, AND APPLICATIONS VI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Micro- and Nanotechnology Sensors, Systems, and
Applications VI
CY MAY 05-09, 2014
CL Baltimore, MD
SP SPIE
DE Raman spectroscopy; gas monitoring; online analysis; process control
AB Opportunities exist to improve on-line process control in energy applications with a fast, non-destructive measurement of gas composition. Here, we demonstrate a Raman sensing system which is capable of reporting the concentrations of numerous species simultaneously with sub-percent accuracy and sampling times below one-second for process control applications in energy or chemical production. The sensor is based upon a hollow-core capillary waveguide with a 300 micron bore with reflective thin-film metal and dielectric linings. The effect of using such a waveguide in a Raman process is to integrate Raman photons along the length of the sample-filled waveguide, thus permitting the acquisition of very large Raman signals for low-density gases in a short time. The resultant integrated Raman signals can then be used for quick and accurate analysis of a gaseous mixture. The sensor is currently being tested for energy applications such as coal gasification, turbine control, well-head monitoring for exploration or production, and non-conventional gas utilization. In conjunction with an ongoing commercialization effort, the researchers have recently completed two prototype instruments suitable for hazardous area operation and testing. Here, we report pre-commercialization testing of those field prototypes for control applications in gasification or similar processes. Results will be discussed with respect to accuracy, calibration requirements, gas sampling techniques, and possible control strategies of industrial significance.
C1 [Buric, M.; Mullen, J.; Chorpening, B.; Woodruff, S.] Natl Energy Technol Lab, Morgantown, WV 26507 USA.
RP Buric, M (reprint author), Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA.
EM Michael.buric@netl.doe.gov
NR 12
TC 4
Z9 4
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 978-1-62841-020-4
J9 PROC SPIE
PY 2014
VL 9083
AR 90830U
DI 10.1117/12.2051241
PG 15
WC Nanoscience & Nanotechnology; Optics; Physics, Applied
SC Science & Technology - Other Topics; Optics; Physics
GA BB2VW
UT WOS:000342426300018
ER
PT S
AU Moody, NA
Yamaguchi, H
Gupta, G
Mohite, AD
AF Moody, N. A.
Yamaguchi, H.
Gupta, G.
Mohite, A. D.
BE George, T
Islam, MS
Dutta, AK
TI Graphene shield-enhancement of photosensitive surfaces and devices
SO MICRO- AND NANOTECHNOLOGY SENSORS, SYSTEMS, AND APPLICATIONS VI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Micro- and Nanotechnology Sensors, Systems, and
Applications VI
CY MAY 05-09, 2014
CL Baltimore, MD
SP SPIE
DE graphene; photocathode; photoemission; ultrabarrier; lifetime extension
ID FREE-ELECTRON LASERS; LARGE-AREA; HIGH-BRIGHTNESS; LAYER GRAPHENE;
FILMS; OXIDE; TRANSPARENT; CONDUCTIVITY; SHEETS
AB It has been argued that the isolation of monolayer graphene is among the most important discoveries in the last half century. Graphene has led to new thinking about how to address persistent challenges faced by traditional material systems. A long-standing problem faced by the particle accelerator community is that of limited lifetime of electron sources. These sources launch the electron beam which is bunched and accelerated to high energies for many different applications, ranging from next generation user facilities for discovery science to directed energy systems for defense and environmental needs. Addressing limited lifetime of electron sources is a complicated problem, but we have made progress toward developing a methodology to use multiple graphene layers as a monolayer ruggedizing shield which does not appreciably disrupt photoemission but does provide a barrier isolation which could increase cathode lifetime. We present key results to date which enable graphene to function as a monolayer shield for sensitive photocathode films.
C1 [Moody, N. A.] Los Alamos Natl Lab, AOT Div, Accelerators & Electrodynam AOT AE, Mail Stop H851,POB 1663, Los Alamos, NM 87545 USA.
[Yamaguchi, H.; Gupta, G.; Mohite, A. D.] Los Alamos Natl Lab, AOT Div, Mat Synth & Integrated Devices, MPA Div, Los Alamos, NM 87545 USA.
RP Moody, NA (reprint author), Los Alamos Natl Lab, AOT Div, Accelerators & Electrodynam AOT AE, Mail Stop H851,POB 1663, Los Alamos, NM 87545 USA.
EM nmoody@lanl.gov
FU Department of Energy's Laboratory Directed Research and Development
(LDRD) at Los Alamos National Laboratory (LANL)
FX The authors gratefully acknowledge funding support from Department of
Energy's Laboratory Directed Research and Development (LDRD) at Los
Alamos National Laboratory (LANL).
NR 41
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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 978-1-62841-020-4
J9 PROC SPIE
PY 2014
VL 9083
AR UNSP 908333
DI 10.1117/12.2052963
PG 9
WC Nanoscience & Nanotechnology; Optics; Physics, Applied
SC Science & Technology - Other Topics; Optics; Physics
GA BB2VW
UT WOS:000342426300070
ER
PT S
AU Rahman, A
Black, CT
AF Rahman, A.
Black, C. T.
BE George, T
Islam, MS
Dutta, AK
TI Block Copolymer Self Assembly for Design and Vapor Phase Synthesis of
One-Dimensional Nanostructured Materials
SO MICRO- AND NANOTECHNOLOGY SENSORS, SYSTEMS, AND APPLICATIONS VI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Micro- and Nanotechnology Sensors, Systems, and
Applications VI
CY MAY 05-09, 2014
CL Baltimore, MD
SP SPIE
DE block copolymer; self assembly; oblique angle deposition; reflectance;
hydrophobicity; nanowire; vapor phase synthesis
ID LOW REFRACTIVE-INDEX; THIN-FILMS; LITHOGRAPHY; SURFACES; GROWTH; ARRAYS;
DEPOSITION; SILICON; NANOFABRICATION; TEMPLATES
AB Block copolymer thin films provide a robust method for generating regular, uniform patterns with sub-100 nanometer length scales over arbitrarily large areas. A significant advantage of such block copolymer-based patterning is its ease of integration with all other aspects of traditional thin-film processing, including plasma-based etching and metallization. Such process compatibility ensures a host of application opportunities in designing material properties through control of their nanostructure. Here, we describe our use of block copolymer self assembly for design and vapor phase synthesis of quasi one-dimensional nanostructured materials made of metals, semiconductors, and insulators. The precise control of surface texture afforded by block copolymer-based patterning can influence macroscopic materials properties such as optical reflectance and hydrophobicity.
C1 [Rahman, A.; Black, C. T.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
RP Rahman, A (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
NR 43
TC 0
Z9 0
U1 1
U2 8
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-020-4
J9 PROC SPIE
PY 2014
VL 9083
AR 90831Y
DI 10.1117/12.2050775
PG 8
WC Nanoscience & Nanotechnology; Optics; Physics, Applied
SC Science & Technology - Other Topics; Optics; Physics
GA BB2VW
UT WOS:000342426300049
ER
PT S
AU Graff, DL
Love, SP
AF Graff, David L.
Love, Steven P.
BE Druy, MA
Crocombe, RA
TI Adaptive hyperspectral imaging with a MEMS-based full-frame programmable
spectral filter
SO NEXT-GENERATION SPECTROSCOPIC TECHNOLOGIES VII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Next-Generation Spectroscopic Technologies VII
CY MAY 05-06, 2014
CL Baltimore, MD
SP SPIE
DE hyperspectral imaging; matched filter imaging; tunable spectral filter;
micro-mirror array; DLP; DMD
ID SPECTROMETER; MICROSCOPY
AB Rapidly programmable spatial light modulation devices based on MEMS technology have opened an exciting new arena in spectral imaging: rapidly reprogrammable, high spectral resolution, multi-band spectral filters that enable hyperspectral processing directly in the optical hardware of an imaging sensor. Implemented as a multiplexing spectral selector, a digital micro-mirror device (DMD) can independently choose or reject dozens or hundreds of spectral bands and present them simultaneously to an imaging sensor, forming a complete 2D image. The result is a high-speed, high-resolution, programmable spectral filter that gives the user complete control over the spectral content of the image formed at the sensor. This technology enables a wide variety of rapidly reprogrammable operational capabilities within the same sensor including broadband, color, false color, multispectral, hyperspectral and target specific, matched filter imaging. Of particular interest is the ability to implement target-specific hyperspectral matched filters directly into the optical train of the sensor, producing an image highlighting a target within a spectrally cluttered scene in real time without further processing. By performing the hyperspectral image processing at the sensor, such a system can operate with high performance, greatly reduced data volume, and at a fraction of the cost of traditional push broom hyperspectral instruments. Examples of color, false color and target-specific matched-filter images recorded with our visible-spectrum prototype will be displayed, and extensions to other spectral regions will be discussed.
C1 [Graff, David L.; Love, Steven P.] Los Alamos Natl Lab, Space & Remote Sensing Grp ISR 2, Los Alamos, NM 87545 USA.
RP Graff, DL (reprint author), Los Alamos Natl Lab, Space & Remote Sensing Grp ISR 2, Mail Stop B244, Los Alamos, NM 87545 USA.
OI Love, Steven/0000-0003-0588-9622
NR 20
TC 0
Z9 0
U1 0
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-038-9
J9 PROC SPIE
PY 2014
VL 9101
AR 910111
DI 10.1117/12.2051436
PG 9
WC Optics; Physics, Applied
SC Optics; Physics
GA BB2ZP
UT WOS:000342581800033
ER
PT S
AU Stephens, EV
AF Stephens, E. V.
BE Chrysanthou, A
Sun, X
TI Mechanical strength of self-piercing riveting (SPR)
SO SELF-PIERCING RIVETING: PROPERTIES, PROCESSING AND APPLICATIONS
SE Woodhead Publishing Series in Welding and Other Joining Technologies
LA English
DT Article; Book Chapter
DE self-piercing riveting (SPR); SPR of dissimilar metals; SPR joint
strength characterization; static failure modes of SPR joints; SPR;
adhesive joining
AB Experimental results on static strength evaluations of various SPR populations are presented to compare and contrast the static strength and failure modes of SPR joints joining aluminum alloys and SPR joints joining aluminum and steel, including the test methodologies implemented. The purpose of this chapter is to quantify the static strength levels of these SPR joints under different loading conditions and to provide quantitative measures on the joint strength.
C1 Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Stephens, EV (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
EM elizabeth.stephens@pnnl.gov
NR 5
TC 0
Z9 0
U1 0
U2 0
PU WOODHEAD PUBL LTD
PI CAMBRIDGE
PA ABINGTON HALL ABINGTON, CAMBRIDGE CB1 6AH, CAMBS, ENGLAND
SN 2052-5532
BN 978-0-85709-884-9; 978-1-84569-535-4
J9 WOODH PUBL SER WELD
PY 2014
IS 82
BP 11
EP 32
DI 10.1533/9780857098849.1.11
PG 22
WC Engineering, Mechanical; Metallurgy & Metallurgical Engineering
SC Engineering; Metallurgy & Metallurgical Engineering
GA BB2YB
UT WOS:000342564300002
ER
PT S
AU Sun, X
AF Sun, X.
BE Chrysanthou, A
Sun, X
TI Dynamic strength evaluation/crashworthiness of self-piercing riveted
joints
SO SELF-PIERCING RIVETING: PROPERTIES, PROCESSING AND APPLICATIONS
SE Woodhead Publishing Series in Welding and Other Joining Technologies
LA English
DT Article; Book Chapter
DE dynamic strength; high rate; strain rate; fixture design; energy
absorption
ID STATIC LOADING CONDITIONS; FAILURE LOADS; SPOT WELDS; SHEAR; BEHAVIOR
AB This chapter discusses the dynamic SPR strength evaluation procedures and the measured dynamic strength data for various joint populations of self-piercing rivets (SPR) joining similar and dissimilar metals. A state-of-the-art review of the current practice for conducting dynamic tensile/ compressive strength tests in different strain rate regimes is presented, and the generic issues associated with dynamic strength testing are addressed. The joint strength testing procedures and fixture designs used in the current study are then described, and the typical load versus displacement curves under different loading configurations are presented. Detailed static and dynamic strength data and the associated energy absorption levels for all the samples in the joint populations are also included.
C1 Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Sun, X (reprint author), Pacific NW Natl Lab, K6-08 POB 999, Richland, WA 99352 USA.
EM xin.sun@pnnl.gov
NR 23
TC 0
Z9 0
U1 0
U2 0
PU WOODHEAD PUBL LTD
PI CAMBRIDGE
PA ABINGTON HALL ABINGTON, CAMBRIDGE CB1 6AH, CAMBS, ENGLAND
SN 2052-5532
BN 978-0-85709-884-9; 978-1-84569-535-4
J9 WOODH PUBL SER WELD
PY 2014
IS 82
BP 56
EP 78
DI 10.1533/9780857098849.1.56
PG 23
WC Engineering, Mechanical; Metallurgy & Metallurgical Engineering
SC Engineering; Metallurgy & Metallurgical Engineering
GA BB2YB
UT WOS:000342564300005
ER
PT S
AU Sun, X
AF Sun, X.
BE Chrysanthou, A
Sun, X
TI Optimization of the strength of self-piercing rivets (SPRs)
SO SELF-PIERCING RIVETING: PROPERTIES, PROCESSING AND APPLICATIONS
SE Woodhead Publishing Series in Welding and Other Joining Technologies
LA English
DT Article; Book Chapter
DE self-piercing rivets; rivet strength; analytical rivet strength
estimation; rivet strength optimization; dissimilar materials joints
AB This chapter discusses strength optimization and failure mode prediction of self-piercing rivets (SPRs) for automotive applications. The limit load-based strength estimator is used to estimate the static strength of an SPR under a cross tension loading configuration. Failure modes associated with the estimated failure strength are also predicted. Experimental strength and failure mode observations are used to validate the model. It is shown that the strength of an SPR joint depends on the material and gauge combinations, rivet design, die design and riveting direction. The rivet strength estimator is then used to optimize the rivet strength by comparing the measured rivet strength and failure mode with the predicted ones. Two illustrative examples are used in which rivet strength is optimized by changing rivet design and riveting direction from the original manufacturing parameters.
C1 Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Sun, X (reprint author), Pacific NW Natl Lab, K6-08 POB 999, Richland, WA 99352 USA.
EM xin.sun@pnnl.gov
NR 15
TC 0
Z9 0
U1 0
U2 0
PU WOODHEAD PUBL LTD
PI CAMBRIDGE
PA ABINGTON HALL ABINGTON, CAMBRIDGE CB1 6AH, CAMBS, ENGLAND
SN 2052-5532
BN 978-0-85709-884-9; 978-1-84569-535-4
J9 WOODH PUBL SER WELD
PY 2014
IS 82
BP 149
EP 170
DI 10.1533/9780857098849.2.149
PG 22
WC Engineering, Mechanical; Metallurgy & Metallurgical Engineering
SC Engineering; Metallurgy & Metallurgical Engineering
GA BB2YB
UT WOS:000342564300009
ER
PT S
AU Cease, H
Alvarez, M
Flaugher, B
Montes, J
AF Cease, H.
Alvarez, M.
Flaugher, B.
Montes, J.
BE Balachandran, U
Amm, K
Cooley, L
Hartwig, KT
Osofsky, M
Pamidi, S
Reed, R
Stautner, W
Sumption, M
Umezawa, O
Walsh, R
Weber, H
TI Cryogenic Coefficient of Thermal Expansion Measurements of Type 440 and
630 Stainless Steel
SO ADVANCES IN CRYOGENIC ENGINEERING, VOL 60
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE Cryogenic; Thermal Expansion; Martensitic Stainless Steel
AB The Dark Energy Camera is now installed on the Blanco 4m telescope at the Cerro Tololo Inter-American Observatory in Chile. The camera is cooled to 170K using a closed loop two-phase liquid nitrogen system. A submerged centrifugal pump is used to circulate the liquid from the base of the telescope to the camera in the prime focus cage. As part of the pump maintenance schedule, the rotor shaft bearings are periodically replaced. Common bearing and shaft materials are type 440 and 630 (17-4 PH) stainless steel. The coefficient of thermal expansion of the materials used is needed to predict the shaft and bearing housing dimensional changes at the 77K pump operating temperature. The thermal expansion from room temperature to 77K of type 440 and 630 stainless steel is presented. Measurements are performed using the ASTM E228 standard with a quartz push-rod dilatometer test stand. Aluminum 6061-T6 is used to calibrate the test stand.
C1 [Cease, H.; Alvarez, M.; Flaugher, B.; Montes, J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Cease, H (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
NR 3
TC 0
Z9 0
U1 1
U2 6
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1204-0
J9 AIP CONF PROC
PY 2014
VL 1574
BP 54
EP 58
DI 10.1063/1.4860604
PG 5
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB2UG
UT WOS:000342342400008
ER
PT S
AU McRae, DM
Walsh, RP
Dalder, ENC
Litherland, PS
Trosen, M
Kuhlmann, DJ
AF McRae, D. M.
Walsh, R. P.
Dalder, E. N. C.
Litherland, P. S.
Trosen, M.
Kuhlmann, D. J.
BE Balachandran, U
Amm, K
Cooley, L
Hartwig, KT
Osofsky, M
Pamidi, S
Reed, R
Stautner, W
Sumption, M
Umezawa, O
Walsh, R
Weber, H
TI Fatigue and Fracture Properties of a Super-Austenitic Stainless Steel at
295 K and 4 K
SO ADVANCES IN CRYOGENIC ENGINEERING, VOL 60
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE ITER; Central Solenoid; High Strength Alloys; Mechanical Properties;
Superconducting Magnets
AB The tie plate structure for the ITER Central Solenoid (CS) is required to have high strength and good fatigue and fracture behavior at both room temperature and 4 K. A super-austenitic stainless steel - UNS 20910, commonly referred to by its trade name, Nitronic 50 (N50) - has been chosen for consideration to fulfill this task, due to its good room temperature and cryogenic yield strengths and weldability. Although N50 is often considered for cryogenic applications, little published data exists at 4 K. Here, a full series of tests have been conducted at 295 K and 4 K, and static tensile properties of four forgings of commercially-available N50 are reported along with fatigue life, fatigue crack growth rate (FCGR), and fracture toughness data. This study makes a significant contribution to the cryogenic mechanical properties database of high strength, paramagnetic alloys with potential for superconducting magnet applications.
C1 [McRae, D. M.; Walsh, R. P.] Natl High Magnet Field Lab, Tallahassee, FL 32310 USA.
[Dalder, E. N. C.] Dalder Mat Consulting Inc, Richmond, CA USA.
[Litherland, P. S.] ORNL, US ITER Project Off, Oak Ridge, TN 37831 USA.
[Trosen, M.] Major Tool Machine, Indianapolis, IN 46218 USA.
[Kuhlmann, D. J.] LLC, Mfg Knowhow, Knowhow, OH USA.
RP McRae, DM (reprint author), Natl High Magnet Field Lab, Tallahassee, FL 32310 USA.
FU US-ITER Office at Oak Ridge National laboratory; NHMFL, Florida State
University and the National Science Foundation
FX The funding for this research was provided by US-ITER Office at Oak
Ridge National laboratory. We are grateful to the NHMFL, Florida State
University and the National Science Foundation for infrastructure and
commitment of support.
NR 7
TC 0
Z9 0
U1 2
U2 14
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1204-0
J9 AIP CONF PROC
PY 2014
VL 1574
BP 59
EP 66
DI 10.1063/1.4860605
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB2UG
UT WOS:000342342400009
ER
PT S
AU Toplosky, VJ
Han, K
Walsh, RP
Swenson, CA
AF Toplosky, V. J.
Han, K.
Walsh, R. P.
Swenson, C. A.
BE Balachandran, U
Amm, K
Cooley, L
Hartwig, KT
Osofsky, M
Pamidi, S
Reed, R
Stautner, W
Sumption, M
Umezawa, O
Walsh, R
Weber, H
TI Cryogenic Properties Of Dispersion Strengthened Copper For High Magnetic
Fields
SO ADVANCES IN CRYOGENIC ENGINEERING, VOL 60
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE copper alloys; mechanical testing; cryogenic
ID T NONDESTRUCTIVE MAGNET; PULSE MAGNET; COMPOSITE CONDUCTORS; INSERT
COIL; CU-AG; NHMFL
AB Cold deformed copper matrix composite conductors, developed for use in the 100 tesla multi-shot pulsed magnet at the National High Magnetic Field Laboratory (NHMFL), have been characterized. The conductors are alumina strengthened copper which is fabricated by cold drawing that introduces high dislocation densities and high internal stresses. Both alumina particles and high density of dislocations provide us with high tensile strength and fatigue endurance. The conductors also have high electrical conductivities because alumina has limited solubility in Cu and dislocations have little scattering effect on conduction electrons. Such a combination of high strength and high conductivity makes it an excellent candidate over other resistive magnet materials. Thus, characterization is carried out by tensile testing and fully reversible fatigue testing. In tensile tests, the material exceeds the design criteria parameters. In the fatigue tests, both the load and displacement were measured and used to control the amplitude of the tests to simulate the various loading conditions in the pulsed magnet which is operated at 77 K in a non-destructive mode. In order to properly simulate the pulsed magnet operation, strain-controlled tests were more suitable than load controlled tests. For the dispersion strengthened coppers, the strengthening mechanism of the aluminum oxide provided better tensile and fatigue properties over convention copper.
C1 [Toplosky, V. J.; Han, K.; Walsh, R. P.] Natl High Magnet Field Lab, Tallahassee, FL 32310 USA.
[Swenson, C. A.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Toplosky, VJ (reprint author), Natl High Magnet Field Lab, Tallahassee, FL 32310 USA.
FU NHMFL; National Science foundation; LANL
FX This work is based upon research conducted at the NHMFL which is
supported to the National Science foundation. The authors are eternally
grateful to James Sims of LANL for his support, knowledge and guidance
during the 100 T materials test program.
NR 15
TC 0
Z9 0
U1 1
U2 8
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1204-0
J9 AIP CONF PROC
PY 2014
VL 1574
BP 67
EP 74
DI 10.1063/1.4860606
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB2UG
UT WOS:000342342400010
ER
PT S
AU Reed, RP
Madhukar, M
Thaicharoenporn, B
Martovetsky, NN
AF Reed, R. P.
Madhukar, M.
Thaicharoenporn, B.
Martovetsky, N. N.
BE Balachandran, U
Amm, K
Cooley, L
Hartwig, KT
Osofsky, M
Pamidi, S
Reed, R
Stautner, W
Sumption, M
Umezawa, O
Walsh, R
Weber, H
TI Low-Temperature Mechanical Properties of Glass/Epoxy Laminates
SO ADVANCES IN CRYOGENIC ENGINEERING, VOL 60
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE Glass/epoxy laminates; short-beam shear test; flexural strength;
interlaminar shear strength; flexural modulus; E-glass fabrics;
electrical insulation
AB Selected mechanical properties of glass/epoxy laminate candidates for use in the electrical turn and ground insulation of the ITER Central solenoid (CS) modules were measured. Short-beam shear and flexural tests have been conducted on various E-glass cloth weaves/epoxy laminates at 295 and 77 K. Types of glass weave include 1581, 7500, 7781, and 38050, which represent both satin and plain weaves. The epoxy, planned for use for vacuum-pressure impregnation of the CS module, consists of an anhydride-cured bisphenol F resin system. Inter-laminar shear strength, flexural elastic modulus, and flexural strength have been measured. The data indicate that these properties are dependent on the volume percent of glass. Short-beam shear strength was measured as a function of the span-to-thickness ratio for all laminates at 77 K. Comprehensive fractography was conducted to obtain the failure mode of each short-beam shear test sample.
C1 [Reed, R. P.] Cryogen Mat Inc, Boulder, CO 80305 USA.
[Madhukar, M.; Thaicharoenporn, B.] Magnet Dev Lab, Knoxville, TN 37996 USA.
[Martovetsky, N. N.] US ITER Project, Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA.
RP Reed, RP (reprint author), Cryogen Mat Inc, Boulder, CO 80305 USA.
RI Madhukar, Madhu/P-4365-2015
NR 6
TC 0
Z9 0
U1 2
U2 8
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1204-0
J9 AIP CONF PROC
PY 2014
VL 1574
BP 109
EP 116
DI 10.1063/1.4860612
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB2UG
UT WOS:000342342400016
ER
PT S
AU Bossert, R
Krave, S
Ambrosio, G
Andreev, N
Chlachidze, G
Nobrega, A
Novitski, I
Yu, M
Zlobin, AV
AF Bossert, R.
Krave, S.
Ambrosio, G.
Andreev, N.
Chlachidze, G.
Nobrega, A.
Novitski, I.
Yu, M.
Zlobin, A. V.
BE Balachandran, U
Amm, K
Cooley, L
Hartwig, KT
Osofsky, M
Pamidi, S
Reed, R
Stautner, W
Sumption, M
Umezawa, O
Walsh, R
Weber, H
TI Recent Progress and Tests of Radiation Resistant Impregnation Materials
for Nb3Sn Coils
SO ADVANCES IN CRYOGENIC ENGINEERING, VOL 60
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE Potting; matrimid; cyanate ester; epoxy; insulation
AB Fermilab is collaborating with Lawrence Berkeley National Laboratory (LBNL) and Brookhaven National Laboratory (BNL) (US-LARP collaboration) to develop a large-aperture Nb3Sn superconducting quadrupole for the Large Hadron Collider (LHC) luminosity upgrade. An important component of this work is the development of materials that are sufficiently radiation resistant for use in critical areas of the upgrade. This paper describes recent progress in characterization of materials, including the baseline CTD101K epoxy, cyanate ester blends, and Matrimid 5292, a bismaleimide-based system. Structural properties of "ten stacks" of cable impregnated with these materials are tested at room and cryogenic temperatures and compared to the baseline CT-101K. Experience with potting 1 and 2 meter long coils with Matrimid 5292 are described. Test results of a single 1-m coil impregnated with Matrimid 5292 are reported and compared to similar coils impregnated with the traditional epoxy.
C1 [Bossert, R.; Krave, S.; Ambrosio, G.; Andreev, N.; Chlachidze, G.; Nobrega, A.; Novitski, I.; Yu, M.; Zlobin, A. V.] Fermilab Natl Accelerator Lab, Tech Div, Batavia, IL 60510 USA.
RP Bossert, R (reprint author), Fermilab Natl Accelerator Lab, Tech Div, POB 500, Batavia, IL 60510 USA.
NR 16
TC 0
Z9 0
U1 0
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1204-0
J9 AIP CONF PROC
PY 2014
VL 1574
BP 132
EP 139
DI 10.1063/1.4860615
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB2UG
UT WOS:000342342400019
ER
PT S
AU Cheng, DW
Dietderich, DR
Godeke, A
Hafalia, AR
Marchevsky, M
Prestemon, SO
Roy, PK
Sabbi, G
Swenson, CA
AF Cheng, D. W.
Dietderich, D. R.
Godeke, A.
Hafalia, A. R.
Marchevsky, M.
Prestemon, S. O.
Roy, P. K.
Sabbi, G.
Swenson, C. A.
BE Balachandran, U
Amm, K
Cooley, L
Hartwig, KT
Osofsky, M
Pamidi, S
Reed, R
Stautner, W
Sumption, M
Umezawa, O
Walsh, R
Weber, H
TI Characterization of Insulating Coatings for Wind-and-React Coil
Fabrication
SO ADVANCES IN CRYOGENIC ENGINEERING, VOL 60
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE surface coatings; testing; adhesion; voltage breakdown
AB Electrical insulation breakdown between conductor and coil parts and structures is a limiting factor in the performance of high-field magnets. We have evaluated various insulation coatings for possible application in both Nb3Sn and Bi-2212 coil fabrication. Such coatings must be robust to maintain structural integrity and provide adequate voltage standoff after the wind-and-react coil fabrication process. Such processes are characterized by reaction temperatures of 650 degrees C in an inert atmosphere for Nb3Sn and 890 degrees C in a pure oxygen atmosphere for Bi-2212, and down to cryogenic temperatures when coils are in service. We present a method of testing standardized samples and report the performance characteristics of oxide layers produced (or applied) by plasma-spray, surface conversion, and "paintable" coatings in common areas of voltage breakdown in coil parts. We also address material compatibility and durability during hightemperature heat treatment and cryogenic shock. Suitable coatings selected in the testing process will be instrumental in improving the performance of future wind-and-react coils.
C1 [Cheng, D. W.; Dietderich, D. R.; Godeke, A.; Hafalia, A. R.; Marchevsky, M.; Prestemon, S. O.; Roy, P. K.; Sabbi, G.; Swenson, C. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Cheng, DW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
NR 5
TC 0
Z9 0
U1 0
U2 7
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1204-0
J9 AIP CONF PROC
PY 2014
VL 1574
BP 178
EP 185
DI 10.1063/1.4860621
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB2UG
UT WOS:000342342400025
ER
PT J
AU Shah, YT
Gardner, TH
AF Shah, Yatish T.
Gardner, Todd H.
TI Dry Reforming of Hydrocarbon Feedstocks
SO CATALYSIS REVIEWS-SCIENCE AND ENGINEERING
LA English
DT Review
DE Carbon dioxide; Methane; Hydrogen production; Hydrocarbon; Dry
reforming; Catalyst; Syngas; GHG; Nickel; Solid oxide; Metal carbide;
Deactivation
ID MOLYBDENUM CARBIDE CATALYSTS; SUPPORTED RHODIUM CATALYSTS; NI-BASED
CATALYSTS; CARBON-DIOXIDE; SYNTHESIS GAS; PARTIAL OXIDATION;
SUPERCRITICAL WATER; NICKEL-CATALYSTS; HYDROGEN-PRODUCTION;
NI/ALPHA-AL2O3 CATALYST
AB Developments in catalyst technology for the dry reforming of hydrocarbon feedstocks are reviewed for methane, higher hydrocarbons and alcohols. Thermodynamics, mechanisms and the kinetics of dry reforming are also reviewed. The literature on Ni catalysts, bi-metallic Ni catalysts and the role of promoters on Ni catalysts is critically evaluated. The use of noble and transitional metal catalysts for dry reforming is discussed. The application of solid oxide and metal carbide catalysts to dry reforming is also evaluated. Finally, various mechanisms for catalyst deactivation are assessed. This review also examines the various process related issues associated with dry reforming such as its application and heat optimization. Novel approaches such as supercritical dry reforming and microwave assisted dry reforming are briefly expanded upon.
C1 [Shah, Yatish T.] Norfolk State Univ, Dept Engn, Norfolk, VA 23505 USA.
[Gardner, Todd H.] US DOE, Natl Energy Technol Lab, Morgantown, WV USA.
RP Shah, YT (reprint author), Norfolk State Univ, Dept Engn, Norfolk, VA 23505 USA.
EM YTshah@nsu.edu
NR 161
TC 16
Z9 16
U1 7
U2 62
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0161-4940
EI 1520-5703
J9 CATAL REV
JI Catal. Rev.-Sci. Eng.
PY 2014
VL 56
IS 4
BP 476
EP 536
DI 10.1080/01614940.2014.946848
PG 61
WC Chemistry, Physical
SC Chemistry
GA AP7VF
UT WOS:000342284800003
ER
PT S
AU Blake, TA
Johnson, TJ
Tonkyn, RG
Forland, BM
Myers, TL
Brauer, CS
Su, YF
AF Blake, Thomas A.
Johnson, Timothy J.
Tonkyn, Russell G.
Forland, Brenda M.
Myers, Tanya L.
Brauer, Carolyn S.
Su, Yin-Fong
BE Fountain, AW
TI Quantitative Total and Diffuse Reflectance Laboratory Measurements for
Remote, Standoff, and Point Sensing
SO CHEMICAL, BIOLOGICAL, RADIOLOGICAL, NUCLEAR, AND EXPLOSIVES (CBRNE)
SENSING XV
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT SPIE Defense, Security + Sensing Symposium / 15th Annual Meeting on
Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE)
Sensing
CY MAY 05-09, 2014
CL Baltimore, MD
SP SPIE
DE Integrating sphere; infrared; total reflectance; diffuse reflectance;
Spectralon; Infragold
AB Methods for making total and diffuse directional/hemispherical reflectance measurements in the shortwave to longwave infrared using an integrating sphere are described. The sphere is a commercial, off-the-shelf optical device with its sample port at the bottom, which is essential for examining powdered samples without using a cover glass. The reflectance spectra of recently-developed National Institute of Standards and Technology (NIST, USA) infrared reflectance standards have been measured using the sphere. Reflectance spectra of other materials such as Spectralon and Infragold were also measured. The relative systematic error for the total reflectance measurements is estimated to be on the order of 3%, and random measurement error for multiple samples of each material is on the order of 0.5%.
C1 [Blake, Thomas A.; Johnson, Timothy J.; Tonkyn, Russell G.; Forland, Brenda M.; Myers, Tanya L.; Brauer, Carolyn S.; Su, Yin-Fong] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Blake, TA (reprint author), Pacific NW Natl Lab, POB 999,MSIN K3-61, Richland, WA 99352 USA.
EM ta.blake@pnnl.gov
NR 11
TC 5
Z9 5
U1 1
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-010-5
J9 PROC SPIE
PY 2014
VL 9073
AR 907303
DI 10.1117/12.2054116
PG 10
WC Optics; Physics, Applied
SC Optics; Physics
GA BB2WC
UT WOS:000342428900003
ER
PT S
AU Islam, M
Xi, WZ
Feng, DJY
Choa, FS
AF Islam, Mohammad
Xi, Wenze
Feng, David J. Y.
Choa, Fow-Sen
BE Fountain, AW
TI The Electrical Response of Plants under Radiation
SO CHEMICAL, BIOLOGICAL, RADIOLOGICAL, NUCLEAR, AND EXPLOSIVES (CBRNE)
SENSING XV
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT SPIE Defense, Security + Sensing Symposium / 15th Annual Meeting on
Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE)
Sensing
CY MAY 05-09, 2014
CL Baltimore, MD
SP SPIE
DE Action potential (AP); System potential (SP); UV; Neutron radiation;
Gamma; X-ray
ID ACTION-POTENTIALS; SAP FLOW; TREE; WAVE
AB Plant electricity was discovered about 100 years ago. Until recent two decades, researchers started to notice that the electricity play a key role for plant's communications and defense. Recently, we have demonstrated a wound-generated electrical signal, up to a few hundred mV, can be produced and propagate through the whole plant. As plants defense reactions, the wound signal will activate genes and induce subsequent molecular biology responses. In this study, we further investigate the electrical response of plants when they are under nuclear radiation. We discovered nuclear radiation could produce internal voltage gradient in living trees, resulting in measureable voltage and current signals. The results was measured by attaching one of electrodes to a lower branch, close to the roots and attaching the other one to an upper branch. During irradiating, trees were set up at 1-meter away from a NIST-certified (AmBe)-Am-241 neutron source (30 mCi). It will produce a neutron field of about 13 mrem/h, corresponding to an actual absorbed dose of similar to 1 mrad/h by assuming the tissue is primarily water content. Once the radioactive source is pulled up from an underground shielded container, the system potential starts to drop and in about 6-7 hours it drops down to -220mV, eventually stabilizing at around -250mV after 10 hours of radiation. We have further observed plant electricity changes caused by x-ray, gamma-ray, and beta-ray radiations. After the sources were removed, the terminal voltage recovered and eventually returned to the original value.
C1 [Islam, Mohammad; Choa, Fow-Sen] Univ Maryland Baltimore Cty, Dept Comp Sci & Elect Engn, Baltimore, MD 21250 USA.
[Xi, Wenze] Thomas Jefferson Natl Lab, Newport News, VA 23606 USA.
[Feng, David J. Y.] Natl Univ Kaohsiung, Dept Elect Engn, Kaohsiung 811, Taiwan.
RP Islam, M (reprint author), Univ Maryland Baltimore Cty, Dept Comp Sci & Elect Engn, Baltimore, MD 21250 USA.
EM choa@umbc.edu
NR 32
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 978-1-62841-010-5
J9 PROC SPIE
PY 2014
VL 9073
AR UNSP 90731E
DI 10.1117/12.2050831
PG 10
WC Optics; Physics, Applied
SC Optics; Physics
GA BB2WC
UT WOS:000342428900036
ER
PT B
AU Puskas, JE
Chiang, K
Barkakaty, B
AF Puskas, J. E.
Chiang, K.
Barkakaty, B.
BE Kohjiya, S
Ikeda, Y
TI Natural rubber (NR) biosynthesis: perspectives from polymer chemistry
SO CHEMISTRY, MANUFACTURE AND APPLICATIONS OF NATURAL RUBBER
SE Woodhead Publishing in Materials
LA English
DT Article; Book Chapter
DE Natural rubber (NR); cis-1,4-polyisoprene; synthetic polyisoprenes; NR
biosynthesis; biomimetic polymerization; NR in health care
ID FARNESYL DIPHOSPHATE SYNTHASE; CHAIN-GROWTH POLYCONDENSATION;
PARTHENIUM-ARGENTATUM GRAY; UNDECAPRENYL PYROPHOSPHATE SYNTHETASE;
HOMOGENEOUS ANIONIC POLYMERIZATION; LIVING RADICAL POLYMERIZATION;
GEL-PERMEATION CHROMATOGRAPHY; TREE HEVEA-BRASILIENSIS; FRESH BOTTOM
FRACTION; HEALTH-CARE-SYSTEM
AB Natural rubber is an important strategic raw material for manufacturing a wide variety of industrial products. There are at least 2,500 different latex-producing plant species; however, only Hevea brasiliensis (the Brazilian rubber tree) is a commercial source. The chemical structure of natural rubber is cis-1,4-polyisoprene, but the exact structure of the head and end groups remains unknown. Since synthetic cis-1,4-polyisoprenes cannot match the superior properties of natural rubber, understanding the chemistry behind the biosynthetic process is key to finding a possible replacement. T his chapter summarizes our current understandings from the perspective of a polymer scientist by comparing synthetic polyisoprenes to natural rubber. The chapter also highlights 'biomimetic' polymerization, research towards a synthetic match of natural rubber and the role of natural rubber in health care.
C1 [Puskas, J. E.] Univ Akron, Dept Chem & Biomol Engn, AERC, Akron, OH 44325 USA.
[Puskas, J. E.] Univ Akron, Dept Polymer Sci, AERC, Akron, OH 44325 USA.
[Puskas, J. E.] Univ Akron, Dept Integrated Biosci & Chem, AERC, Akron, OH 44325 USA.
[Chiang, K.] Univ Akron, Dept Polymer Sci, Akron, OH 44325 USA.
[Barkakaty, B.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Barkakaty, B.] Univ Akron, Akron, OH 44325 USA.
RP Puskas, JE (reprint author), Univ Akron, Dept Chem & Biomol Engn, AERC, 264 Wolf Ledges,Rm 209, Akron, OH 44325 USA.
EM jpuskas@uakron.edu
OI Barkakaty, Balaka/0000-0001-5128-3731
NR 176
TC 1
Z9 1
U1 2
U2 11
PU WOODHEAD PUBL LTD
PI CAMBRIDGE
PA ABINGTON HALL ABINGTON, CAMBRIDGE CB1 6AH, CAMBS, ENGLAND
BN 978-0-85709-691-3; 978-0-85709-683-8
J9 WOODHEAD PUBL MATER
PY 2014
BP 30
EP 67
DI 10.1533/9780857096913.1.30
PG 38
WC Engineering, Chemical; Materials Science, Multidisciplinary; Polymer
Science
SC Engineering; Materials Science; Polymer Science
GA BB2PA
UT WOS:000341993700003
ER
PT J
AU Chang, KYS
von Lilienfeld, OA
AF Chang, K. Y. Samuel
von Lilienfeld, O. Anatole
TI Quantum Mechanical Treatment of Variable Molecular Composition: From
'Alchemical' Changes of State Functions to Rational Compound Design
SO CHIMIA
LA English
DT Article
DE Alchemical coupling; Computational chemistry; Density functional theory;
Potential energy surface; Theorectical chemistry
ID GENERALIZED GRADIENT APPROXIMATION; SPACE GAUSSIAN PSEUDOPOTENTIALS;
FREE-ENERGY CALCULATIONS; MANY-ELECTRON SYSTEMS; COMPUTATIONAL ALCHEMY;
ADIABATIC-CONNECTION; EXCHANGE-CORRELATION; PERTURBATION-THEORY;
LINEAR-RESPONSE; ATOMS
AB 'Alchemical' interpolation paths, i.e. coupling systems along fictitious paths without realistic correspondence, are frequently used within materials and molecular modeling simulation protocols for the estimation of changes in state functions such as free energies. We discuss alchemical changes in the context of quantum chemistry, and present illustrative numerical results for the changes of HOMO eigenvalue of the He atom due to alchemical teleportation the simultaneous annihilation and creation of nuclear charges at different locations. To demonstrate the predictive power of alchemical first order derivatives (Hellmann-Feynman) the covalent bond potential of hydrogen fluoride and hydrogen chloride is investigated, as well as the hydrogen bond in the water water and water hydrogen fluoride dimer, respectively. Based on converged electron densities for one configuration, the versatility of alchemical derivatives is exemplified for the screening of entire binding potentials with reasonable accuracy. Finally, we discuss new constraints for the identification of non-linear coupling potentials for which the energy's Hellmann-Feynman derivative will yield accurate predictions.
C1 [Chang, K. Y. Samuel; von Lilienfeld, O. Anatole] Univ Basel, Dept Chem, NCCR MARVEL, Inst Phys Chem, CH-4056 Basel, Switzerland.
[von Lilienfeld, O. Anatole] Argonne Natl Lab, Argonne Leadership Comp Facil, Argonne, IL 60439 USA.
RP von Lilienfeld, OA (reprint author), Univ Basel, Dept Chem, NCCR MARVEL, Inst Phys Chem, CH-4056 Basel, Switzerland.
EM anatole.vonlilienfeld@unibas.ch
RI von Lilienfeld, O. Anatole/D-8529-2011
FU Swiss National Science foundation [PPOOP2_138932]; Office of Science of
the U.S. DOE [DE-AC02-06CH11357]
FX Both authors acknowledge funding from the Swiss National Science
foundation (No. PPOOP2_138932). This research used resources of the
Argonne Leadership Computing Facility at Argonne National Laboratory,
which is supported by the Office of Science of the U.S. DOE under
contract DE-AC02-06CH11357.
NR 82
TC 2
Z9 2
U1 2
U2 14
PU SWISS CHEMICAL SOC
PI BERN
PA SCHWARZTORSTRASSE 9, CH-3007 BERN, SWITZERLAND
SN 0009-4293
J9 CHIMIA
JI Chimia
PY 2014
VL 68
IS 9
BP 602
EP 608
DI 10.2533/chimia.2014.602
PG 7
WC Chemistry, Multidisciplinary
SC Chemistry
GA AQ0MI
UT WOS:000342477000004
PM 25437778
ER
PT S
AU Capote, R
Trkov, A
Sin, M
Herman, MW
Soukhovitski, ES
AF Capote, R.
Trkov, A.
Sin, M.
Herman, M. W.
Soukhovitski, E. Sh.
BE Carlson, BV
Deppman, A
TI Elastic and inelastic scattering of neutrons on U-238 nucleus
SO CNR*13 - FOURTH INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND
RELATED TOPICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 4th International Workshop on Compound-Nuclear Reactions and Related
Topics (CNR)
CY OCT 07-11, 2013
CL Sao Paulo, BRAZIL
ID HIGHER VIBRATIONAL STATES; HAUSER-FESHBACH THEORY; CROSS-SECTIONS;
TH-232; MODEL; FORMALISM; LIBRARY
AB Advanced modelling of neutron induced reactions on the U-238 nucleus is aimed at improving our knowledge of neutron scattering. Capture and fission channels are well constrained by available experimental data and neutron standard evaluation. A focus of this contribution is on elastic and inelastic scattering cross sections. The employed nuclear reaction model includes - a new rotational-vibrational dispersive optical model potential coupling the low-lying collective bands of vibrational character observed in even-even actinides; - the Engelbrecht-Weidenmuller transformation allowing for inclusion of compound-direct interference effects; - and a multi-humped fission barrier with absorption in the secondary well described within the optical model for fission. Impact of the advanced modelling on elastic and inelastic scattering cross sections including angular distributions and emission spectra is assessed both by comparison with selected microscopic experimental data and integral criticality benchmarks including measured reaction rates (e. g. JEMIMA, FLAPTOP and BIG TEN). Benchmark calculations provided feedback to improve the reaction modelling. Improvement of existing libraries will be discussed.
C1 [Capote, R.; Trkov, A.] IAEA, NAPC Nucl Data Sect, POB 100, A-1400 Vienna, Austria.
[Trkov, A.] Jozef Stefan Inst, Ljubljana 1000, Slovenia.
[Sin, M.] Univ Bucharest, Dept Nucl Phys, Bucharest 077125, Romania.
[Herman, M. W.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
[Soukhovitski, E. Sh.] Joint Inst Energy Nucl Res, Minsk 220109, Byelarus.
RP Capote, R (reprint author), IAEA, NAPC Nucl Data Sect, POB 100, A-1400 Vienna, Austria.
EM r.capotenoy@iaea.org
RI Capote Noy, Roberto/M-1245-2014
OI Capote Noy, Roberto/0000-0002-1799-3438
NR 34
TC 2
Z9 2
U1 0
U2 7
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2014
VL 69
AR UNSP 00008
DI 10.1051/epjconf/20136900008
PG 16
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA BB2UW
UT WOS:000342384200008
ER
PT S
AU Herman, M
Nobre, GPA
Palumbo, A
Dietrich, FS
Brown, D
Hoblit, S
AF Herman, M.
Nobre, G. P. A.
Palumbo, A.
Dietrich, F. S.
Brown, D.
Hoblit, S.
BE Carlson, BV
Deppman, A
TI Coupled channels optical model potential for rare earth nuclei
SO CNR*13 - FOURTH INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND
RELATED TOPICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 4th International Workshop on Compound-Nuclear Reactions and Related
Topics (CNR)
CY OCT 07-11, 2013
CL Sao Paulo, BRAZIL
ID EQUILIBRIUM STATISTICAL-MODEL; ENERGY
AB The global spherical optical model by Koning and Delaroche is generalized to enable its use in coupled-channel calculations on well deformed nuclei in the rare-earth region. The generalization consists in adding the coupling of the ground state rotational band, deforming the potential by introducing appropriate quadrupole and hexadecupole deformations and correcting the optical model potential radius to preserve the volume integral of the spherical optical potential. We choose isotopes of three rare-earth elements (W, Ho, Gd), which are known to be nearly perfect rotors, to perform a consistency test of our conjecture on integrated cross sections as well as on angular distributions for elastic and inelastic neutron scattering. The only additional input are experimentally determined deformations, which we employ without any adjustments. The results are clearly superior compared to the spherical optical model calculations with dramatic improvement at low incident energies.
C1 [Herman, M.; Nobre, G. P. A.; Palumbo, A.; Brown, D.; Hoblit, S.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
[Dietrich, F. S.] P Box 30423, Walnut Creek, CA 94598 USA.
RP Herman, M (reprint author), Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
EM mwherman@bnl.gov; gnobre@bnl.gov
FU Office of Nuclear Physics, Office of Science of the U.S. Department of
Energy [DE-AC02-98CH10886]; Brookhaven Science Associates, LLC
FX The work at Brookhaven National Laboratory was sponsored by the Office
of Nuclear Physics, Office of Science of the U.S. Department of Energy
under Contract No. DE-AC02-98CH10886 with Brookhaven Science Associates,
LLC.
NR 25
TC 1
Z9 1
U1 0
U2 2
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2014
VL 69
AR UNSP 00007
DI 10.1051/epjconf/20136900007
PG 8
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA BB2UW
UT WOS:000342384200007
ER
PT S
AU Kroll, J
Baramsai, B
Mitchell, GE
Agvaanluvsan, U
Becvar, F
Bredeweg, TA
Chyzh, A
Couture, A
Dashdorj, D
Haight, RC
Jandel, M
Keksis, AL
Krticka, M
O'Donnell, JM
Parker, W
Rundberg, RS
Ullmann, JL
Valenta, S
Vieira, DJ
Walker, C
Wu, CY
AF Kroll, J.
Baramsai, B.
Mitchell, G. E.
Agvaanluvsan, U.
Becvar, F.
Bredeweg, T. A.
Chyzh, A.
Couture, A.
Dashdorj, D.
Haight, R. C.
Jandel, M.
Keksis, A. L.
Krticka, M.
O'Donnell, J. M.
Parker, W.
Rundberg, R. S.
Ullmann, J. L.
Valenta, S.
Vieira, D. J.
Walker, C.
Wu, C. Y.
BE Carlson, BV
Deppman, A
TI Photon strength functions in Gd isotopes studied from radiative capture
of resonance neutrons
SO CNR*13 - FOURTH INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND
RELATED TOPICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 4th International Workshop on Compound-Nuclear Reactions and Related
Topics (CNR)
CY OCT 07-11, 2013
CL Sao Paulo, BRAZIL
ID INTERACTING BOSON MODEL; ODD-MASS NUCLEI; SCISSORS MODE;
ELECTRON-SCATTERING; DIPOLE STRENGTH; DEFORMED-NUCLEI; EXCITATION MODE;
DANCE ARRAY; DEFORMATION; SPECTROSCOPY
AB The experimental spectra of gamma rays following radiative neutron capture on isolated resonances of stable Gd-152,Gd-154-158 targets were measured by the DANCE calorimeter installed at the Los Alamos Neutron Scattering Center in New Mexico, USA. These spectra were analyzed within the extreme statistical model to get new information on the photon strength functions. Special emphasis was put on study of the scissors vibrational mode present in these isotopes. Our data show that the scissors-mode resonances are built not only on the ground states but also on the excited levels of all studied Gd isotopes. The scissors mode strength observed in Gd-157,Gd-159 products is significantly higher than in neighboring even-even nuclei Gd-156,Gd-158. Such a difference indicates the existence of an odd-even effect in the scissors mode strength. Moreover, there exists no universal parameter-free model of the electric dipole photon strength function describing the experimental data in all of the Gd isotopes studied. The results for the scissors mode are compared with the (gamma,gamma') data for the ground-state transitions and with the results from He-3-induced reactions.
C1 [Kroll, J.; Becvar, F.; Krticka, M.; Valenta, S.] Charles Univ Prague, CZ-18000 Prague 8, Czech Republic.
[Baramsai, B.; Mitchell, G. E.; Chyzh, A.; Walker, C.] North Carolina State Univ, Raleigh, NC 27695 USA.
[Baramsai, B.; Mitchell, G. E.; Chyzh, A.; Walker, C.] Triangle Univ Nucl Lab, Durham, NC 27708 USA.
[Agvaanluvsan, U.; Dashdorj, D.] MonAme Sci Res Ctr, Ulaanbaatar, Mongol Peo Rep.
[Bredeweg, T. A.; Couture, A.; Haight, R. C.; Jandel, M.; Keksis, A. L.; O'Donnell, J. M.; Rundberg, R. S.; Ullmann, J. L.; Vieira, D. J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Parker, W.; Wu, C. Y.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
RP Kroll, J (reprint author), Charles Univ Prague, CZ-18000 Prague 8, Czech Republic.
EM kroll@ipnp.troja.mff.cuni.cz
FU U. S. Department of Energy [DE- NA0001784, DE- FG02- 97- ER41042]; U. S.
Department of Energy; Los Alamos National Laboratory; Los Alamos
National Security, LLC [DE- AC52- 06NA25396]; LLNL [DE- AC52-
07NA27344]; MSM [0021620859]; Ministry of Education of the Czech
Republic [13- 07117S]; Czech Science Foundation
FX This work was supported in part by the U. S. Department of Energy Grants
No. DE- NA0001784 and No. DE- FG02- 97- ER41042. This work benefited
from the use of the LANSCE accelerator and was performed under the
auspices of the U. S. Department of Energy at Los Alamos National
Laboratory by the Los Alamos National Security, LLC under contract No.
DE- AC52- 06NA25396 and LLNL contract No. DE- AC52- 07NA27344. It was
also supported by the research plan MSM 0021620859 of the Ministry of
Education of the Czech Republic, and grant No. 13- 07117S of the Czech
Science Foundation.
NR 56
TC 0
Z9 0
U1 2
U2 6
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2014
VL 69
AR UNSP 00018
DI 10.1051/epjconf/20136900018
PG 17
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA BB2UW
UT WOS:000342384200018
ER
PT S
AU Paris, MW
Brown, LS
Hale, GM
Hayes-Sterbenz, AC
Jungman, G
Kawano, T
Fuller, GM
Grohs, EB
Kunieda, S
AF Paris, Mark W.
Brown, Lowell S.
Hale, Gerald M.
Hayes-Sterbenz, Anna C.
Jungman, Gerard
Kawano, Toshihiko
Fuller, George M.
Grohs, Evan B.
Kunieda, Satoshi
BE Carlson, BV
Deppman, A
TI Toward a self-consistent and unitary reaction network for bigbang
nucleosynthesis
SO CNR*13 - FOURTH INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND
RELATED TOPICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 4th International Workshop on Compound-Nuclear Reactions and Related
Topics (CNR)
CY OCT 07-11, 2013
CL Sao Paulo, BRAZIL
ID NUCLEAR-REACTIONS; CROSS-SECTIONS; ENERGIES; LITHIUM
AB Unitarity, the mathematical expression of the conservation of probability in multichannel reactions, is an essential ingredient in the development of accurate nuclear reaction networks appropriate for nucleosynthesis in a variety of environments. We describe our ongoing program to develop a "unitary reaction network" for the big-bang nucleosynthesis environment and look at an example of the need and power of unitary parametrizations of nuclear scattering and reaction data. Recent attention has been focused on the possible role of the B-9 compound nuclear system in the resonant destruction of Li-7 during primordial nucleosynthesis. We have studied reactions in the 9B compound system with a multichannel, two-body unitary R-matrix code (EDA) using the known elastic and reaction data, in a four-channel treatment. The data include elastic Li-6(He-3, He-3) 6Li differential cross sections from 0.7 to 2.0 MeV, integrated reaction cross sections for energies from 0.7 to 5.0 MeV for Li-6(He-3, p)Be-8* and from 0.4 to 5.0 MeV for the Li-6(He-3, d)Be-7 reaction. Capture data have been added to the previous analysis with integrated cross section measurements from 0.7 to 0.825 MeV for Li-6(He-3,gamma)B-9. The resulting resonance parameters are compared with tabulated values from TUNL Nuclear Data Group analyses. Previously unidentified resonances are noted and the relevance of this analysis and a unitary reaction network for big-bang nucleosynthesis are emphasized.
C1 [Paris, Mark W.; Brown, Lowell S.; Hale, Gerald M.; Hayes-Sterbenz, Anna C.; Jungman, Gerard; Kawano, Toshihiko] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[Fuller, George M.; Grohs, Evan B.] Univ Calif, Dept Phys, San Diego, CA 92093 USA.
[Kunieda, Satoshi] Nucl Data Ctr, Japan Atom Energy Agcy, Nakagun, Ibaraki 319, Japan.
RP Paris, MW (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM mparis@lanl.gov
OI Paris, Mark/0000-0003-0471-7896
FU National Nuclear Security Administration of the U. S. Department of
Energy at Los Alamos National Laboratory [DE-AC5206NA25396]; Institute
for Geophysics, Planetary Physics, and Signatures at Los Alamos National
Laboratory under a University Collaborative [257842]; University of
California at San Diego
FX This work was carried out under the auspices of the National Nuclear
Security Administration of the U. S. Department of Energy at Los Alamos
National Laboratory under Contract No. DE-AC5206NA25396 and with support
from the Institute for Geophysics, Planetary Physics, and Signatures at
Los Alamos National Laboratory under a University Collaborative
subcontract #257842 with the University of California at San Diego.
NR 39
TC 1
Z9 1
U1 0
U2 0
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2014
VL 69
AR UNSP 00003
DI 10.1051/epjconf/20136900003
PG 15
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA BB2UW
UT WOS:000342384200003
ER
PT J
AU Krogman, JP
Gallagher, JR
Zhang, G
Hock, AS
Miller, JT
Thomas, CM
AF Krogman, Jeremy P.
Gallagher, James R.
Zhang, Guanghui
Hock, Adam S.
Miller, Jeffrey T.
Thomas, Christine M.
TI Assignment of the oxidation states of Zr and Co in a highly reactive
heterobimetallic Zr/Co complex using X-ray absorption spectroscopy
(XANES)
SO DALTON TRANSACTIONS
LA English
DT Article
ID METAL MULTIPLE BONDS; ACTIVATION; KETYL; APPROXIMATION; REDUCTION;
CATALYSTS; LIGANDS; KETONES; ENERGY
AB The reduced heterobimetallic complex (THF)Zr(MesNP(i)Pr(2))(3)CoN2 (1) has been examined along with a series of structurally similar reference compounds using X-ray absorption near edge structure (XANES) spectroscopy. Complex 1 has been shown to be highly reactive, often via one-electron pathways that might be expected for a d(1) Zr-III complex. However, the presence of two strongly interacting metals in complex 1 renders the assignment of oxidation states ambiguous. Both Zr and Co K-edge XANES spectra reveal that the most accurate description of complex 1 is that of a Zr-IV/Co-I zwitterion. Electronic structure calculations support this assignment.
C1 [Krogman, Jeremy P.; Thomas, Christine M.] Brandeis Univ, Dept Chem, Waltham, MA 02453 USA.
[Gallagher, James R.; Zhang, Guanghui; Hock, Adam S.; Miller, Jeffrey T.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Hock, Adam S.] IIT, Dept Biol & Chem Sci, Chicago, IL 60647 USA.
RP Miller, JT (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM millerjt@anl.gov; thomasc@brandeis.edu
RI Zhang, Guanghui/C-4747-2008; BM, MRCAT/G-7576-2011; Gallagher,
James/E-4896-2014; Hock, Adam/D-7660-2012
OI Zhang, Guanghui/0000-0002-5854-6909; Gallagher,
James/0000-0002-5628-5178; Hock, Adam/0000-0003-1440-1473
FU U.S. Department of Energy [DE-SC0004019]; Sloan Research Fellowship;
U.S. Department of Energy, Office of Basic Energy Sciences, Chemical
Sciences [DE-AC-02-06CH11357, DE-AC02-06CH11357]; Department of Energy;
MRCAT member institutions
FX The authors acknowledge financial support from the U.S. Department of
Energy under Award no. DE-SC0004019 (C.M.T. and J.P.K.). C.M.T. is also
grateful for a 2011 Sloan Research Fellowship. The work at Argonne
National Laboratory was supported by the U.S. Department of Energy,
Office of Basic Energy Sciences, Chemical Sciences under Contract
DE-AC-02-06CH11357. Use of the Advanced Photon Source was supported by
the U.S. Department of Energy, Office of Basic Energy Sciences, under
contract no. DE-AC02-06CH11357. MRCAT operations are supported by the
Department of Energy and the MRCAT member institutions.
NR 39
TC 11
Z9 11
U1 1
U2 21
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 2014
VL 43
IS 37
BP 13852
EP 13857
DI 10.1039/c4dt01534g
PG 6
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA AP4UK
UT WOS:000342074100005
PM 25109663
ER
PT S
AU Zvanut, ME
Willoughby, WR
Sunay, UR
Koleske, DD
Allerman, AA
Wang, K
Araki, T
Nanishi, Y
AF Zvanut, M. E.
Willoughby, W. R.
Sunay, U. R.
Koleske, D. D.
Allerman, A. A.
Wang, Ke
Araki, Tsutomu
Nanishi, Yasushi
BE Cavallini, A
Estreicher, SK
TI The Mg Impurity in Nitride Alloys
SO INTERNATIONAL CONFERENCE ON DEFECTS IN SEMICONDUCTORS 2013
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 27th International Conference on Defects in Semiconductors (ICDS)
CY JUL 21-26, 2013
CL Bologna, ITALY
SP Fraunhofer Inst Solar Energy, Univ Bologna, Dept Phys & Astron, Enrico Fermi Ctr
ID FILMS
AB Although several magnetic resonance studies address the Mg acceptor in GaN, there are few reports on Mg doping in the alloys, where hole production depends strongly on the Al or In content. Our electron paramagnetic resonance (EPR) measurements of the p-type alloys suggest that the Mg impurity retains the axial symmetry, characteristic of a p-type dopant in both alloys; however, In and Al produce additional, different characteristics of the acceptor. In InGaN, the behavior is consistent with a lowering of the acceptor level and increasing hole density as In concentration increases. For AlGaN, the amount of neutral Mg decreases with increasing Al content, which is attributed to different kinetics of hydrogen diffusion thought to occur in samples with higher Al mole fraction.
C1 [Zvanut, M. E.; Willoughby, W. R.; Sunay, U. R.] Univ Alabama Birmingham, Dept Phys, Birmingham, AL 35294 USA.
[Koleske, D. D.; Allerman, A. A.] Sandia Natl Labs, Albuquerque, NM USA.
[Wang, Ke; Araki, Tsutomu; Nanishi, Yasushi] Ritsumeikan Univ, Dept Photon, Shiga, Japan.
[Nanishi, Yasushi] Seoul Natl Univ, Dept Mat Sci & Engn, WCU Program, Seoul, South Korea.
RP Zvanut, ME (reprint author), Univ Alabama Birmingham, Dept Phys, Birmingham, AL 35294 USA.
FU NSF [DMR- 1006163]
FX The work at UAB is supported by the NSF, DMR- 1006163. Sandia National
Laboratories is a multi- program laboratory managed and operated by
Sandia Corporation, a wholly owned subsidiary of Lockheed Martin
Company, for the U. S. Department of Energy's National Nuclear Security
Administration under contract DE- AC0494AL85000.
NR 9
TC 0
Z9 0
U1 1
U2 6
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1215-6
J9 AIP CONF PROC
PY 2014
VL 1583
BP 277
EP 281
DI 10.1063/1.4865652
PG 5
WC Engineering, Electrical & Electronic; Physics, Applied
SC Engineering; Physics
GA BB2UE
UT WOS:000342321600060
ER
PT S
AU Anderson, B
Venus, G
Ott, D
Divliansky, I
Dawson, JW
Drachenberg, DR
Messerly, MJ
Pax, PH
Tassano, JB
Glebov, L
AF Anderson, Brian
Venus, George
Ott, Daniel
Divliansky, Ivan
Dawson, Jay W.
Drachenberg, Derrek R.
Messerly, Mike J.
Pax, Paul H.
Tassano, John B.
Glebov, Leonid
BE Dubinskii, M
Post, SG
TI Transverse mode selection in laser resonators using volume Bragg
gratings
SO LASER TECHNOLOGY FOR DEFENSE AND SECURITY X
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Laser Technology for Defense and Security X
CY MAY 06-07, 2014
CL Baltimore, MD
SP SPIE
DE Volume Bragg grating; PTR; transverse mode selection; beam quality;
laser resonator
ID FIBER LASERS; POWER
AB Power scaling of high power laser resonators is limited due to several nonlinear effects. Scaling to larger mode areas can offset these effects at the cost of decreased beam quality, limiting the brightness that can be achieved from the multi-mode system. In order to improve the brightness from such multi-mode systems, we present a method of transverse mode selection utilizing volume Bragg gratings (VBGs) as an angular filter, allowing for high beam quality from large mode area laser resonators. An overview of transverse mode selection using VBGs is given, with theoretical models showing the effect of the angular selectivity of transmitting VBGs on the resonator modes. Applications of this ideology to the design of laser resonators, with cavity designs and experimental results presented for three types of multimode solid state lasers: a Nd:YVO4 laser with 1 cm cavity length and 0.8 mm diameter beam with an M-2 of 1.1, a multimode diode with diffraction limited far field divergence in the slow axis, and a ribbon fiber laser with 13 cores showing M-2 improved from 11.3 to 1.5.
C1 [Anderson, Brian; Venus, George; Ott, Daniel; Divliansky, Ivan; Glebov, Leonid] Univ Cent Florida, Coll Opt & Photon, CREOL, POB 162700, Orlando, FL 32816 USA.
[Dawson, Jay W.; Drachenberg, Derrek R.; Messerly, Mike J.; Pax, Paul H.; Tassano, John B.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
RP Anderson, B (reprint author), Univ Cent Florida, Coll Opt & Photon, CREOL, POB 162700, Orlando, FL 32816 USA.
NR 9
TC 1
Z9 1
U1 1
U2 10
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-018-1
J9 PROC SPIE
PY 2014
VL 9081
AR UNSP 90810Y
DI 10.1117/12.2053291
PG 11
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB2TE
UT WOS:000342289500018
ER
PT J
AU Nguyen, VT
Nguyen, PTM
Dang, LX
Mei, DH
Wick, CD
Do, DD
AF Nguyen, Van T.
Nguyen, Phuong T. M.
Dang, Liem X.
Mei, Donghai
Wick, Collin D.
Do, Duong D.
TI A comparative study of the adsorption of water and methanol in zeolite
BEA: a molecular simulation study
SO MOLECULAR SIMULATION
LA English
DT Article
DE molecular simulation of zeolite; water; methanol
ID MONTE-CARLO SIMULATIONS; SILICALITE-1 ZEOLITE; BETA; PHYSISORPTION;
CONDENSATION; ISOTHERMS; DIFFUSION; NANOPORES; SYSTEMS
AB Grand canonical Monte Carlo simulations were carried out to study the equilibrium adsorption concentration of methanol and water in all-silica BEA zeolite and HBEA zeolites with different Si/Al ratios over a wide range of temperatures and loadings. These zeolites have oval-shaped channels with one side longer than the other. Water sorption into the hydrophobic BEA zeolite had a sharp transition with its sorption going from zero to near full capacity over a very small pressure range. Methanol sorption was much more gradual with respect to pressure. With the addition of hydrophilic sites for the HBEA zeolites by decreasing the Si/Al ratio, adsorption at lower pressures increased significantly for water and methanol. At higher loadings, water and methanol adsorption were found to behave in fundamentally different ways. Water structures in the zeolite channels formed hydrogen-bonded chains while maximising contact with the surfaces on the longer edges of the zeolite channels. Methanol molecules, in contrast, formed very few hydrogen bonds between themselves, with their hydroxyl groups primarily binding with surface of the shorter edge of the zeolite channels and their methyl groups located near the middle of the zeolite channels. The addition of hydrophilic groups in the HBEA zeolites strongly influenced positions of the methanol hydroxyl groups at high loadings, but did not have a significant effect on water structure.
C1 [Nguyen, Van T.; Nguyen, Phuong T. M.; Do, Duong D.] Univ Queensland, Sch Chem Engn, Brisbane, Qld 4072, Australia.
[Dang, Liem X.; Mei, Donghai] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
[Wick, Collin D.] Louisiana Tech Univ, Dept Chem, Ruston, LA 71270 USA.
RP Dang, LX (reprint author), Pacific NW Natl Lab, Div Phys Sci, POB 999, Richland, WA 99352 USA.
EM liem.dang@pnnl.gov; donghai.mei@pnnl.gov
RI Mei, Donghai/A-2115-2012; Mei, Donghai/D-3251-2011;
OI Mei, Donghai/0000-0002-0286-4182; Nguyen, Phuong/0000-0002-7163-7370
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences and Biosciences; University of Queensland
Graduate School
FX This work was supported by the U.S. Department of Energy, Office of
Basic Energy Sciences, Division of Chemical Sciences, Geosciences and
Biosciences. Pacific Northwest National Laboratory is a multiprogram
national laboratory operated for DOE by Battelle. Van T. Nguyen and
Phuong T.M. Nguyen gratefully acknowledge support in the form of
International Travel Awards from University of Queensland Graduate
School.
NR 39
TC 2
Z9 2
U1 3
U2 29
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 0892-7022
EI 1029-0435
J9 MOL SIMULAT
JI Mol. Simul.
PY 2014
VL 40
IS 14
BP 1113
EP 1124
DI 10.1080/08927022.2013.848280
PG 12
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AP8HM
UT WOS:000342319900003
ER
PT S
AU Sheen, DM
Hall, TE
AF Sheen, David M.
Hall, Thomas E.
BE Wikner, DA
Luukanen, AR
TI Reconstruction techniques for sparse multi-static linear array microwave
imaging
SO PASSIVE AND ACTIVE MILLIMETER-WAVE IMAGING XVII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Passive and Active Millimeter-Wave Imaging XVII
CY MAY 08-09, 2014
CL Baltimore, MD
SP SPIE
DE Millimeter-wave imaging; microwave imaging; sparse arrays;
concealed-weapon detection
ID CONCEALED WEAPON DETECTION
AB Sequentially-switched linear arrays are an enabling technology for a number of near-field microwave imaging applications. Electronically sequencing along the array axis followed by mechanical scanning along an orthogonal axis allows dense sampling of a two-dimensional aperture in near real-time. The Pacific Northwest National Laboratory (PNNL) has developed this technology for several applications including concealed weapon detection, ground-penetrating radar, and non-destructive inspection and evaluation. These techniques form three-dimensional images by scanning a diverging beam swept frequency transceiver over a two-dimensional aperture and mathematically focusing or reconstructing the data into three-dimensional images. Recently, a sparse multi-static array technology has been developed that reduces the number of antennas required to densely sample the linear array axis of the spatial aperture. This allows a significant reduction in cost and complexity of the linear-array-based imaging system. The sparse array has been specifically designed to be compatible with Fourier-Transform-based image reconstruction techniques; however, there are limitations to the use of these techniques, especially for extreme near-field operation. In the extreme near-field of the array, back-projection techniques have been developed that account for the exact location of each transmitter and receiver in the linear array and the 3-D image location. In this paper, the sparse array technique will be described along with associated Fourier-Transform-based and back-projection-based image reconstruction algorithms. Simulated imaging results are presented that show the effectiveness of the sparse array technique along with the merits and weaknesses of each image reconstruction approach.
C1 [Sheen, David M.; Hall, Thomas E.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Sheen, DM (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA.
EM david.sheen@pnl.gov
NR 11
TC 0
Z9 0
U1 1
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 978-1-62841-015-0
J9 PROC SPIE
PY 2014
VL 9078
AR 90780I
DI 10.1117/12.2053814
PG 12
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB2TF
UT WOS:000342290900014
ER
PT S
AU Doerry, AW
AF Doerry, A. W.
BE Ranney, KI
Doerry, A
TI Backprojection for GMTI processing
SO RADAR SENSOR TECHNOLOGY XVIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Radar Sensor Technology XVIII
CY MAY 05-07, 2014
CL Baltimore, MD
SP SPIE
DE radar; GMTI; backprojection
AB Backprojection has long been applied to SAR image formation. It has equal utility in forming the range-velocity maps for Ground Moving Target Indicator (GMTI) radar processing. In particular, it overcomes the problem of targets migrating through range resolution cells.
C1 Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Doerry, AW (reprint author), Sandia Natl Labs, POB 5800,MS 0519, Albuquerque, NM 87185 USA.
EM awdoerr@sandia.gov
NR 6
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 978-1-62841-014-3
J9 PROC SPIE
PY 2014
VL 9077
AR 90771J
DI 10.1117/12.2048976
PG 10
WC Engineering, Electrical & Electronic; Optics; Telecommunications
SC Engineering; Optics; Telecommunications
GA BB2TB
UT WOS:000342287500052
ER
PT S
AU Doerry, AW
Bickel, DL
Raynal, AM
AF Doerry, A. W.
Bickel, D. L.
Raynal, A. M.
BE Ranney, KI
Doerry, A
TI Some comments on performance requirements for DMTI radar
SO RADAR SENSOR TECHNOLOGY XVIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Radar Sensor Technology XVIII
CY MAY 05-07, 2014
CL Baltimore, MD
SP SPIE
DE radar; GMTI; DMTI; dismounts; requirements
ID WALKING
AB In recent years, a new class of Moving Target Indicator (MTI) radars has emerged, namely those whose mission included detecting moving people, or "dismounts." This new mode is frequently termed Dismount-MTI, or DMTI. Obviously, detecting people is a harder problem than detecting moving vehicles, necessitating different specifications for performance and hardware quality. Herein we discuss some performance requirements typical of successful DMTI radar modes and systems.
C1 [Doerry, A. W.; Bickel, D. L.; Raynal, A. M.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Doerry, AW (reprint author), Sandia Natl Labs, POB 5800,MS 0519, Albuquerque, NM 87185 USA.
EM awdoerr@sandia.gov; dlbicke@sandia.gov; amrayna@sandia.gov
NR 21
TC 0
Z9 0
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-014-3
J9 PROC SPIE
PY 2014
VL 9077
AR 90771I
DI 10.1117/12.2048975
PG 6
WC Engineering, Electrical & Electronic; Optics; Telecommunications
SC Engineering; Optics; Telecommunications
GA BB2TB
UT WOS:000342287500051
ER
PT S
AU Doerry, AW
AF Doerry, A. W.
BE Ranney, KI
Doerry, A
TI Correcting radar range measurements for atmospheric propagation effects
SO RADAR SENSOR TECHNOLOGY XVIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Radar Sensor Technology XVIII
CY MAY 05-07, 2014
CL Baltimore, MD
SP SPIE
DE radar; atmosphere; propagation; range measurement
AB A fundamental relationship that is the foundation for all radar is that a target's range is proportional to an echo delay time. The actual relationship requires knowledge of the velocity of propagation of the signal whose echo delay time is measured. A typical assumption for radar ranging is to use free-space velocity of propagation. However, atmospheric dielectric properties yield a measurably slower velocity of propagation that is a function of temperature, atmospheric pressure, and especially humidity. This results in range measurement errors. A simplified model is developed to estimate the error in range measurements for airborne ground-surveillance radars.
C1 Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Doerry, AW (reprint author), Sandia Natl Labs, POB 5800,MS 0519, Albuquerque, NM 87185 USA.
EM awdoerr@sandia.gov
NR 6
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 978-1-62841-014-3
J9 PROC SPIE
PY 2014
VL 9077
AR 90771K
DI 10.1117/12.2048977
PG 12
WC Engineering, Electrical & Electronic; Optics; Telecommunications
SC Engineering; Optics; Telecommunications
GA BB2TB
UT WOS:000342287500053
ER
PT S
AU Doerry, AW
Andrews, JM
Buskirk, SM
AF Doerry, A. W.
Andrews, J. M.
Buskirk, S. M.
BE Ranney, KI
Doerry, A
TI Digital synthesis of linear-FM chirp waveforms - comments on performance
and enhancements
SO RADAR SENSOR TECHNOLOGY XVIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Radar Sensor Technology XVIII
CY MAY 05-07, 2014
CL Baltimore, MD
SP SPIE
DE radar; pulse; waveform; modulation; chirp
AB The advent of high-speed large gate-count Field Programmable Gate Array (FPGA) components facilitates the implementation of high-performance parametric digital waveform generators for radar applications. One such waveform is the popular Linear-FM chirp. The state-of-the-art allows us to generate high-fidelity precision wideband Linear-FM chirp waveforms with relative ease, and furthermore enhance these waveforms with a number of features including spectral notches, phase equalization, compound pulses, and more. Design equations are presented as well as a number of feature enhancements.
C1 [Doerry, A. W.] Sandia Natl Labs, POB 5800,MS 0519, Albuquerque, NM 87185 USA.
[Andrews, J. M.; Buskirk, S. M.] Gen Atom Aeronaut Syst Inc, San Diego 92127, CA USA.
RP Doerry, AW (reprint author), Sandia Natl Labs, POB 5800,MS 0519, Albuquerque, NM 87185 USA.
EM awdoerr@sandia.gov; John.Andrews@ga-asi.com; Stephen.Buskirk@ga-asi.com
FU U. S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX Sandia National Laboratories is a multi- program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U. S. Department of Energy's National
Nuclear Security Administration under contract DE-AC04-94AL85000.
NR 17
TC 0
Z9 0
U1 0
U2 3
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-014-3
J9 PROC SPIE
PY 2014
VL 9077
AR UNSP 90771L
DI 10.1117/12.2048978
PG 12
WC Engineering, Electrical & Electronic; Optics; Telecommunications
SC Engineering; Optics; Telecommunications
GA BB2TB
UT WOS:000342287500054
ER
PT S
AU Evans, JR
Kruse, FA
Bickel, DL
Dunkel, R
AF Evans, J. R.
Kruse, F. A.
Bickel, D. L.
Dunkel, Ralf
BE Ranney, KI
Doerry, A
TI Determining snow depth using Ku-Band Interferometric Synthetic Aperture
Radar (InSAR)
SO RADAR SENSOR TECHNOLOGY XVIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Radar Sensor Technology XVIII
CY MAY 05-07, 2014
CL Baltimore, MD
SP SPIE
DE snow depth; synthetic aperture radar; SAR; interferometric SAR; Lynx
Ku-band radar
ID SIR-C/X-SAR; FMCW RADAR; LIDAR
AB Monitoring seasonal snow accumulation is important for evaluation of snow models, for short- and long-term snow cover monitoring, and for both military and civilian activities in cold climates. Improved spatial analysis of snow depth and volume can help decision makers plan for future events and mitigate risk. Current snow depth measurement methods fall short of operational requirements. This research explored a new approach for determining snow depth using Ku-band multi-pass (monostatic) airborne interferometric synthetic aperture radar (InSAR). A perturbation method that isolated and compared high frequency terrain phase to elevation was used to generate Snow-Off and Snow-On DEMs from the InSAR phase data. Differencing the InSAR DEMs determined elevation change caused by accumulated snow. Comparison of InSAR snow depths to manual snow depth measurements indicated average InSAR snow depth errors of -8cm, 95cm, -49cm, 176cm, 87cm, and 42cm for six SAR pairs. The source of these errors appears to be mostly related to uncorrected slope and tilt in fitted low frequency planes. Results show that this technique has promise but accuracy could be substantially improved by the use of bistatic SAR systems, which would allow for more stable and measurable interferometric baselines.
C1 [Evans, J. R.] Naval Postgrad Sch, Dept Meteorol, Monterey, CA 93943 USA.
[Kruse, F. A.] Naval Postgrad Sch, Dept Phys, Monterey, CA 93943 USA.
[Kruse, F. A.] Naval Postgrad Sch, Ctr Remote Sensing, Monterey, CA 93943 USA.
[Bickel, D. L.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Dunkel, Ralf] Gen Atom Aeronaut, San Diego 92127, CA USA.
RP Evans, JR (reprint author), Naval Postgrad Sch, Dept Meteorol, Monterey, CA 93943 USA.
EM fakruse@nps.edu
FU U. S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX We would like to thank the flight crews of General Atomic Aeronautical,
who were instrumental obtaining the data used in this research. Without
their support this project literally would not have been able to get off
the ground. Alex Clayton of the Mammoth Mountain Ski Patrol played a
critical role determining the best location to conduct the research,
helping to guide the on- mountain validation, and contributing
extensively to the Snow- On portion of the field campaign. Both Geoffrey
Kruse and Maj. Paul Homan also spent many hours on the mountain digging
holes in the snow and carrying equipment to the survey site. Without
their efforts the research would not have been possible. Sandia National
Laboratories, a cooperative participant in this research, 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 22
TC 0
Z9 0
U1 0
U2 6
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-014-3
J9 PROC SPIE
PY 2014
VL 9077
AR UNSP 90770V
DI 10.1117/12.2049711
PG 16
WC Engineering, Electrical & Electronic; Optics; Telecommunications
SC Engineering; Optics; Telecommunications
GA BB2TB
UT WOS:000342287500028
ER
PT S
AU Moya, MM
Koch, MW
Perkins, DN
West, RD
AF Moya, Mary M.
Koch, Mark W.
Perkins, David N.
West, R. Derek
BE Ranney, KI
Doerry, A
TI Superpixel segmentation using multiple SAR image products
SO RADAR SENSOR TECHNOLOGY XVIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Radar Sensor Technology XVIII
CY MAY 05-07, 2014
CL Baltimore, MD
SP SPIE
DE superpixel; SAR; oversegmentation; Quick-shift; Simple Linear Iterative
Clustering (SLIC); undersegmentation error; boundary recall; radar cross
section; subaperture multilook; coherent change detection
ID CLASSIFICATION; LOCATION; DETECTOR; MODE
AB Sandia National Laboratories produces copious amounts of high-resolution, single-polarization Synthetic Aperture Radar (SAR) imagery, much more than available researchers and analysts can examine. Automating the recognition of terrains and structures in SAR imagery is highly desired. The optical image processing community has shown that superpixel segmentation (SPS) algorithms divide an image into small compact regions of similar intensity. Applying these SPS algorithms to optical images can reduce image complexity, enhance statistical characterization and improve segmentation and categorization of scene objects. SPS algorithms typically require high SNR (signal-to-noise-ratio) images to define segment boundaries accurately. Unfortunately, SAR imagery contains speckle, a product of coherent image formation, which complicates the extraction of superpixel segments and could preclude their use.
Some researchers have developed modified SPS algorithms that discount speckle for application to SAR imagery. We apply two widely-used SPS algorithms to speckle-reduced SAR image products, both single SAR products and combinations of multiple SAR products, which include both single polarization and multi-polarization SAR images. To evaluate the quality of resulting superpixels, we compute research-standard segmentation quality measures on the match between superpixels and hand-labeled ground-truth, as well as statistical characterization of the radar-cross-section within each supemixel. Results of this quality analysis determine the best input/algorithm/parameter set for SAR imagery. Simple Linear Iterative Clustering provides faster computation time, superpixels that conform to scene-relevant structures, direct control of average superpixel size and more uniform supemixel sizes for improved statistical estimation which will facilitate subsequent terrain/structure categorization and segmentation into scene-relevant regions.
C1 [Moya, Mary M.; Koch, Mark W.; Perkins, David N.; West, R. Derek] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Moya, MM (reprint author), Sandia Natl Labs, POB 5800,MS 1163, Albuquerque, NM 87185 USA.
EM mmmoya@sandia.gov
NR 19
TC 0
Z9 0
U1 1
U2 9
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-014-3
J9 PROC SPIE
PY 2014
VL 9077
AR 90770R
DI 10.1117/12.2049840
PG 12
WC Engineering, Electrical & Electronic; Optics; Telecommunications
SC Engineering; Optics; Telecommunications
GA BB2TB
UT WOS:000342287500024
ER
PT S
AU Musgrove, C
Naething, R
Schilling, J
AF Musgrove, Cameron
Naething, Richard
Schilling, John
BE Ranney, KI
Doerry, A
TI Arbitrary Scene Simulation for Synthetic Aperture Radar
SO RADAR SENSOR TECHNOLOGY XVIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Radar Sensor Technology XVIII
CY MAY 05-07, 2014
CL Baltimore, MD
SP SPIE
DE Delay Line; Quadrature Modulation; Synthetic Aperture Radar; Stretch
Processing
AB We propose a new laboratory method for characterizing synthetic aperture radar (SAR) systems through the use of a synthetic scene generator. Flight tests are the only definitive way to characterize the system level performance of airborne synthetic aperture radar systems. However, due to the expense of flights tests it is beneficial to complete as much testing as possible in a laboratory environment before flight testing is performed. There are many existing tests that are employed to measure the performance of various subsystems in a SAR system, find defective hardware, and indicate design problems that need to be mitigated. However, certain issues can only be found on an integrated system, and laboratory testing at a system level is typically confined to characterizing the impulse response (IPR) of a single point target through the use of an optical delay line. While useful, delay line testing requires running a modified version of real-time image formation code as the delay line does not completely mimic a real target. Ideally, system level tests are performed on unmodified code. On modern SAR systems many algorithms are data driven (e.g., autofocus) and require a substantially more sophisticated data model for testing. We desire to create a complete system test by combining an arbitrary number of point targets and clutter patterns to mimic radar responses from a real scene. This capability enables complete testing of radar systems in a laboratory environment according to prescribed terrain/scene characteristics. This paper presents an overview of the system requirements for a synthetic scene generator. The analysis is limited to SAR systems utilizing chirp waveforms and stretch processing. Furthermore, we derive relationships between IF bandwidth, target position, and the phase history model. A technique to properly compensate for motion pulse to pulse is presented. Finally, our concept is demonstrated with simulation data.
C1 [Musgrove, Cameron; Naething, Richard; Schilling, John] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Musgrove, C (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM cmusgro@sandia.gov; rmnaeth@sandia.gov; jeschil@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 978-1-62841-014-3
J9 PROC SPIE
PY 2014
VL 9077
AR 907709
DI 10.1117/12.2049875
PG 10
WC Engineering, Electrical & Electronic; Optics; Telecommunications
SC Engineering; Optics; Telecommunications
GA BB2TB
UT WOS:000342287500008
ER
PT S
AU Raynal, AM
Bickel, DL
Doerry, AW
AF Raynal, Ann Marie
Bickel, Douglas L.
Doerry, Armin W.
BE Ranney, KI
Doerry, A
TI Stationary and Moving Target Shadow Characteristics in Synthetic
Aperture Radar
SO RADAR SENSOR TECHNOLOGY XVIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Radar Sensor Technology XVIII
CY MAY 05-07, 2014
CL Baltimore, MD
SP SPIE
DE SAR; Synthetic Aperture Radar; Shadow Detection; Shadow Tracking
AB An occluded or dark region in synthetic aperture radar (SAR) imagery, known as a shadow, is created when incident radar energy is obstructed by a target with height from illuminating resolution cells immediately behind the target in the ground plane. Shadows depend on the physical dimensions and mobility of a target, platform and radar imaging parameters, and scene clutter. Target shadow dimensions and intensity can be important radar observables in SAR imagery for target detection, location, and tracking or even identification. Stationary target shadows can provide insight as to the physical dimensions of a target, while moving target shadows may show more accurately the location and motion of the target over time versus Doppler energy which may be shifted or smeared outside the scene. However, SAR shadows prove difficult to capture as a target or platform moves, since the quality of the no-return area may quickly be washed-out in a scene over many clutter resolution cells during an aperture. Prior work in the literature has been limited to describing partial shadow degradation effects from platform or target motion of vehicles such as static target shadow tip or interior degradation during an aperture, or shadow degradation due to target motion solely in cross-range. In this paper, we provide a more general formulation of SAR shadow dimensions and intensity for non-specific targets with an arbitrary motion.
C1 [Raynal, Ann Marie; Bickel, Douglas L.; Doerry, Armin W.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Raynal, AM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM amrayna@sandia.gov
NR 13
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 978-1-62841-014-3
J9 PROC SPIE
PY 2014
VL 9077
AR 90771B
DI 10.1117/12.2049729
PG 15
WC Engineering, Electrical & Electronic; Optics; Telecommunications
SC Engineering; Optics; Telecommunications
GA BB2TB
UT WOS:000342287500044
ER
PT S
AU Sen, S
Barhen, J
Glover, CW
AF Sen, Satyabrata
Barhen, Jacob
Glover, Charles W.
BE Ranney, KI
Doerry, A
TI Performance Bounds on Micro-Doppler Estimation and Adaptive Waveform
Design Using OFDM Signals
SO RADAR SENSOR TECHNOLOGY XVIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Radar Sensor Technology XVIII
CY MAY 05-07, 2014
CL Baltimore, MD
SP SPIE
DE OFDM signal; adaptive waveform design; micro-Doppler estimation;
Cramer-Rao Bound
ID SIGNATURE EXTRACTION; RADAR
AB We analyze the performance of a wideband orthogonal frequency division multiplexing (OFDM) signal in estimating the micro-Doppler frequency of a target having multiple rotating scatterers (e.g., rotor blades of a helicopter, propellers of a submarine). The presence of rotating scatterers introduces Doppler frequency modulation in the received signal by generating sidebands about the transmitted frequencies. This is called the micro-Doppler effects. The use of a frequency-diverse OFDM signal in this context enables us to independently analyze the micro-Doppler characteristics with respect to a set of orthogonal subcarrier frequencies. Therefore, to characterize the accuracy of micro-Doppler frequency estimation, we compute the Cramer-Rao Bound (CRB) on the angular-velocity estimate of the target while considering the scatterer responses as deterministic but unknown nuisance parameters. Additionally, to improve the accuracy of the estimation procedure, we formulate and solve an optimization problem by minimizing the CRB on the angular-velocity estimate with respect to the transmitting OFDM spectral coefficients. We present several numerical examples to demonstrate the CRB variations at different values of the signal-to-noise ratio (SNR) and the number of OFDM subcarriers. The CRB values not only decrease with the increase in the SNR values, but also reduce as we increase the number of subcarriers implying the significance of frequency-diverse OFDM waveforms. The improvement in estimation accuracy due to the adaptive waveform design is also numerically analyzed. Interestingly, we find that the relative decrease in the CRBs on the angular-velocity estimate is more pronounced for larger number of OFDM subcarriers.
C1 [Sen, Satyabrata; Barhen, Jacob; Glover, Charles W.] Oak Ridge Natl Lab, Ctr Engn Sci Adv Res, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
RP Sen, S (reprint author), Oak Ridge Natl Lab, Ctr Engn Sci Adv Res, Comp Sci & Math Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM sens@ornl.gov; barhenj@ornl.gov; glovercw@ornl.gov
OI Sen, Satyabrata/0000-0001-9918-4409
NR 26
TC 0
Z9 0
U1 0
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-014-3
J9 PROC SPIE
PY 2014
VL 9077
AR 907713
DI 10.1117/12.2049404
PG 10
WC Engineering, Electrical & Electronic; Optics; Telecommunications
SC Engineering; Optics; Telecommunications
GA BB2TB
UT WOS:000342287500036
ER
PT S
AU Mancuso, M
Beeman, JW
Giuliani, A
Dumoulin, L
Olivieri, E
Pessina, G
Plantevin, O
Rusconi, C
Tenconi, M
AF Mancuso, M.
Beeman, J. W.
Giuliani, A.
Dumoulin, L.
Olivieri, E.
Pessina, G.
Plantevin, O.
Rusconi, C.
Tenconi, M.
BE Danevich, F
Tretyak, V
TI Q An experimental study of antireflective coatings in Ge light detectors
for scintillating bolometers
SO RPSCINT 2013 - INTERNATIONAL WORKSHOP ON RADIOPURE SCINTILLATORS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 3rd International Workshop on Radiopure Scintillators (RPSCINT)
CY SEP 17-20, 2013
CL Inst Nucl Res, Kyiv, UKRAINE
HO Inst Nucl Res
AB Luminescent bolometers are double-readout devices able to measure simultaneously the phonon and the light yields after a particle interaction in the detector. This operation allows in some cases to tag the type of the interacting quantum, crucial issue for background control in rare event experiments such as the search for neutrinoless double beta decay and for interactions of particle dark matter candidates. The light detectors used in the LUCIFER and LUMINEU searches (projects aiming at the study of the double beta interesting candidates 82Se and 100Mo using ZnSe and ZnMoO4 scintillating bolometers) consist of hyper-pure Ge thin slabs equipped with NTD thermistors. A substantial sensitivity improvement of the Ge light detectors can be obtained applying a proper anti-reflective coatings on the Ge side exposed to the luminescent bolometer. The present paper deals with the investigation of this aspect, proving and quantifying the positive effect of a SiO2 and a SiO coating and setting the experimental bases for future tests of other coating materials. The results confirm that an appropriate coating procedure helps in improving the sensitivity of bolometric light detectors by an important factor (in the range 20% - 35%) and needs to be included in the recipe for the development of an optimized radio-pure scintillating bolometer.
C1 [Mancuso, M.; Giuliani, A.; Dumoulin, L.; Olivieri, E.; Plantevin, O.; Tenconi, M.] Ctr Spectrometrie Nucl & Spectrometrie Masse, CNRS, F-91405 Orsay, France.
[Mancuso, M.; Giuliani, A.; Dumoulin, L.; Olivieri, E.; Plantevin, O.; Tenconi, M.] Univ Paris 11, F-91405 Orsay, France.
[Mancuso, M.; Giuliani, A.; Rusconi, C.] Univ Insubria, Dipartimento Sci & Alta Tecnol, I-22100 Como, Italy.
[Beeman, J. W.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Giuliani, A.; Pessina, G.; Rusconi, C.] Ist Nazl Fis Nucl, Sez Milano Bicocca, I-20126 Milan, Italy.
[Pessina, G.] Univ Milano Bicocca, Dipartimento Fis, Milan, Italy.
RP Mancuso, M (reprint author), Ctr Spectrometrie Nucl & Spectrometrie Masse, CNRS, F-91405 Orsay, France.
EM michele.mancuso@csnsm.in2p3.fr
FU LUCIFER; European Research Council under the EU Seventh Framework
Programme [247115]; ISOTTA; ASPERA 2nd Common Call dedicated to R D
activities
FX This work has been partially supported by the projects LUCIFER, funded
by the European Research Council under the EU Seventh Framework
Programme (ERC grant agreement n. 247115) and ISOTTA, a program
receiving funds from the ASPERA 2nd Common Call dedicated to R& D
activities.
NR 4
TC 2
Z9 2
U1 0
U2 3
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2014
VL 65
AR UNSP 04003
DI 10.1051/epjconf/20136504003
PG 4
WC Astronomy & Astrophysics; Physics, Applied; Physics, Nuclear
SC Astronomy & Astrophysics; Physics
GA BB2UL
UT WOS:000342352200013
ER
PT J
AU Bogart, TD
Lu, XT
Gu, M
Wang, CM
Korgel, BA
AF Bogart, Timothy D.
Lu, Xiaotang
Gu, Meng
Wang, Chongmin
Korgel, Brian A.
TI Enhancing the lithiation rate of silicon nanowires by the inclusion of
tin
SO RSC ADVANCES
LA English
DT Article
ID LITHIUM-ION BATTERIES; SIZE-DEPENDENT FRACTURE; HIGH-PERFORMANCE ANODE;
HIGH-CAPACITY; NEGATIVE ELECTRODES; LI; GRAPHENE; NANOPARTICLES;
CHALLENGES; SHELL
AB Silicon (Si) has a very high lithium storage capacity and is being explored as a negative electrode material in lithium-ion batteries (LIBs). Si nanowires can exhibit relatively stable performance for many cycles of charging; however, conductive carbon must often be added to the electrode layer to improve the rate capability due to the relatively low electrical conductivity of Si. The added carbon lowers the capacity of the electrode. Here, we show that the rate capability of Si in LIBs can be substantially enhanced by incorporating tin (Sn) into Si nanowires. The solubility of Sn in Si is very low (0.015 at%), yet, Sn used as a seed for supercritical fluid-liquid-solid (SFLS) growth can be trapped in Si nanowires with relatively high concentration (10 at%). Such Sn-containing Si nanowires and no added conductive carbon in the electrode layer, could be cycled in LIBs with high capacity (similar to 1000 mA h g(-1) over 100 cycles) at a current density of 2.8 A g(-1) (1 C). Capacities exceeding that of graphite could still be reached at cycle rates as high as 2 C. Real-time in situ transmission electron microscopy (TEM) revealed that lithiation occurs five times faster in Si nanowires with significant amounts of Sn than in the Si nanowires without Sn, and twice as fast as in nanowires that were coated with carbon.
C1 [Bogart, Timothy D.; Lu, Xiaotang; Korgel, Brian A.] Univ Texas Austin, Ctr Nano & Mol Sci & Technol, Texas Mat Inst, Dept Chem Engn, Austin, TX 78712 USA.
[Gu, Meng; Wang, Chongmin] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA.
RP Korgel, BA (reprint author), Univ Texas Austin, Ctr Nano & Mol Sci & Technol, Texas Mat Inst, Dept Chem Engn, Austin, TX 78712 USA.
EM korgel@che.utexas.edu
RI Gu, Meng/B-8258-2013; Lu, Xiaotang/E-7312-2014
OI Lu, Xiaotang/0000-0002-8575-5394
FU Robert A. Welch Foundation and as part of the program "Understanding
Charge Separation and Transfer at Interfaces in Energy Materials (EFRC:
CST)," [F-1464]; Energy Frontier Research Center - U.S. Department of
Energy Office of Science, Office of Basic Energy Sciences
[DE-SC0001091]; DOE's Office of Biological and Environmental Research
and located at Pacific Northwest National Laboratory (PNNL); Battelle
for the DOE [DE-AC05-76RLO1830]; Chemical Imaging Initiative at PNNL;
National Defense Science and Engineering Graduate Fellowship
FX This work was funded by the Robert A. Welch Foundation (grant no.
F-1464) and as part of the program "Understanding Charge Separation and
Transfer at Interfaces in Energy Materials (EFRC: CST)," an Energy
Frontier Research Center funded by the U.S. Department of Energy Office
of Science, Office of Basic Energy Sciences, under Award no.
DE-SC0001091. In situ TEM imaging was performed in the William R. Wiley
Environmental Molecular Sciences Laboratory (EMSL), a national
scientific user facility sponsored by DOE's Office of Biological and
Environmental Research and located at Pacific Northwest National
Laboratory (PNNL). PNNL is operated by Battelle for the DOE under
Contract DE-AC05-76RLO1830. C.M.W. and M.G. acknowledge the support of
the Chemical Imaging Initiative at PNNL. T.D.B acknowledges the National
Defense Science and Engineering Graduate Fellowship for financial
support.
NR 58
TC 6
Z9 6
U1 1
U2 32
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 2014
VL 4
IS 79
BP 42022
EP 42028
DI 10.1039/c4ra07418a
PG 7
WC Chemistry, Multidisciplinary
SC Chemistry
GA AP6BD
UT WOS:000342161600043
ER
PT J
AU Vicuna, S
Alvarez, P
Melo, O
Dale, L
Meza, F
AF Vicuna, S.
Alvarez, P.
Melo, O.
Dale, L.
Meza, F.
TI Irrigation infrastructure development in the Limari Basin in Central
Chile: implications for adaptation to climate variability and climate
change
SO WATER INTERNATIONAL
LA English
DT Article
DE irrigation infrastructure; water and land-use policy; irrigation
efficiency; climate change; climate variability; Central Chile
ID LARGE DAMS; SOFT-PATH; WATER; MANAGEMENT
AB One option to deal with climate variability in agriculture is to build irrigation infrastructure, although this may lead to the overdevelopment of water resources, leading to 'basin closure'. The Limari Basin, in central north Chile, has relied on irrigation infrastructure over the last 30 years to increase water supply reliability and extend irrigated acreage, especially for permanent crops. This situation has reduced adaptation opportunities in the basin, which is currently experiencing a severe drought that, according to climate change projections, is expected to persist in the future, with important consequences for the sustainability of agriculture production.
C1 [Vicuna, S.; Melo, O.; Meza, F.] Pontificia Univ Catolica Chile, Ctr Interdisciplinario Cambio Global UC, Santiago, Chile.
[Alvarez, P.] Univ La Serena, Dept Agron, Coquimbo, Chile.
[Melo, O.] Pontificia Univ Catolica Chile, Dept Agr Econ, Santiago, Chile.
[Dale, L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Meza, F.] Pontificia Univ Catolica Chile, Dept Ecosistemas & Medio Ambiente, Santiago, Chile.
RP Vicuna, S (reprint author), Pontificia Univ Catolica Chile, Ctr Interdisciplinario Cambio Global UC, Alameda 340, Santiago, Chile.
EM svicuna@uc.cl
RI Meza, Francisco/F-9297-2014; Melo, Oscar/N-8872-2014
OI Melo, Oscar/0000-0002-9136-5413
FU FONDECYT [1110297]
FX This work was carried out with support from FONDECYT (grant no.
1110297). We thank Mauricio Cortes, Aldo Tapia, Fidel Maureira and Alynn
Sanchez for help in the provision of crucial data and understanding of
the Limari Basin's water resources operations.
NR 27
TC 3
Z9 4
U1 3
U2 21
PU ROUTLEDGE JOURNALS, TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXFORDSHIRE, ENGLAND
SN 0250-8060
EI 1941-1707
J9 WATER INT
JI Water Int.
PY 2014
VL 39
IS 5
BP 620
EP 634
DI 10.1080/02508060.2014.945068
PG 15
WC Engineering, Civil; Water Resources
SC Engineering; Water Resources
GA AP7XW
UT WOS:000342292800003
ER
PT J
AU Thulasiraman, P
Clark, GA
Beach, TM
AF Thulasiraman, Preetha
Clark, Grace A.
Beach, Timothy M.
GP IEEE
TI Mobility Estimation Using an Extended Kalman Filter for Unmanned Ground
Vehicle Networks
SO 2014 IEEE INTERNATIONAL INTER-DISCIPLINARY CONFERENCE ON COGNITIVE
METHODS IN SITUATION AWARENESS AND DECISION SUPPORT (COGSIMA)
LA English
DT Proceedings Paper
CT IEEE International Inter-Disciplinary Conference on Cognitive Methods in
Situation Awareness and Decision Support (CogSIMA)
CY MAR 03-06, 2014
CL San Antonio, TX
SP IEEE
ID CELLULAR NETWORKS; TRACKING
AB An ad hoc unmanned ground vehicle (UGV) network operates as an intermittently connected mobile delay tolerant network (DTN). In this paper, we develop a mobility estimation algorithm that can be coupled with a cooperative communication routing algorithm to provide a basis for real time path planning in UGV-DTNs. A Gauss-Markov state space model is used for the node dynamics. The nonlinear measurement signals are constant-power RSSI (Received Signal Strength Indicator) signals transmitted from fixed-position base stations. An extended Kalman filter (EKF) is derived for estimating the position, velocity and acceleration of a UGV node in a two-dimensional spatial grid environment. We use Matlab to simulate a single mobile node traveling along a trajectory that includes abrupt maneuvers. Estimation performance is measured using zero-mean whiteness tests on the innovations sequences, root mean square error (RSME) of the state estimates, weighted sum squared residuals (WSSRs), and the posterior Cramer-Rao lower bound (PCRLB). Under these performance indices, we demonstrate that the mobility estimation algorithm performs effectively.
C1 [Thulasiraman, Preetha; Beach, Timothy M.] Naval Postgrad Sch, Dept Elect & Comp Engn, Monterey, CA 93943 USA.
[Clark, Grace A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Thulasiraman, P (reprint author), Naval Postgrad Sch, Dept Elect & Comp Engn, Monterey, CA 93943 USA.
EM pthulas1@nps.edu; clarkga1@comcast.net; tmbeach@nps.edu
NR 14
TC 1
Z9 1
U1 0
U2 1
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
BN 978-1-4799-3564-2
PY 2014
BP 223
EP 229
PG 7
WC Computer Science, Interdisciplinary Applications; Engineering,
Multidisciplinary
SC Computer Science; Engineering
GA BB2AO
UT WOS:000341577900035
ER
PT S
AU Tan, L
Chen, LX
Chen, ZZ
Zong, ZL
Ge, R
Li, D
AF Tan, Li
Chen, Longxiang
Chen, Zizhong
Zong, Ziliang
Ge, Rong
Li, Dong
BE Abramson, D
Lees, M
Krzhizhanovskaya, VV
Dongarra, J
Sloot, PMA
TI HP-DAEMON: High Performance Distributed Adaptive Energy-efficient
Matrix-multiplicatiON
SO 2014 INTERNATIONAL CONFERENCE ON COMPUTATIONAL SCIENCE
SE Procedia Computer Science
LA English
DT Proceedings Paper
CT 14th Annual International Conference on Computational Science
CY JUN 10-12, 2014
CL Cairns, AUSTRALIA
SP Univ Queensland, Univ Amsterdam, NTU Singapore, Univ Tennessee
DE energy; DVFS; adaptive; memory-aware; performance; binomial tree
broadcast; pipeline broadcast; ScaLAPACK; DPLASMA
AB The demands of improving energy efficiency for high performance scientific applications arise crucially nowadays. Software-controlled hardware solutions directed by Dynamic Voltage and Frequency Scaling (DVFS) have shown their effectiveness extensively. Although DVFS is beneficial to green computing, introducing DVFS itself can incur non-negligible overhead, if there exist a large number of frequency switches issued by DVFS. In this paper, we propose a strategy to achieve the optimal energy savings for distributed matrix multiplication via algorithmically trading more computation and communication at a time adaptively with user-specified memory costs for less DVFS switches, which saves 7.5% more energy on average than a classic strategy. Moreover, we leverage a high performance communication scheme for fully exploiting network bandwidth via pipeline broadcast. Overall, the integrated approach achieves substantial energy savings (up to 51.4%) and performance gain (28.6% on average) compared to ScaLAPACK pdgemm() on a cluster with an Ethernet switch, and outperforms ScaLAPACK and DPLASMA pdgemm() respectively by 33.3% and 32.7% on average on a cluster with an Infiniband switch.
C1 [Tan, Li; Chen, Longxiang; Chen, Zizhong] Univ Calif Riverside, Riverside, CA 92521 USA.
[Zong, Ziliang] Texas State Univ, San Marcos, TX USA.
[Ge, Rong] Marquette Univ, Milwaukee, WI 53233 USA.
[Li, Dong] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Tan, L (reprint author), Univ Calif Riverside, Riverside, CA 92521 USA.
EM ltan003@cs.ucr.edu; lchen060@cs.ucr.edu; chen@cs.ucr.edu;
zz11@txstate.edu; rong.ge@marquette.edu; lid1@ornl.gov
FU US National Science Foundation [CNS-1118043, CNS-1116691, CNS-1304969,
CNS-1305359, CNS-1305382]
FX This work is partially supported by US National Science Foundation
grants CNS-1118043, CNS-1116691, CNS-1304969, CNS-1305359, and
CNS-1305382.
NR 20
TC 2
Z9 2
U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1877-0509
J9 PROCEDIA COMPUT SCI
PY 2014
VL 29
BP 599
EP 613
DI 10.1016/j.procs.2014.05.054
PG 15
WC Computer Science, Theory & Methods
SC Computer Science
GA BB1ZD
UT WOS:000341492700054
ER
PT S
AU Langan, R
Archibald, R
Plumlee, M
Mahajan, S
Ricciuto, D
Yang, C
Mei, R
Mao, J
Shi, X
Fu, JS
AF Langan, R.
Archibald, R.
Plumlee, M.
Mahajan, S.
Ricciuto, D.
Yang, C.
Mei, R.
Mao, J.
Shi, X.
Fu, J. S.
BE Abramson, D
Lees, M
Krzhizhanovskaya, VV
Dongarra, J
Sloot, PMA
TI Stochastic Parameterization to Represent Variability and Extremes in
Climate Modeling
SO 2014 INTERNATIONAL CONFERENCE ON COMPUTATIONAL SCIENCE
SE Procedia Computer Science
LA English
DT Proceedings Paper
CT 14th Annual International Conference on Computational Science
CY JUN 10-12, 2014
CL Cairns, AUSTRALIA
SP Univ Queensland, Univ Amsterdam, NTU Singapore, Univ Tennessee
AB Unresolved sub-grid processes, those which are too small or dissipate too quickly to be captured within a model's spatial resolution, are not adequately parameterized by conventional numerical climate models. Sub-grid heterogeneity is lost in parameterizations that quantify only the 'bulk effect' of sub-grid dynamics on the resolved scales. A unique solution, one unreliant on increased grid resolution, is the employment of stochastic parameterization of the sub-grid to reintroduce variability. We administer this approach in a coupled land-atmosphere model, one that combines the single-column Community Atmosphere Model (CAM-SC) and the single-point Community Land Model (CLM-SP), by incorporating a stochastic representation of sub-grid latent heat flux to force the distribution of precipitation. Sub-grid differences in surface latent heat flux arise from the mosaic of Plant Functional Types (PFT) that describe terrestrial land cover. With the introduction of a stochastic parameterization framework to affect the distribution of sub-grid PFT's, we alter the distribution of convective precipitation over regions with high PFT variability. The stochastically forced precipitation probability density functions (pdf) show lengthened tails, demonstrating the retrieval of rare events. Through model data analysis we show that the stochastic model increases both the frequency and intensity of rare events in comparison to conventional deterministic parameterization.
C1 [Langan, R.; Archibald, R.; Mahajan, S.; Ricciuto, D.; Mei, R.; Mao, J.; Shi, X.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA.
[Mahajan, S.; Mei, R.] Oak Ridge Natl Lab, Computat Earth Sci Grp, Oak Ridge, TN USA.
[Langan, R.; Archibald, R.] Oak Ridge Natl Lab, Computat & Appl Math Grp, Oak Ridge, TN USA.
[Yang, C.; Fu, J. S.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN USA.
[Ricciuto, D.; Mao, J.; Shi, X.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN USA.
RP Langan, R (reprint author), Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA.
EM langanrt@ornl.gov
RI Ricciuto, Daniel/I-3659-2016; Archibald, Rick/I-6238-2016; Mao,
Jiafu/B-9689-2012;
OI Ricciuto, Daniel/0000-0002-3668-3021; Archibald,
Rick/0000-0002-4538-9780; Mao, Jiafu/0000-0002-2050-7373; Mahajan,
Salil/0000-0001-5767-8590; Yang, Cheng-En/0000-0002-4069-4997
FU U.S. Government [DE-AC05-00OR22725]
FX The submitted manuscript has been authored in part by contractors
[UT-Battelle LLC, manager of Oak Ridge National Laboratory (ORNL)] of
the U.S. Government under Contract No. DE-AC05-00OR22725. Accordingly,
the U.S. Government retains a non-exclusive, royalty-free license to
publish or reproduce the published form of this contribution, or allow
others to do so, for U.S. Government purposes. Special thanks to the
Research Alliance in Math and Science (RAMS) program and the Climate
Change Science Institute (CCSI) at ORNL.
NR 16
TC 1
Z9 1
U1 0
U2 6
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1877-0509
J9 PROCEDIA COMPUT SCI
PY 2014
VL 29
BP 1146
EP 1155
DI 10.1016/j.procs.2014.05.103
PG 10
WC Computer Science, Theory & Methods
SC Computer Science
GA BB1ZD
UT WOS:000341492700103
ER
PT S
AU Lingerfelt, EJ
Messer, OEB
Desai, SS
Holt, CA
Lentz, EJ
AF Lingerfelt, E. J.
Messer, O. E. B.
Desai, S. S.
Holt, C. A.
Lentz, E. J.
BE Abramson, D
Lees, M
Krzhizhanovskaya, VV
Dongarra, J
Sloot, PMA
TI Near Real-time Data Analysis of Core-Collapse Supernova Simulations With
Bellerophon
SO 2014 INTERNATIONAL CONFERENCE ON COMPUTATIONAL SCIENCE
SE Procedia Computer Science
LA English
DT Proceedings Paper
CT 14th Annual International Conference on Computational Science
CY JUN 10-12, 2014
CL Cairns, AUSTRALIA
SP Univ Queensland, Univ Amsterdam, NTU Singapore, Univ Tennessee
DE data analysis; visualization; core-collapse supernovae; n-tier
architecture; software engineering; usability; workflow management;
artifact management
ID STARS
AB We present an overview of a software system, Bellerophon, built to support a production-level HPC application called CHIMERA, which simulates core-collapse supernova events at the petascale. Developed over the last four years, Bellerophon enables CHIMERA's geographically dispersed team of collaborators to perform data analysis in near real-time. Its n-tier architecture provides an encapsulated, end-to-end software solution that enables the CHIMERA team to quickly and easily access highly customizable animated and static views of results from anywhere in the world via a web-deliverable, cross-platform desktop application. In addition, Bellerophon addresses software engineering tasks for the CHIMERA team by providing an automated mechanism for performing regression testing on a variety of supercomputing platforms. Elements of the team's workflow management needs are met with software tools that dynamically generate code repository statistics, access important online resources, and monitor the current status of several supercomputing resources.
C1 [Lingerfelt, E. J.; Messer, O. E. B.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Messer, O. E. B.; Desai, S. S.] Univ Tennessee, Knoxville, TN USA.
[Holt, C. A.] Appalachian State Univ, Boone, NC USA.
RP Lingerfelt, EJ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM lingerfeltej@ornl.gov; bronson@ornl.gov; sdesai7@utk.edu;
holtca1@appstate.edu; elentz@utk.edu
RI Messer, Bronson/G-1848-2012
OI Messer, Bronson/0000-0002-5358-5415
FU U. S. Department of Energy Offices of Nuclear Physics and Advanced
Scientific Computing Research; National Center for Computational
Sciences at Oak Ridge National Laboratory; U. S. Department of Energy
[DE-AC05-00OR22725]; National Science Foundation [0711134, 0933959,
1041709, 1041710]; University of Tennessee through the use of the Kraken
computing resource at the National Institute for Computational Sciences;
Office of Science of the U. S. Department of Energy [DE-AC0500OR22725];
National Energy Research Scientific Computing Center - Office of Science
of the U. S. Department of Energy [AC0205CH11231]
FX This work has been supported by the U. S. Department of Energy Offices
of Nuclear Physics and Advanced Scientific Computing Research as well as
the National Center for Computational Sciences at Oak Ridge National
Laboratory. ORNL is managed by UT- Battelle, LLC for the U. S.
Department of Energy under Contract No. DE-AC05-00OR22725. This material
is based upon work supported by the National Science Foundation under
Grant numbers 0711134, 0933959, 1041709, and 1041710 and the University
of Tennessee through the use of the Kraken computing resource at the
National Institute for Computational Sciences. An award of computer time
was provided by the Innovative and Novel Computational Impact on Theory
and Experiment ( INCITE) program. This research used resources of the
Oak Ridge Leadership Computing Facility at the Oak Ridge National
Laboratory, which is supported by the Office of Science of the U. S.
Department of Energy under Contract No. DE-AC0500OR22725, and 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-AC0205CH11231.
NR 10
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 1877-0509
J9 PROCEDIA COMPUT SCI
PY 2014
VL 29
BP 1504
EP 1514
DI 10.1016/j.procs.2014.05.136
PG 11
WC Computer Science, Theory & Methods
SC Computer Science
GA BB1ZD
UT WOS:000341492700136
ER
PT S
AU Wang, DL
Schuchart, J
Janjusic, T
Winkler, F
Xu, Y
Kartsaklis, C
AF Wang, Dali
Schuchart, Joseph
Janjusic, Tomislav
Winkler, Frank
Xu, Yang
Kartsaklis, Christos
BE Abramson, D
Lees, M
Krzhizhanovskaya, VV
Dongarra, J
Sloot, PMA
TI Toward Better Understanding of the Community Land Model within the Earth
System Modeling Framework
SO 2014 INTERNATIONAL CONFERENCE ON COMPUTATIONAL SCIENCE
SE Procedia Computer Science
LA English
DT Proceedings Paper
CT 14th Annual International Conference on Computational Science
CY JUN 10-12, 2014
CL Cairns, AUSTRALIA
SP Univ Queensland, Univ Amsterdam, NTU Singapore, Univ Tennessee
DE Legacy Scientific Software Application; Community Earth System Model;
Community Land Model; Global Variables; High Performance Computing;
Software Profiling and Debugging
AB One key factor in the improved understanding of earth system science is the development and improvement of high fidelity models. Along with the deeper understanding of biogeophysical and biogeochemical processes, the software complexity of those earth system models becomes a barrier for further rapid model improvements and validation. In this paper, we present our experience on better understanding the Community Land Model (CLM) within an earth system modelling framework. First, we give an overview of the software system of the global offline CLM simulation. Second, we present our approach to better understand the CLM software structure and data structure using advanced software tools. After that, we focus on the practical issues related to CLM computational performance and individual ecosystem function. Since better software engineering practices are much needed for general scientific software systems, we hope those considerations can be beneficial to many other modeling research programs involving multiscale system dynamics.
C1 [Wang, Dali; Janjusic, Tomislav; Winkler, Frank; Kartsaklis, Christos] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Schuchart, Joseph] Tech Univ Dresden, Dresden, Germany.
[Winkler, Frank] Univ Tennessee, Knoxville, TN USA.
RP Wang, DL (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM wangd@ornl.gov; joseph.schuchart@tu-dresden.de; janjusict@ornl.gov;
winklerf@ornl.gov; yxu30@utk.edu; kartsakisc@ornl.gov
OI Winkler, Frank/0000-0003-1648-9747; Xu, Yang/0000-0003-3898-022X
FU U. S. DOE, Office of Science, Biological and Environmental Research (
BER); Department of Energy [DE-AC05-00OR22725]
FX This research was funded by the U. S. DOE, Office of Science, Biological
and Environmental Research ( BER). This research used resources of the
Oak Ridge Leadership Computing Facility, located at Oak Ridge National
Laboratory, which is managed by UT-Battelle LLC for the Department of
Energy under contract DE-AC05-00OR22725.
NR 17
TC 1
Z9 1
U1 0
U2 2
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1877-0509
J9 PROCEDIA COMPUT SCI
PY 2014
VL 29
BP 1515
EP 1524
DI 10.1016/j.procs.2014.05.137
PG 10
WC Computer Science, Theory & Methods
SC Computer Science
GA BB1ZD
UT WOS:000341492700137
ER
PT B
AU Katoh, Y
AF Katoh, Y.
BE Low, IM
TI Ceramic matrix composites in fission and fusion energy applications
SO ADVANCES IN CERAMIC MATRIX COMPOSITES
SE Woodhead Publishing Series in Composites Science and Engineering
LA English
DT Article; Book Chapter
DE ceramic matrix composites; SiC/SiC composite; C/C composite; nuclear
energy; fusion energy; fission energy; radiation effects; small specimen
test technology
ID SILICON-CARBIDE COMPOSITES; IRRADIATED SIC/SIC COMPOSITES;
ELECTRON-SPIN-RESONANCE; MECHANICAL-PROPERTIES; CONSTITUENT PROPERTIES;
NEUTRON-IRRADIATION; BLANKET CONCEPT; POWER-PLANT; HYSTERESIS
MEASUREMENTS; SICF/SIC COMPOSITES
AB Ceramic matrix composites are key materials for advanced energy systems. Silicon carbide (SiC) continuous fibre-reinforced SiC matrix composites have promise for fission energy and fusion energy due to their high-temperature strength, chemical inertness, irradiation tolerance and the favourable nuclear properties of SiC, and the damage tolerance and predictable strength of the composite structure. SiC-based composites can be used to enhance the accident tolerance of light water reactors. These applications require materials with high reliability in harsh conditions, imposing challenges for materials. This chapter reviews the effect of irradiation on SiC and carbon-fibre composites, gives an overview of the potential applications of these materials in fusion energy systems and nuclear reactors, and concludes with future prospects and opportunities for research.
C1 Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
RP Katoh, Y (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, POB 2008, Oak Ridge, TN 37831 USA.
EM katohy@ornl.gov
NR 75
TC 0
Z9 0
U1 2
U2 6
PU WOODHEAD PUBL LTD
PI CAMBRIDGE
PA ABINGTON HALL ABINGTON, CAMBRIDGE CB1 6AH, CAMBS, ENGLAND
BN 978-0-85709-882-5; 978-0-85709-120-8
J9 WOODH PUB S COMPOS S
PY 2014
IS 45
BP 496
EP 523
DI 10.1533/9780857098825.3.496
PG 28
WC Materials Science, Ceramics; Materials Science, Composites
SC Materials Science
GA BB2FR
UT WOS:000341728200020
ER
PT J
AU Almanza, VH
Molina, LT
Li, G
Fast, J
Sosa, G
AF Almanza, V. H.
Molina, L. T.
Li, G.
Fast, J.
Sosa, G.
TI Impact of external industrial sources on the regional and local SO2 and
O-3 levels of the Mexico megacity
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID CITY METROPOLITAN-AREA; 4-DIMENSIONAL DATA ASSIMILATION; MILAGRO FIELD
CAMPAIGN; AIR-QUALITY; OZONE FORMATION; AEROSOL COMPOSITION; RAMA
MEASUREMENTS; CLOUD MODEL; PART I; EMISSIONS
AB The air quality of megacities can be influenced by external emission sources on both global and regional scales. At the same time their outflow emissions can exert an impact to the surrounding environment. The present study evaluates an SO2 peak observed on 24 March 2006 at the suburban supersite T1 and at ambient air quality monitoring stations located in the northern region of the Mexico City Metropolitan Area (MCMA) during the Megacity Initiative: Local and Global Research Observations (MILAGRO) field campaign. We found that this peak could be related to an important episodic emission event coming from Tizayuca region, northeast of the MCMA. Back-trajectory analyses suggest that the emission event started in the early morning at 04: 00 LST and lasted for about 9 h. The estimated emission rate is about 2 kg s(-1). To the best of our knowledge, sulfur dioxide emissions from the Tizayuca region have not been considered in previous studies. This finding suggests the possibility of "overlooked" emission sources in this region that could influence the air quality of the MCMA. This further motivated us to study the cement plants, including those in the state of Hidalgo and in the State of Mexico. It was found that they can contribute to the SO2 levels in the northeast (NE) region of the basin (about 42 %), at the suburban supersite T1 (41 %) and that at some monitoring stations their contribution can be even higher than the contribution from the Tula Industrial Complex (TIC).
The contribution of the Tula Industrial Complex to regional ozone levels is estimated. The model suggests low contribution to the MCMA (1 to 4 ppb) and slightly higher contribution at the suburban T1 (6 ppb) and rural T2 (5 ppb) supersites. However, the contribution could be as high as 10 ppb in the upper northwest region of the basin and in the southwest and south-southeast regions of the state of Hidalgo. In addition, the results indicated that the ozone plume could also be transported to northwest Tlaxcala, eastern Hidalgo, and farther northeast of the State of Mexico, but with rather low values. A first estimate of the potential contribution from flaring activities to regional ozone levels is presented. Results suggest that up to 30% of the total regional ozone from TIC could be related to flaring activities.
Finally, the influence on SO2 levels from technological changes in the existing refinery is briefly discussed. These changes are due to the upcoming construction of a new refinery in Tula. The combination of emission reductions in the power plant, the refinery and in local sources in the MCMA could result in higher reductions on the average SO2 concentration. Reductions in external sources tend to affect more the northern part of the basin (-16 to -46 %), while reductions of urban sources in the megacity tend to diminish SO2 levels substantially in the central, southwest, and southeast regions (-31 to -50 %).
C1 [Almanza, V. H.; Sosa, G.] Inst Mexicano Petr, Mexico City 07730, DF, Mexico.
[Almanza, V. H.; Molina, L. T.; Li, G.] Molina Ctr Energy & Environm, La Jolla, CA USA.
[Almanza, V. H.; Molina, L. T.] MIT, Cambridge, MA 02139 USA.
[Fast, J.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Sosa, G (reprint author), Inst Mexicano Petr, Mexico City 07730, DF, Mexico.
EM gsosa@imp.mx
RI Sosa, Gustavo/F-3912-2015
OI Sosa, Gustavo/0000-0002-4980-3491
FU IMPei; CONACYT; IMP; US Department of Energy's Atmospheric System
Research Program [DE-AC06-76RLO 1830]; NSF [AGS-1135141]
FX V. Almanza would like to thank M. Zavala and W. Lei for their
suggestions and discussions, O. Todd and M. Nicholas for their
recommendations, E. S. W. Garcia for his help with MPICH, M. Magdaleno
for his support with IMPei, and CONACYT and the IMP for their support.
V. Almanza is a Molina Fellow at MIT. J. Fast was supported by the US
Department of Energy's Atmospheric System Research Program under
Contract DE-AC06-76RLO 1830 at PNNL. L. Molina and G. Li would like to
acknowledge support from NSF award AGS-1135141. Experimental data from
MILAGRO campaign is greatly acknowledged.
NR 75
TC 1
Z9 1
U1 3
U2 13
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2014
VL 14
IS 16
BP 8483
EP 8499
DI 10.5194/acp-14-8483-2014
PG 17
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AP3QK
UT WOS:000341991600016
ER
PT J
AU Haga, DI
Burrows, SM
Iannone, R
Wheeler, MJ
Mason, RH
Chen, J
Polishchuk, EA
Poschl, U
Bertram, AK
AF Haga, D. I.
Burrows, S. M.
Iannone, R.
Wheeler, M. J.
Mason, R. H.
Chen, J.
Polishchuk, E. A.
Poeschl, U.
Bertram, A. K.
TI Ice nucleation by fungal spores from the classes Agaricomycetes,
Ustilaginomycetes, and Eurotiomycetes, and the effect on the atmospheric
transport of these spores
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID BIOLOGICAL AEROSOL-PARTICLES; SUBMODEL SYSTEM MESSY; GLOBAL CLIMATE
MODEL; TECHNICAL NOTE; SOYBEAN RUST; MINERAL DUST; AIRBORNE
BASIDIOSPORES; METEOROLOGICAL FACTORS; FUSARIUM-AVENACEUM; TRACER
TRANSPORT
AB We studied the ice nucleation properties of 12 different species of fungal spores chosen from three classes: Agaricomycetes, Ustilaginomycetes, and Eurotiomycetes. Agaricomycetes include many types of mushroom species and are widely distributed over the globe. Ustilaginomycetes are agricultural pathogens and have caused widespread damage to crops. Eurotiomycetes are found on all types of decaying material and include important human allergens. We focused on these classes because they are thought to be abundant in the atmosphere and because there is very little information on the ice nucleation ability of these classes of spores in the literature. All of the fungal spores investigated contained some fraction of spores that serve as ice nuclei at temperatures warmer than homogeneous freezing. The cumulative number of ice nuclei per spore was 0.001 at temperatures between -19 degrees C and -29 degrees C, 0.01 between -25.5 degrees C and -31 degrees C, and 0.1 between -26 degrees C and -31.5 degrees C. On average, the order of ice nucleating ability for these spores is Ustilaginomycetes > Agaricomycetes similar or equal to Eurotiomycetes. The freezing data also suggests that, at temperatures ranging from -20 degrees C to -25 degrees C, all of the fungal spores studied here are less efficient ice nuclei compared to Asian mineral dust on a per surface area basis. We used our new freezing results together with data in the literature to compare the freezing temperatures of spores from the phyla Basidiomycota and Ascomycota, which together make up 98% of known fungal species found on Earth. The data show that within both phyla (Ascomycota and Basidiomycota), there is a wide range of freezing properties, and also that the variation within a phylum is greater than the variation between the average freezing properties of the phyla. Using a global chemistry-climate transport model, we investigated whether ice nucleation on the studied spores, followed by precipitation, can influence the transport and global distributions of these spores in the atmosphere. Simulations suggest that inclusion of ice nucleation scavenging of these fungal spores in mixed-phase clouds can decrease the annual mean concentrations of fungal spores in near-surface air over the oceans and polar regions, and decrease annual mean concentrations in the upper troposphere.
C1 [Haga, D. I.; Iannone, R.; Wheeler, M. J.; Mason, R. H.; Chen, J.; Polishchuk, E. A.; Bertram, A. K.] Univ British Columbia, Dept Chem, Vancouver, BC V6T 1Z1, Canada.
[Burrows, S. M.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Poeschl, U.] Max Planck Inst Chem, D-55128 Mainz, Germany.
RP Bertram, AK (reprint author), Univ British Columbia, Dept Chem, 2036 Main Mall, Vancouver, BC V6T 1Z1, Canada.
EM susannah.burrows@pnnl.gov; bertram@chem.ubc.ca
RI Burrows, Susannah/A-7429-2011; Poschl, Ulrich/A-6263-2010; Mason,
Ryan/K-1450-2015;
OI Burrows, Susannah/0000-0002-0745-7252; Poschl,
Ulrich/0000-0003-1412-3557; Mason, Ryan/0000-0003-2942-3608; Iannone,
Richard/0000-0003-3925-190X
FU Natural Sciences and Engineering Research Council of Canada; Ice Nuclei
Research Unit of the German Research Foundation [DFG PO1013/5-1, FOR
1525 INUIT]; Office of Science Biological and Environmental Research
Program of the U.S. Department of Energy
FX The authors thank D. Horne for SEM imaging of the fungal spores, T.
Taylor and M. Berbee for advice on the harvesting of fungal fruiting
bodies and the isolation of fungal spores, M. Niemand for Asian mineral
dust results, and J. Frohlich for support with manuscript preparation.
This research was supported by the Natural Sciences and Engineering
Research Council of Canada and the Ice Nuclei Research Unit of the
German Research Foundation (DFG PO1013/5-1, FOR 1525 INUIT). S. M.
Burrows acknowledges the support of the Office of Science Biological and
Environmental Research Program of the U.S. Department of Energy as part
of the Earth System Modeling Program..
NR 133
TC 10
Z9 10
U1 4
U2 28
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 2014
VL 14
IS 16
BP 8611
EP 8630
DI 10.5194/acp-14-8611-2014
PG 20
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AP3QK
UT WOS:000341991600023
ER
PT J
AU Zhang, K
Wan, H
Liu, X
Ghan, SJ
Kooperman, GJ
Ma, PL
Rasch, PJ
Neubauer, D
Lohmann, U
AF Zhang, K.
Wan, H.
Liu, X.
Ghan, S. J.
Kooperman, G. J.
Ma, P. -L.
Rasch, P. J.
Neubauer, D.
Lohmann, U.
TI Technical Note: On the use of nudging for aerosol-climate model
intercomparison studies
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID COMMUNITY ATMOSPHERE MODEL; GENERAL-CIRCULATION MODEL; CLOUD
MICROPHYSICS SCHEME; GLOBAL-MODELS; VERSION-3 CAM3; PARAMETERIZATION;
SENSITIVITY; IMPACT; SIMULATIONS; ECHAM5-HAM
AB Nudging as an assimilation technique has seen increased use in recent years in the development and evaluation of climate models. Constraining the simulated wind and temperature fields using global weather reanalysis facilitates more straightforward comparison between simulation and observation, and reduces uncertainties associated with natural variabilities of the large-scale circulation. On the other hand, the forcing introduced by nudging can be strong enough to change the basic characteristics of the model climate. In the paper we show that for the Community Atmosphere Model version 5 (CAM5), due to the systematic temperature bias in the standard model and the sensitivity of simulated ice formation to anthropogenic aerosol concentration, nudging towards reanalysis results in substantial reductions in the ice cloud amount and the impact of anthropogenic aerosols on long-wave cloud forcing.
In order to reduce discrepancies between the nudged and unconstrained simulations, and meanwhile take the advantages of nudging, two alternative experimentation methods are evaluated. The first one constrains only the horizontal winds. The second method nudges both winds and temperature, but replaces the long-term climatology of the reanalysis by that of the model. Results show that both methods lead to substantially improved agreement with the free-running model in terms of the top-of-atmosphere radiation budget and cloud ice amount. The wind-only nudging is more convenient to apply, and provides higher correlations of the wind fields, geopotential height and specific humidity between simulation and reanalysis. Results from both CAM5 and a second aerosol-climate model ECHAM6-HAM2 also indicate that compared to the wind-and-temperature nudging, constraining only winds leads to better agreement with the free-running model in terms of the estimated shortwave cloud forcing and the simulated convective activities. This suggests nudging the horizontal winds but not temperature is a good strategy for the investigation of aerosol indirect effects since it provides well-constrained meteorology without strongly perturbing the model's mean climate.
C1 [Zhang, K.; Wan, H.; Ghan, S. J.; Ma, P. -L.; Rasch, P. J.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Liu, X.] Univ Wyoming, Laramie, WY 82071 USA.
[Kooperman, G. J.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA.
[Neubauer, D.; Lohmann, U.] ETH, Inst Atmospher & Climate Sci, Zurich, Switzerland.
RP Zhang, K (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM kai.zhang@pnnl.gov
RI Liu, Xiaohong/E-9304-2011; Wan, Hui/J-4701-2013; Ma, Po-Lun/G-7129-2015;
Zhang, Kai/F-8415-2010; Ghan, Steven/H-4301-2011; Lohmann,
Ulrike/B-6153-2009
OI Liu, Xiaohong/0000-0002-3994-5955; Ma, Po-Lun/0000-0003-3109-5316;
Zhang, Kai/0000-0003-0457-6368; Ghan, Steven/0000-0001-8355-8699;
Lohmann, Ulrike/0000-0001-8885-3785
FU NCAR's Computational and Information Systems Laboratory; Office of
Science of US Department of Energy as part of the Earth System Modeling
Program; Scientific Discovery Through Advanced Computing (SciDAC)
Program; Linus Pauling Distinguished Postdoctoral Fellowship of the
Pacific Northwest National Laboratory (PNNL); PNNL Laboratory Directed
Research and Development Program; Battelle Memorial Institute
[DE-AC05-76RL01830]; Center for Multiscale Modeling of Atmospheric
Processes; National Science Foundation; Science and Technology Center
[ATM-0425247]; Austrian Science Fund (FWF) [J 3402-N29]
FX We thank Minghuai Wang, Heng Xiao, Yang Gao and Kyo-Sun Lim (PNNL) for
helpful discussions. We also thank the two anonymous reviewers for their
comments and suggestions. For the CAM5 simulations, 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. The PNNL Institutional Computing (PIC) also provided
computational resources for short test simulations. K. Zhang, X. Liu, S.
Ghan, P.-L. Ma, and P. J. Rasch were supported by the Office of Science
of US Department of Energy as part of the Earth System Modeling Program
and the Scientific Discovery Through Advanced Computing (SciDAC)
Program. H. Wan was supported by the Linus Pauling Distinguished
Postdoctoral Fellowship of the Pacific Northwest National Laboratory
(PNNL) and the PNNL Laboratory Directed Research and Development
Program. PNNL is a multiprogram laboratory operated for DOE by Battelle
Memorial Institute under contract DE-AC05-76RL01830. G. J. Kooperman was
supported by the Center for Multiscale Modeling of Atmospheric Processes
(www.cmmap.org), a National Science Foundation, Science and Technology
Center under Cooperative Agreement ATM-0425247, through sub-awards to
Richard Somerville and John Helly. D. Neubauer gratefully acknowledges
the support by the Austrian Science Fund (FWF): J 3402-N29 (Erwin
Schrodinger Fellowship Abroad). The Center for Climate Systems Modeling
(C2SM) at ETH Zurich is acknowledged for providing technical and
scientific support.
NR 53
TC 20
Z9 20
U1 1
U2 16
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 2014
VL 14
IS 16
BP 8631
EP 8645
DI 10.5194/acp-14-8631-2014
PG 15
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AP3QK
UT WOS:000341991600024
ER
PT J
AU Johnston, MS
Eliasson, S
Eriksson, P
Forbes, RM
Gettelman, A
Raisanen, P
Zelinka, MD
AF Johnston, M. S.
Eliasson, S.
Eriksson, P.
Forbes, R. M.
Gettelman, A.
Raisanen, P.
Zelinka, M. D.
TI Diagnosing the average spatio-temporal impact of convective systems -
Part 2: A model intercomparison using satellite data
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID COMMUNITY ATMOSPHERE MODEL; CLOUD MICROPHYSICS SCHEME; LARGE-SCALE
MODELS; GENERAL-CIRCULATION MODEL; DIURNAL CYCLE; CUMULUS
PARAMETERIZATION; THERMAL EQUILIBRIUM; TROPICAL CONVECTION; DEEP
CONVECTION; EC-EARTH
AB The representation of the effect of tropical deep convective (DC) systems on upper-tropospheric moist processes and outgoing longwave radiation is evaluated in the EC-Earth3, ECHAM6, and CAM5 (Community Atmosphere Model) climate models using satellite-retrieved data. A composite technique is applied to thousands of deep convective systems that are identified using local rain rate maxima in order to focus on the temporal evolution of the deep convective processes in the model and satellite-retrieved data.
The models tend to over-predict the occurrence of rain rates that are less than approximate to 3 mm h(-1) compared to Tropical Rainfall Measurement Mission (TRMM) Multi-satellite Precipitation Analysis (TMPA). While the diurnal distribution of oceanic rain rate maxima in the models is similar to the satellite-retrieved data, the land-based maxima are out of phase.
Despite having a larger climatological mean uppertropospheric relative humidity, models closely capture the satellite-derived moistening of the upper troposphere following the peak rain rate in the deep convective systems. Simulated cloud fractions near the tropopause are larger than in the satellite data, but the ice water contents are smaller compared with the satellite-retrieved ice data. The models capture the evolution of ocean-based deep convective systems fairly well, but the land-based systems show significant discrepancies. Over land, the diurnal cycle of rain is too intense, with deep convective systems occurring at the same position on subsequent days, while the satellite-retrieved data vary more in timing and geographical location.
Finally, simulated outgoing longwave radiation anomalies associated with deep convection are in reasonable agreement with the satellite data, as well as with each other. Given the fact that there are strong disagreements with, for example, cloud ice water content, and cloud fraction, between the models, this study supports the hypothesis that such agreement with satellite-retrieved data is achieved in the three models due to different representations of deep convection processes and compensating errors.
C1 [Johnston, M. S.; Eriksson, P.] Chalmers, Dept Earth & Space Sci, S-41296 Gothenburg, Sweden.
[Johnston, M. S.; Eliasson, S.] Swedish Meteorol & Hydrol Inst, S-60176 Norrkoping, Sweden.
[Eliasson, S.] Lulea Univ Technol, Div Space Technol, Dept Comp Sci Elect & Space Engn, Kiruna, Sweden.
[Forbes, R. M.] European Ctr Medium Range Weather Forecasts, Reading RG2 9AX, Berks, England.
[Gettelman, A.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
[Raisanen, P.] Finnish Meteorol Inst, FIN-00101 Helsinki, Finland.
[Zelinka, M. D.] Lawrence Livermore Natl Lab, Livermore, CA USA.
RP Johnston, MS (reprint author), Chalmers, Dept Earth & Space Sci, S-41296 Gothenburg, Sweden.
EM shejo284@gmail.com
RI Raisanen, Petri/I-1954-2012; Eriksson, Patrick/A-5321-2009; Johnston,
Marston/E-6838-2015; Zelinka, Mark/C-4627-2011
OI Raisanen, Petri/0000-0003-4466-213X; Eriksson,
Patrick/0000-0002-8475-0479; Johnston, Marston/0000-0003-3788-8659;
Zelinka, Mark/0000-0002-6570-5445
FU Regional and Global Climate Modeling Program of the Office of Science at
the US Department of Energy (DOE); US DOE by Lawrence Livermore National
Laboratory [DE-AC52-07NA27344]; US National Science Foundation; Swedish
National Space Board
FX The work of M. D. Zelinka is supported by the Regional and Global
Climate Modeling Program of the Office of Science at the US Department
of Energy (DOE) and is performed under the auspices of the US DOE by
Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344.
The National Center for Atmospheric Research is sponsored by the US
National Science Foundation. P. Eriksson is supported by the Swedish
National Space Board. The TMPA data were provided by the NASA/Goddard
Space Flight Center's Mesoscale Atmospheric Processes Laboratory and
PPS, which develop and compute the TMPA as a contribution to TRMM. In
addition the CERES data were obtained from the NASA Langley Research
Center Atmospheric Science Data Center. The authors would also like to
acknowledge the NASA CloudSat project, which provided the
CloudSat-CALIPSO data set used in this project. We would especially like
to thank the anonymous reviewers, whose insights and critique of the
paper contributed greatly to its quality.
NR 45
TC 1
Z9 1
U1 0
U2 8
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 2014
VL 14
IS 16
BP 8701
EP 8721
DI 10.5194/acp-14-8701-2014
PG 21
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AP3QK
UT WOS:000341991600028
ER
PT J
AU Sindelarova, K
Granier, C
Bouarar, I
Guenther, A
Tilmes, S
Stavrakou, T
Muller, JF
Kuhn, U
Stefani, P
Knorr, W
AF Sindelarova, K.
Granier, C.
Bouarar, I.
Guenther, A.
Tilmes, S.
Stavrakou, T.
Muller, J. -F.
Kuhn, U.
Stefani, P.
Knorr, W.
TI Global data set of biogenic VOC emissions calculated by the MEGAN model
over the last 30 years
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID VOLATILE ORGANIC-COMPOUNDS; AMAZONIAN RAIN-FOREST; PHOTOSYNTHETICALLY
ACTIVE RADIATION; LAND-USE CHANGES; ISOPRENE EMISSION; COMPOUND
EMISSIONS; SATELLITE-OBSERVATIONS; MONOTERPENE EMISSION; NORTH-AMERICA;
ELEVATED CO2
AB The Model of Emissions of Gases and Aerosols from Nature (MEGANv2.1) together with the Modern-Era Retrospective Analysis for Research and Applications (MERRA) meteorological fields were used to create a global emission data set of biogenic volatile organic compounds (BVOC) available on a monthly basis for the time period of 1980-2010. This data set, developed under the Monitoring Atmospheric Composition and Climate project (MACC), is called MEGAN-MACC. The model estimated mean annual total BVOC emission of 760 Tg (C) yr(-1) consisting of isoprene (70 %), monoterpenes (11 %), methanol (6 %), acetone (3 %), sesquiterpenes (2.5 %) and other BVOC species each contributing less than 2 %.
Several sensitivity model runs were performed to study the impact of different model input and model settings on isoprene estimates and resulted in differences of up to +/-17% of the reference isoprene total. A greater impact was observed for a sensitivity run applying parameterization of soil moisture deficit that led to a 50% reduction of isoprene emissions on a global scale, most significantly in specific regions of Africa, South America and Australia.
MEGAN-MACC estimates are comparable to results of previous studies. More detailed comparison with other isoprene inventories indicated significant spatial and temporal differences between the data sets especially for Australia, Southeast Asia and South America. MEGAN-MACC estimates of isoprene, alpha-pinene and group of monoterpenes showed a reasonable agreement with surface flux measurements at sites located in tropical forests in the Amazon and Malaysia. The model was able to capture the seasonal variation of isoprene emissions in the Amazon forest.
C1 [Sindelarova, K.; Granier, C.] Univ Paris 06, Paris, France.
[Sindelarova, K.; Granier, C.] Univ Versailles St Quentin, Paris, France.
[Sindelarova, K.; Granier, C.] CNRS INSU, Paris, France.
[Sindelarova, K.; Granier, C.] LATMOS IPSL, Paris, France.
[Sindelarova, K.] Charles Univ Prague, Fac Math & Phys, Dept Meteorol & Environm Protect, Prague, Czech Republic.
[Granier, C.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA.
[Granier, C.] NOAA Earth Syst Res Lab, Div Chem Sci, Boulder, CO USA.
[Granier, C.; Bouarar, I.] Max Planck Inst Meteorol, D-20146 Hamburg, Germany.
[Guenther, A.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Tilmes, S.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
[Stavrakou, T.; Muller, J. -F.] Belgian Inst Space Aeron, Brussels, Belgium.
[Kuhn, U.] Max Planck Inst Chem, Biogeochem Dept, D-55128 Mainz, Germany.
[Stefani, P.] Univ Tuscia, Dept Forest Sci & Environm, Viterbo, Italy.
[Knorr, W.] Lund Univ, Dept Phys Geog & Ecosyst Sci, Lund, Sweden.
RP Sindelarova, K (reprint author), Univ Paris 06, Paris, France.
EM katerina.sindelarova@latmos.ipsl.fr
RI Granier, Claire/D-5360-2013; Kuhn, Uwe/C-4830-2013; Guenther,
Alex/B-1617-2008; Manager, CSD Publications/B-2789-2015
OI Granier, Claire/0000-0001-7344-7995; Guenther, Alex/0000-0001-6283-8288;
FU European Commission under EU [283576, 265148]; Laboratory Directed
Research and Development Program at PNNL; project PRODEX-A3C - Belgian
Science Policy Office; project GlobEmission - ESA; Max Planck Institute
for Chemistry in Mainz, Germany; National Science Foundation
FX This study was funded by the European Commission under the EU Seventh
Research Framework Programme, under grant agreements no. 283576 (MACC II
Project) and no. 265148 (PEGASOS project). A. Guenther was supported
under the Laboratory Directed Research and Development Program at PNNL.
TS and JFM were supported by projects PRODEX-A3C funded by the Belgian
Science Policy Office and GlobEmission funded by ESA. MERRA data were
provided by the Global Modeling and Assimilation Office (GMAO) at NASA
Goddard Space Flight Center through the NASA GES DISC online archive.
The satellite derived PAR data were provided by the University of
Maryland, Department of Atmospheric and Oceanic Science, Radiation
Budget team (R. T. Pinker, PI). The Large-Scale Biosphere-Atmosphere
Experiment in Amazonia - Cooperative LBA Airborne Regional Experiment
(LBA-CLAIRE-2001) was partially funded by the Max Planck Institute for
Chemistry in Mainz, Germany. The National Center for Atmospheric
Research is funded by the National Science Foundation. We thank A.
Arneth for her advice on the manuscript and on the generation of the
GUESS-ES data set, as well as the two anonymous reviewers and the editor
for their constructive comments and suggestions.
NR 108
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Z9 57
U1 14
U2 71
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 2014
VL 14
IS 17
BP 9317
EP 9341
DI 10.5194/acp-14-9317-2014
PG 25
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AP3QO
UT WOS:000341992000030
ER
PT J
AU Glotfelty, T
Zhang, Y
Karamchandani, P
Streets, DG
AF Glotfelty, T.
Zhang, Y.
Karamchandani, P.
Streets, D. G.
TI Will the role of intercontinental transport change in a changing
climate?
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID AIR-QUALITY; SURFACE OZONE; NORTH-AMERICA; POLLUTION TRANSPORT; ISOPRENE
EMISSIONS; SOURCE ATTRIBUTION; TIBETAN PLATEAU; UNITED-STATES; SEA-SALT;
AEROSOLS
AB Intercontinental transport of atmospheric pollution (ITAP) can offset the impact of local emission control efforts, impact human and ecosystem health, and play a role in climate forcing. This study aims to determine the role of ITAP caused by East Asian anthropogenic emissions (EAAEs) under current and future emission and climate scenarios. The contribution from EAAEs is determined using a "brute force method" in which results from simulations with and without EAAEs are compared. ITAP from East Asia is enhanced in the future due to faster wind speeds aloft and a stronger low pressure center near eastern Russia that facilitate enhanced westerly export in the free troposphere and stronger southerly transport near the surface, increased gaseous precursor emissions, and increased temperatures. As a result, the contribution of ozone (O-3) generated by EAAEs to the global average O-3 mixing ratio increases by similar to 0.8 ppb from 1.2 ppb in 2001 to 2.0 ppb in 2050. The contribution of PM2.5 generated by EAAEs to the global PM2.5 level increases by similar to 0.07 mu g m(-3) from 0.32 mu g m(-3) in 2001 to 0.39 mu g m(-3) in 2050, despite a non-homogenous response in PM2.5 resulting from cloud and radiative feedbacks. EAAEs can increase East Asian biogenic secondary organic aerosol by 10-81 %, indicating that it is largely controllable. EAAEs also increase the deposition of nitrogen, black carbon, and mercury both locally and downwind, implying that they may play a role in climate feedbacks and ecosystem health of these regions. These results show that EAAEs have a large impact on global air quality and climate, especially on downwind regions. Such impacts may be enhanced under future climate and emission scenarios, demonstrating a need to synergize global pollution control and climate mitigation efforts.
C1 [Glotfelty, T.; Zhang, Y.] N Carolina State Univ, Dept Marine Earth & Atmospher Sci, Raleigh, NC 27695 USA.
[Karamchandani, P.] ENVIRON Int Corp, Novato, CA USA.
[Streets, D. G.] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA.
RP Zhang, Y (reprint author), N Carolina State Univ, Dept Marine Earth & Atmospher Sci, Box 8208, Raleigh, NC 27695 USA.
EM yang_zhang@ncsu.edu
OI Karamchandani, Prakash/0000-0001-6864-2219
FU United States Environmental Protection Agency Science to Achieve Results
program [R83337601]; National Sciences Foundation (NSF)/United State
Department of Agriculture Earth System Modeling program at NCSU
[AGS-1049200]; National Sciences Foundation (NSF)/United State
Department of Agriculture Earth System Modeling program at the
University of Chicago/ANL [2012-67003-30192]
FX This work is supported by United States Environmental Protection Agency
Science to Achieve Results program grant no. R83337601 and the National
Sciences Foundation (NSF)/United State Department of Agriculture Earth
System Modeling program grant no. AGS-1049200 at NCSU and
2012-67003-30192 at the University of Chicago/ANL. Thanks are due to
Mark Richardson at Caltech and William C. Skamarock at NCAR, for
developing global WRF on which the GU-WRF/Chem is based; Louisa Emmons
and Francis Vitt at NCAR for providing CAM4 and MOZART4 emissions.
Thanks are also due to Shuai Zhu, a former postdoc researcher at NCSU,
for adding the deposition fluxes in the model output.
NR 83
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PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2014
VL 14
IS 17
BP 9379
EP 9402
DI 10.5194/acp-14-9379-2014
PG 24
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AP3QO
UT WOS:000341992000033
ER
PT J
AU Matsui, H
Koike, M
Kondo, Y
Takami, A
Fast, JD
Kanaya, Y
Takigawa, M
AF Matsui, H.
Koike, M.
Kondo, Y.
Takami, A.
Fast, J. D.
Kanaya, Y.
Takigawa, M.
TI Volatility basis-set approach simulation of organic aerosol formation in
East Asia: implications for anthropogenic-biogenic interaction and
controllable amounts
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID CHEMICAL-TRANSPORT MODEL; MASS-SPECTROMETER; SEASONAL-VARIATIONS;
SECONDARY; ATMOSPHERE; EMISSIONS; SEMIVOLATILE; CAMPAIGN; CHINA; FIELD
AB Organic aerosol (OA) simulations using the volatility basis-set approach were made for East Asia and its outflow region. Model simulations were evaluated through comparisons with OA measured by aerosol mass spectrometers in and around Tokyo (at Komaba and Kisai in summer 2003 and 2004) and over the outflow region in East Asia (at Fukue and Hedo in spring 2009). The simulations with aging processes of organic vapors reproduced the mass concentrations, temporal variations, and formation efficiencies of observed OA at all of the sites reasonably well. As OA mass was severely underestimated in the simulations without the aging processes, the oxidations of organic vapors are essential for reasonable OA simulations over East Asia. By considering the aging processes, simulated OA concentrations increased from 0.24 to 1.28 mu g m(-3) in the boundary layer over the whole of East Asia. OA formed from the interaction of anthropogenic and biogenic sources was also enhanced by the aging processes. The fraction of controllable OA was estimated to be 87% of total OA over the whole of East Asia, which indicated that most of the OA in our simulations were formed anthropogenically (from controllable combustion sources). A large portion of biogenic secondary OA (78% of biogenic secondary OA) was formed through the influence of anthropogenic sources. These fractions were higher than the fraction of anthropogenic emissions. An important reason for these higher controllable fractions was higher oxidant concentrations and the resulting faster oxidation rates of OA precursors by considering anthropogenic sources. Both the amounts (from 0.18 to 1.12 mu gm(-3)) and the fraction (from 75 to 87 %) of controllable OA were increased by aging processes of organic vapors over East Asia.
C1 [Matsui, H.; Kanaya, Y.; Takigawa, M.] Japan Agcy Marine Earth Sci & Technol, Dept Environm Geochem Cycle Res, Tokyo, Kanagawa, Japan.
[Koike, M.; Kondo, Y.] Univ Tokyo, Dept Earth & Planetary Sci, Grad Sch Sci, Tokyo, Japan.
[Takami, A.] Natl Inst Environm Studies, Ibaraki, Japan.
[Fast, J. D.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Matsui, H (reprint author), Japan Agcy Marine Earth Sci & Technol, Dept Environm Geochem Cycle Res, Tokyo, Kanagawa, Japan.
EM matsui@jamstec.go.jp
RI Kanaya, Yugo/C-7446-2012
FU Ministry of Education, Culture, Sports, Science, and Technology; Japan
Society for the Promotion of Science (MEXT/JSPS) KAKENHI [26740014,
23221001]; GRENE Arctic Climate Change Research Project; Japan Science
and Technology Agency; global environment research fund of the Ministry
of the Environment, Japan [2A-1101, 2-1403]; Alliance for Global
Sustainability project of the University of Tokyo; US Department of
Energy (DOE) Atmospheric System Research (ASR) program [DE-AC06-76RLO
1830]
FX This work was supported by the Ministry of Education, Culture, Sports,
Science, and Technology and the Japan Society for the Promotion of
Science (MEXT/JSPS) KAKENHI grant numbers 26740014 and 23221001 and the
GRENE Arctic Climate Change Research Project. This work was also
supported by the strategic international cooperative program of the
Japan Science and Technology Agency, by the global environment research
fund of the Ministry of the Environment, Japan (2A-1101 and 2-1403), and
by the Alliance for Global Sustainability project of the University of
Tokyo. J. D. Fast was supported by the US Department of Energy (DOE)
Atmospheric System Research (ASR) program under contract DE-AC06-76RLO
1830 at PNNL. PNNL is operated for the US DOE by Battelle Memorial
Institute. The authors thank Nobuyuki Takegawa at the Research Center
for Advanced Science and Technology, University of Tokyo (now at the
Department of Chemistry, Tokyo Metropolitan University), for providing
the AMS observation data at the Komaba and Kisai sites during the IMPACT
campaign. For a portion of the simulations, we used the supercomputer
systems in the University of Tokyo and in the Japan Agency for
Marine-Earth Science and Technology.
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PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2014
VL 14
IS 18
BP 9513
EP 9535
DI 10.5194/acp-14-9513-2014
PG 23
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AP3QX
UT WOS:000341993100004
ER
PT J
AU Fast, JD
Allan, J
Bahreini, R
Craven, J
Emmons, L
Ferrare, R
Hayes, PL
Hodzic, A
Holloway, J
Hostetler, C
Jimenez, JL
Jonsson, H
Liu, S
Liu, Y
Metcalf, A
Middlebrook, A
Nowak, J
Pekour, M
Perring, A
Russell, L
Sedlacek, A
Seinfeld, J
Setyan, A
Shilling, J
Shrivastava, M
Springston, S
Song, C
Subramanian, R
Taylor, JW
Vinoj, V
Yang, Q
Zaveri, RA
Zhang, Q
AF Fast, J. D.
Allan, J.
Bahreini, R.
Craven, J.
Emmons, L.
Ferrare, R.
Hayes, P. L.
Hodzic, A.
Holloway, J.
Hostetler, C.
Jimenez, J. L.
Jonsson, H.
Liu, S.
Liu, Y.
Metcalf, A.
Middlebrook, A.
Nowak, J.
Pekour, M.
Perring, A.
Russell, L.
Sedlacek, A.
Seinfeld, J.
Setyan, A.
Shilling, J.
Shrivastava, M.
Springston, S.
Song, C.
Subramanian, R.
Taylor, J. W.
Vinoj, V.
Yang, Q.
Zaveri, R. A.
Zhang, Q.
TI Modeling regional aerosol and aerosol precursor variability over
California and its sensitivity to emissions and long-range transport
during the 2010 CalNex and CARES campaigns
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID SECONDARY ORGANIC AEROSOL; AIRBORNE PARTICULATE MATTER;
SPECTRAL-RESOLUTION LIDAR; PM10/PM2.5 AIR-QUALITY; BASIS-SET APPROACH;
LOS-ANGELES BASIN; UNITED-STATES; MEXICO-CITY; CARBONACEOUS AEROSOL;
OPTICAL-PROPERTIES
AB The performance of the Weather Research and Forecasting regional model with chemistry (WRF-Chem) in simulating the spatial and temporal variations in aerosol mass, composition, and size over California is quantified using the extensive meteorological, trace gas, and aerosol measurements collected during the California Nexus of Air Quality and Climate Experiment (CalNex) and the Carbonaceous Aerosol and Radiative Effects Study (CARES) conducted during May and June of 2010. The overall objective of the field campaigns was to obtain data needed to better under-stand processes that affect both climate and air quality, including emission assessments, transport and chemical aging of aerosols, aerosol radiative effects. Simulations were performed that examined the sensitivity of aerosol concentrations to anthropogenic emissions and to long-range transport of aerosols into the domain obtained from a global model. The configuration of WRF-Chem used in this study is shown to reproduce the overall synoptic conditions, thermally driven circulations, and boundary layer structure observed in region that controls the transport and mixing of trace gases and aerosols. Reducing the default emissions inventory by 50% led to an overall improvement in many simulated trace gases and black carbon aerosol at most sites and along most aircraft flight paths; however, simulated organic aerosol was closer to observed when there were no adjustments to the primary organic aerosol emissions. We found that sulfate was better simulated over northern California whereas nitrate was better simulated over southern California. While the overall spatial and temporal variability of aerosols and their precursors were simulated reasonably well, we show cases where the local transport of some aerosol plumes were either too slow or too fast, which adversely affects the statistics quantifying the differences between observed and simulated quantities. Comparisons with lidar and in situ measurements indicate that long-range transport of aerosols from the global model was likely too high in the free troposphere even though their concentrations were relatively low. This bias led to an over-prediction in aerosol optical depth by as much as a factor of 2 that offset the under-predictions of boundary-layer extinction resulting primarily from local emissions. Lowering the boundary conditions of aerosol concentrations by 50% greatly reduced the bias in simulated aerosol optical depth for all regions of California. This study shows that quantifying regional-scale variations in aerosol radiative forcing and determining the relative role of emissions from local and distant sources is challenging during 'clean' conditions and that a wide array of measurements are needed to ensure model predictions are correct for the right reasons. In this regard, the combined CalNex and CARES data sets are an ideal test bed that can be used to evaluate aerosol models in great detail and develop improved treatments for aerosol processes.
C1 [Fast, J. D.; Liu, Y.; Pekour, M.; Shilling, J.; Shrivastava, M.; Song, C.; Vinoj, V.; Yang, Q.; Zaveri, R. A.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Allan, J.; Taylor, J. W.] Univ Manchester, Sch Atmospher & Environm Sci, Manchester, Lancs, England.
[Bahreini, R.; Hayes, P. L.; Holloway, J.; Jimenez, J. L.; Perring, A.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA.
[Bahreini, R.; Holloway, J.; Middlebrook, A.; Perring, A.] NOAA, Earth Syst Res Lab, Boulder, CO USA.
[Craven, J.; Metcalf, A.; Seinfeld, J.] CALTECH, Pasadena, CA 91125 USA.
[Emmons, L.; Hodzic, A.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
[Ferrare, R.; Hostetler, C.] NASA, Langley Res Ctr, Hampton, VA 23665 USA.
[Jonsson, H.] Ctr Interdisciplinary Remotely Piloted Aerosol St, Marina, CA USA.
[Liu, S.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Nowak, J.] Aerodyne Res Inc, Billerica, MA USA.
[Russell, L.] Univ Calif San Diego, Scripps Inst Oceanog, San Diego, CA 92103 USA.
[Sedlacek, A.; Springston, S.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Subramanian, R.] Carnegie Mellon Univ, Dept Mech Engn, Pittsburgh, PA 15213 USA.
[Setyan, A.; Zhang, Q.] Univ Calif Davis, Dept Environm Toxicol, Davis, CA 95616 USA.
RP Fast, JD (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM jerome.fast@pnnl.gov
RI Emmons, Louisa/R-8922-2016; Manager, CSD Publications/B-2789-2015;
Middlebrook, Ann/E-4831-2011; Setyan, Ari/C-4025-2011; Allan,
James/B-1160-2010; Hodzic, Alma/C-3629-2009; Yang, Qing/H-3275-2011;
Holloway, John/F-9911-2012; Zhang, Qi/F-9653-2010; Nowak,
John/B-1085-2008; Shilling, John/L-6998-2015; Perring, Anne/G-4597-2013;
Liu, Shang/F-9085-2011; Zaveri, Rahul/G-4076-2014; Jimenez,
Jose/A-5294-2008
OI Emmons, Louisa/0000-0003-2325-6212; Taylor,
Jonathan/0000-0002-2120-186X; Vinoj, V./0000-0001-8573-6073;
Middlebrook, Ann/0000-0002-2984-6304; Setyan, Ari/0000-0002-9078-6478;
Allan, James/0000-0001-6492-4876; Yang, Qing/0000-0003-2067-5999;
Holloway, John/0000-0002-4585-9594; Nowak, John/0000-0002-5697-9807;
Shilling, John/0000-0002-3728-0195; Perring, Anne/0000-0003-2231-7503;
Liu, Shang/0000-0002-3403-8651; Zaveri, Rahul/0000-0001-9874-8807;
Jimenez, Jose/0000-0001-6203-1847
FU National Oceanographic and Atmospheric Administration (NOAA); National
Aeronautics and Space Administration (NASA) Radiation Sciences and
Tropospheric Chemistry program; US Department of Energy's (DOE); CARB
[11-305]; DOE (BER/ASR) [DE-SC0006035]; CIRES; US NOAA's Atmospheric
Composition and Climate Program [NA11OAR4310160]; Battelle Memorial
Institute [DE-AC05-76RL01830]
FX We thank the numerous scientists (including R. Cohen, A. Goldstein, J.
de Gouw, T. Ryerson, I. Pollack, and C. Warneke), pilots, and other
staff that contributed to the data collection during CalNex and CARES.
CalNex was sponsored by the National Oceanographic and Atmospheric
Administration (NOAA) Climate Change and Air Quality programs, the
National Aeronautics and Space Administration (NASA) Radiation Sciences
and Tropospheric Chemistry program, and the California Air Resources
Board. CARES was supported by the US Department of Energy's (DOE)
Atmospheric Radiation Measurement (ARM) and Atmospheric System Research
(ASR) programs. Patrick Hayes and Jose Jimenez were partially supported
by CARB 11-305 and DOE (BER/ASR) DE-SC0006035 and Patrick Hayes was also
partially supported by a CIRES Visiting Postdoctoral Fellowship. We
thank Elaine Chapman for providing comments on this manuscript. Funding
for this research has been provided by the US NOAA's Atmospheric
Composition and Climate Program (NA11OAR4310160) and DOE's ASR program
and utilized resources provided by the Pacific Northwest National
Laboratory (PNNL) Institutional Computing program. PNNL is operated for
the US DOE by Battelle Memorial Institute under contract
DE-AC05-76RL01830.
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PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2014
VL 14
IS 18
BP 10013
EP 10060
DI 10.5194/acp-14-10013-2014
PG 48
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AP3QX
UT WOS:000341993100034
ER
PT J
AU Jagadamma, S
Mayes, MA
Steinweg, JM
Schaeffer, SM
AF Jagadamma, S.
Mayes, M. A.
Steinweg, J. M.
Schaeffer, S. M.
TI Substrate quality alters the microbial mineralization of added substrate
and soil organic carbon
SO BIOGEOSCIENCES
LA English
DT Article
ID PHOSPHOLIPID FATTY-ACIDS; COMMUNITY COMPOSITION; LITTER DECOMPOSITION;
HUMIC SUBSTANCES; BIOMASS-C; MATTER; TEMPERATURE; GLUCOSE; RHIZOSPHERE;
MECHANISMS
AB The rate and extent of decomposition of soil organic carbon (SOC) is dependent, among other factors, on substrate chemistry and microbial dynamics. Our objectives were to understand the influence of substrate chemistry on microbial decomposition of carbon (C), and to use model fitting to quantify differences in pool sizes and mineralization rates. We conducted an incubation experiment for 270 days using four uniformly labeled C-14 substrates (glucose, starch, cinnamic acid and stearic acid) on four different soils (a temperate Mollisol, a tropical Ultisol, a sub-arctic Andisol, and an arctic Gelisol). The C-14 labeling enabled us to separate CO2 respired from added substrates and from native SOC. Microbial gene copy numbers were quantified at days 4, 30 and 270 using quantitative polymerase chain reaction (qPCR). Substrate C respiration was always higher for glucose than other substrates. Soils with cinnamic and stearic acid lost more native SOC than glucose-and starch-amended soils. Cinnamic and stearic acid amendments also exhibited higher fungal gene copy numbers at the end of incubation compared to unamended soils. We found that 270 days were sufficient to model the decomposition of simple substrates (glucose and starch) with three pools, but were insufficient for more complex substrates (cinnamic and stearic acid) and native SOC. This study reveals that substrate quality exerts considerable control on the microbial decomposition of newly added and native SOC, and demonstrates the need for multi-year incubation experiments to constrain decomposition parameters for the most recalcitrant fractions of SOC and complex substrates.
C1 [Jagadamma, S.; Mayes, M. A.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
[Jagadamma, S.; Mayes, M. A.; Steinweg, J. M.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA.
[Steinweg, J. M.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
[Steinweg, J. M.] Univ Wisconsin Baraboo Sauk Cty, Dept Biol Sci, Baraboo, WI 53913 USA.
[Schaeffer, S. M.] Univ Tennessee, Dept Biosyst Engn & Soil Sci, Knoxville, TN 37996 USA.
RP Jagadamma, S (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA.
EM jagadammas@ornl.gov
RI Schaeffer, Sean/G-5071-2012;
OI Schaeffer, Sean/0000-0002-9684-2952
FU Laboratory Directed Research and Development (LDRD) program of the Oak
Ridge National Laboratory (ORNL); US Department of Energy Biological and
Environmental Research Terrestrial Ecosystem Sciences program; US
Department of Energy [DE-AC05-00OR22725]; CNPq
FX This research was funded in part by the Laboratory Directed Research and
Development (LDRD) program of the Oak Ridge National Laboratory (ORNL),
and by the US Department of Energy Biological and Environmental Research
Terrestrial Ecosystem Sciences program. ORNL is managed by UT-Battelle,
LLC, for the US Department of Energy under contract DE-AC05-00OR22725.
We thank Stan Wullschleger, Anna Wagner, Julie Jastrow, Yuri Zinn and
Gudrun Gisladottir for providing soil samples, and Chad Covert, Jana
Phillips and Jennifer Dabbs for help with laboratory analyses.
Collection and processing of soil samples from Brazil was supported by
CNPq. We also thank two anonymous reviewers for their constructive
comments.
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PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
EI 1726-4189
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2014
VL 11
IS 17
BP 4665
EP 4678
DI 10.5194/bg-11-4665-2014
PG 14
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA AP5JR
UT WOS:000342116000008
ER
PT J
AU Guilderson, TP
Tumey, SJ
Brown, TA
Buesseler, KO
AF Guilderson, T. P.
Tumey, S. J.
Brown, T. A.
Buesseler, K. O.
TI The 129-iodine content of subtropical Pacific waters: impact of
Fukushima and other anthropogenic 129-iodine sources
SO BIOGEOSCIENCES
LA English
DT Article
ID CALIFORNIA CURRENT SYSTEM; TOTAL IODINE; SEA-WATER; I-129; SEAWATER;
OCEAN; JAPAN; RADIONUCLIDES; ACCIDENT; I-129/I-127
AB Results obtained from a dedicated radiochemistry cruise approximately 100 days after the 11 March 2011 Tohoku earthquake and subsequent disaster at the Fukushima Daiichi Nuclear Power Plant show that Fukushima derived radionuclides in the nearby ocean environment had penetrated, on average, to <= 250m depth (1026.5 kgm(3) potential density surface). The excess inventory of Fukushima-derived I-129 in the region (similar to 150 000 km(2)) sampled during the cruise is estimated to have been between 0.89 and 1.173 billion Bq (similar to 136 to similar to 179 grams) of I-129. Based on a tight tracer-tracer relation with Cs-134 (or Cs-137) and estimates that most of the excess cesium is due to direct discharge, we infer that much of the excess I-129 is from direct (non-atmospheric deposition) discharge. After taking into account oceanic transport, we estimate the direct discharge, i. e., that directly released into the ocean, off Fukushima to have been similar to 1 kg I-129. Although this small pulse is dwarfed by the similar to 90 kg of weaponstesting- derived I-129 that was released into the environment in the late 1950s and early 1960s, it should be possible to use Fukushima-derived I-129 and other radionuclides (e. g., Cs-134,Cs-137) to study transport and entrainment processes along and across the Kuroshio Current.
C1 [Guilderson, T. P.; Tumey, S. J.; Brown, T. A.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA.
[Guilderson, T. P.] Univ Calif Santa Cruz, Dept Ocean Sci, Santa Cruz, CA 95064 USA.
[Guilderson, T. P.] Univ Calif Santa Cruz, Inst Marine Sci, Santa Cruz, CA 95064 USA.
[Buesseler, K. O.] Woods Hole Oceanog Inst, Dept Marine Chem & Geochem, Woods Hole, MA 02543 USA.
RP Guilderson, TP (reprint author), Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA.
EM tguilderson@llnl.gov
FU Gordon and Betty Moore Foundation [GBMF3007]; NOAA OGP; U.S. Department
of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]
FX We are grateful to the captain and crew of the R/V Ka'imikai-o-Kanaloa
and all participants of the science party for a successful cruise. We
are especially grateful to the University of Hawaii Marine Center and
SOEST who rescheduled an existing cruise to give the Fukushima
expedition priority. S Pike (WHOI) and T Broek (UCSC) coordinated the
sea-going sampling. We thank M Aoyama and P Povinec for providing a
subset of data tables. The R/V Bosei Maru CTD data for the IAEA 97
cruise were courteously provided by Y Niimura of the Japanese
Oceanographic Data Center. P Durack generated the MCSST raster image in
Fig. 1a. The final manuscript benefited from the comments and criticisms
of X. Hou, P. Povinec, G. Snyder, and two anonymous reviewers. In the
laboratory we thank H Seidler and A Glimme, both high school science
teachers who, through the Edward Teller Education Center (LLNL),
assisted in iodine separation chemistry. A significant portion of this
research was funded by the Gordon and Betty Moore Foundation through
Grant GBMF3007 to K. Buesseler. OOCL Tokyo samples were courtesy of P
Quay and H Palevsky (University of Washington) and collected under
funding provided by NOAA OGP. This work was performed under the auspices
of the U.S. Department of Energy by Lawrence Livermore National
Laboratory under contract DE-AC52-07NA27344. Data will be digitally
archived at the Biological and Chemical Oceanography Data Management
Office; this is LLNL-JRNL-644922.
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PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
EI 1726-4189
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2014
VL 11
IS 17
BP 4839
EP 4852
DI 10.5194/bg-11-4839-2014
PG 14
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA AP5JR
UT WOS:000342116000020
ER
PT J
AU Alia, SM
Yan, YS
Pivovar, BS
AF Alia, S. M.
Yan, Y. S.
Pivovar, B. S.
TI Galvanic displacement as a route to highly active and durable extended
surface electrocatalysts
SO CATALYSIS SCIENCE & TECHNOLOGY
LA English
DT Article
ID OXYGEN REDUCTION REACTION; PLATINUM-MONOLAYER ELECTROCATALYSTS; HYDROGEN
OXIDATION REACTION; ANION-EXCHANGE MEMBRANES; COATED COPPER NANOWIRES;
SINGLE-CRYSTAL SURFACES; SIZE-DEPENDENT ACTIVITY; FUEL-CELL;
ALKALINE-SOLUTIONS; REACTION CATALYSTS
AB Spontaneous galvanic displacement has been utilized in the development of novel electrocatalysts. The process occurs when a less noble metal template contacts a more noble metal cation and combines aspects of corrosion and electrodeposition. The cost of platinum (Pt) limits the commercial deployment of proton exchange membrane fuel cells. Although carbon-supported Pt typically has a moderate mass activity for oxygen reduction, it is limited by a relatively modest specific activity (activity per unit surface area). Conversely, extended Pt surfaces typically have high specific activity for oxygen reduction but commonly have low surface areas. Catalysts formed by spontaneous galvanic displacement are ideally situated, being able to take advantage of the specific activities generally associated with the catalyst type while significantly improving upon the surface area. In addition to acidic oxygen reduction, spontaneous galvanic displacement has been used in the development of catalysts for a variety of electrochemical reactions: hydrogen oxidation, alcohol oxidation, and basic oxygen reduction. Materials for these reactions have been incorporated into this perspective. Spontaneous galvanic displacement is a promising route in catalyst synthesis and cases exist where these electrocatalysts have demonstrated state-of-the-art performance.
C1 [Alia, S. M.; Pivovar, B. S.] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA.
[Yan, Y. S.] Univ Delaware, Dept Chem & Biomol Engn, Newark, DE 19716 USA.
RP Alia, SM (reprint author), Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA.
EM yanys@udel.edu; bryan.pivovar@nrel.gov
FU U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy [DE-AC36-08GO28308]
FX Financial support is provided by the U.S. Department of Energy, Office
of Energy Efficiency and Renewable Energy, through contract numbers
DE-AC36-08GO28308 to the National Renewable Energy Laboratory.
NR 54
TC 17
Z9 17
U1 2
U2 29
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 2014
VL 4
IS 10
BP 3589
EP 3600
DI 10.1039/c4cy00736k
PG 12
WC Chemistry, Physical
SC Chemistry
GA AP2VU
UT WOS:000341934700017
ER
PT J
AU Lu, XJ
Wu, G
Howard, JW
Chen, AP
Zhao, YS
Daemen, LL
Jia, QX
AF Lu, Xujie
Wu, Gang
Howard, John W.
Chen, Aiping
Zhao, Yusheng
Daemen, Luke L.
Jia, Quanxi
TI Li-rich anti-perovskite Li3OCl films with enhanced ionic conductivity
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID BATTERIES; THIN; ELECTROLYTES
AB Anti-perovskite solid electrolyte films were prepared by pulsed laser deposition, and their room-temperature ionic conductivity can be improved by more than an order of magnitude in comparison with its bulk counterpart. The cyclability of Li3OCl films in contact with lithium was evaluated using a Li/Li3OCl/Li symmetric cell, showing self-stabilization during cycling test.
C1 [Lu, Xujie; Wu, Gang; Howard, John W.; Chen, Aiping; Daemen, Luke L.; Jia, Quanxi] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Lu, Xujie; Howard, John W.; Zhao, Yusheng] Univ Nevada, Las Vegas, NV 89154 USA.
RP Lu, XJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM xujie@lanl.gov; yusheng.zhao@unlv.edu; qxjia@lanl.gov
RI Wu, Gang/E-8536-2010; Lu, Xujie/L-9672-2014; Chen, Aiping/F-3212-2011
OI Wu, Gang/0000-0003-4956-5208; Lu, Xujie/0000-0001-8402-7160; Chen,
Aiping/0000-0003-2639-2797
FU Advanced Research Projects Agency-Energy (ARPA-E), U.S. Department of
Energy [DE-AR0000347]
FX The information, data, or work presented herein was funded in part by
the Advanced Research Projects Agency-Energy (ARPA-E), U.S. Department
of Energy, under Award Number DE-AR0000347. The work at Los Alamos
National Laboratory was performed, in part, at the Center for Integrated
Nanotechnologies, an Office of Science User Facility operated for the
U.S. Department of Energy (DOE) Office of Science.
NR 19
TC 21
Z9 21
U1 13
U2 91
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 2014
VL 50
IS 78
BP 11520
EP 11522
DI 10.1039/c4cc05372a
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA AP0SL
UT WOS:000341774200021
PM 25132213
ER
PT J
AU Leguy, GR
Asay-Davis, XS
Lipscomb, WH
AF Leguy, G. R.
Asay-Davis, X. S.
Lipscomb, W. H.
TI Parameterization of basal friction near grounding lines in a
one-dimensional ice sheet model
SO CRYOSPHERE
LA English
DT Article
ID WEST ANTARCTICA; STREAM-B; SUBGLACIAL LAKES; SHELF MODEL; FLOW;
DYNAMICS; GLACIER; IMPLEMENTATION; SENSITIVITY; MECHANICS
AB Ice sheets and ice shelves are linked by the transition zone, the region where flow dominated by vertical shear stress makes a transition to flow dominated by extensional stress. Adequate resolution of the transition zone is necessary for numerically accurate ice sheet-ice shelf simulations. The required resolution depends on how the basal physics is parameterized. We propose a new, simple parameterization of the effective pressure near the grounding line, combined with an existing friction law linking effective pressure to basal stress and sliding, in a one-dimensional, fixed-grid, vertically integrated model. This parameterization represents connectivity between the basal hydrological system and the ocean in the transition zone. Our model produces a smooth transition between finite basal friction in the ice sheet and zero basal friction in the ice shelf. In a set of experiments based on the Marine Ice Sheet Model Intercomparison Project (MISMIP), we show that with a smoother basal shear stress, the model yields accurate steady-state results at a fixed-grid resolution of similar to 1 km.
C1 [Leguy, G. R.] New Mexico Inst Min & Technol, Socorro, NM 87501 USA.
[Leguy, G. R.; Asay-Davis, X. S.; Lipscomb, W. H.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Asay-Davis, X. S.] NYU, Courant Inst Math Sci, New York, NY 10012 USA.
[Asay-Davis, X. S.] Potsdam Inst Climate Impact Res, D-14473 Potsdam, Germany.
RP Leguy, GR (reprint author), New Mexico Inst Min & Technol, 801 Leroy Pl, Socorro, NM 87501 USA.
EM gunter@nmt.edu
OI Asay-Davis, Xylar/0000-0002-1990-892X
FU Earth System Modeling and Scientific Discovery through Advanced
Computing (SciDAC) programs funded by the US Department of Energy,
Office of Science, Biological and Environmental Research and Advanced
Scientific Computing Research; DOE National Nuclear Security
Administration [DE-AC52-06NA25396]
FX This work was supported by the Earth System Modeling and Scientific
Discovery through Advanced Computing (SciDAC) programs funded by the US
Department of Energy, Office of Science, Biological and Environmental
Research and Advanced Scientific Computing Research. The Los Alamos
National Laboratory is operated by the DOE National Nuclear Security
Administration under Contract DE-AC52-06NA25396. The authors would like
to thank Christian Schoof, Matt Hoffman, Steve Price and Ed Bueler for
fruitful conversation. The authors also thank Rupert Gladstone, Frank
Pattyn, an anonymous reviewer, and the editor, Olivier Gagliardini, for
detailed comments that have improved the paper.
NR 48
TC 8
Z9 8
U1 0
U2 3
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1994-0416
EI 1994-0424
J9 CRYOSPHERE
JI Cryosphere
PY 2014
VL 8
IS 4
BP 1239
EP 1259
DI 10.5194/tc-8-1239-2014
PG 21
WC Geography, Physical; Geosciences, Multidisciplinary
SC Physical Geography; Geology
GA AO8RU
UT WOS:000341622700009
ER
PT S
AU Sathre, R
Gonzalez-Garcia, S
AF Sathre, R.
Gonzalez-Garcia, S.
BE PachecoTorgal, F
Cabeza, LF
Labrincha, J
DeMagalhaes, A
TI Life cycle assessment (LCA) of wood-based building materials
SO ECO-EFFICIENT CONSTRUCTION AND BUILDING MATERIALS: LIFE CYCLE ASSESSMENT
(LCA), ECO-LABELLING AND CASE STUDIES
SE Woodhead Publishing Series in Civil and Structural Engineering
LA English
DT Article; Book Chapter
DE wood-based products; life cycle assessment; forestry; eco-design;
climate change mitigation
ID ENVIRONMENTAL PERFORMANCE; FOREST MANAGEMENT; PRODUCT DESIGN;
ECO-INNOVATION; ENERGY; CONSTRUCTION; SUBSTITUTION; FURNITURE; BIOMASS;
IMPROVEMENT
AB In this chapter we discuss major issues regarding life cycle assessment (LCA) and environmental performance analysis of wood-based building materials. We follow the life cycle of a wood product, beginning with a discussion of sustainable forestry and the growth of trees. We then discuss the processes of manufacturing wood-based building products, focusing on issues of adhesives and preservatives. We discuss the design and construction of buildings and infrastructure made of wood, with an emphasis on eco-design processes. We describe the system-wide material and energy flows associated with wood-based construction in a life cycle perspective, and discuss the climate benefits of using wood material from sustainably managed forests.
C1 [Sathre, R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Gonzalez-Garcia, S.] Univ Santiago de Compostela, Dept Chem Engn, Sch Engn, Santiago De Compostela 15782, Spain.
RP Sathre, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM rsathre@lbl.gov; sara.gez.garcia@gmail.com
OI Gonzalez-Garcia, Sara/0000-0002-2553-0863
NR 87
TC 4
Z9 4
U1 1
U2 10
PU WOODHEAD PUBL LTD
PI CAMBRIDGE
PA ABINGTON HALL ABINGTON, CAMBRIDGE CB1 6AH, CAMBS, ENGLAND
SN 2052-4714
BN 978-0-85709-772-9; 978-0-85709-767-5
J9 WOOD PUBL SER CIVIL
PY 2014
IS 49
BP 311
EP 337
DI 10.1533/9780857097729.2.311
PG 27
WC Construction & Building Technology; Engineering, Civil
SC Construction & Building Technology; Engineering
GA BB2FL
UT WOS:000341722900014
ER
PT J
AU Saad, L
Feteha, MY
Ebrahim, S
Soliman, M
Fettah, TMA
AF Saad, Laila
Feteha, M. Y.
Ebrahim, Sh
Soliman, Moataz
Fettah, Tarek M. Abdel
TI Dye Sensitized Solar Cell Based on Polyaniline-Carbon Nanotubes/Graphite
Composite
SO ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY
LA English
DT Article
ID COUNTER ELECTRODE; NANOTUBE; TEMPERATURE
AB In this work, polyanil ine (PANT) base-single wall carbon nanotubes (SWCNTs) composite counter electrode (CE) and N3 ruthenium dye sensitized TiO2, prepared using hydrothermal method, photoelectrode were assembled to form a dye sensitized solar cell (DSSC). Three different compositions (ITO/PANI, ITO/PANI-SWCNTs and ITO/PANI-SWCNTs-graphite) of counter electrodes were fabricated and used for constructing different DSSCs. The morphologies of PANT-SWCNTs counter electrode and TiO2 mesoporous film surfaces were investigated using scanning electron microscope (SEM). The electrical properties of the resultant solar cells were investigated by measuring the current density voltage (J-V) under illumination condition and impedance measurements. The photovoltaic cell characteristics, i.e., open circuit voltage (V-OC), short circuit current density (J(sc)), fill factor (FF) and energy conversion efficiency (eta) were evaluated under illumination and were found to be 530 mV, 12 mA/cm(2), 0.3 and 1.8%, respectively for ITO/PANI-SWCNTs/graphite/electrolyte/ TiO2-N3 dye/ITO heterostructure. The depositing of a graphite layer on the PANI/SWCNTs nanocomposite creates a novel structure for the counter electrode and enhances the photovoltaic cell efficiency by 80%. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Saad, Laila; Feteha, M. Y.; Ebrahim, Sh; Soliman, Moataz] Univ Alexandria, Inst Grad Studies & Res, Dept Mat Sci, Alexandria, Egypt.
[Fettah, Tarek M. Abdel] Christopher Newport Univ, Appl Res Ctr, Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA.
[Fettah, Tarek M. Abdel] Christopher Newport Univ, Dept Mol Biol & Chem, Newport News, VA 23606 USA.
RP Saad, L (reprint author), Univ Alexandria, Inst Grad Studies & Res, Dept Mat Sci, Alexandria, Egypt.
EM fattah@cnu.edu
NR 22
TC 4
Z9 5
U1 4
U2 11
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 2162-8769
J9 ECS J SOLID STATE SC
JI ECS J. Solid State Sci. Technol.
PY 2014
VL 3
IS 10
BP M55
EP M60
DI 10.1149/2.0051410jss
PG 6
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA AP3FX
UT WOS:000341962100003
ER
PT J
AU Wei, D
Hossain, T
Briggs, DP
Edgar, JH
AF Wei, D.
Hossain, T.
Briggs, D. P.
Edgar, J. H.
TI A Comparison of N-Polar (000(1)over-bar) GaN Surface Preparations for
the Atomic Layer Deposition of Al2O3
SO ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY
LA English
DT Article
ID CHEMICAL-VAPOR-DEPOSITION; INSULATOR-SEMICONDUCTOR STRUCTURES; SAPPHIRE
SUBSTRATE; LASER-DIODES; SILICON; CAPACITORS; HEMTS
AB Nitrogen-polar gallium nitride offers several advantages over Ga-polar GaN for high frequency-high power electronic devices, but its processing has not been fully developed. Here we report on a systematic study of the effect of surface pretreatments on N-polar GaN for metal oxide semiconductor capacitors (MOSCAPs). Bulk n-type GaN (000 (1) over bar) substrates were prepared with a variety of treatments including: HF; HCl; base-piranha; H-2 plasma; and no pretreatment for comparison. Then 14nm thick Al2O3 layers were deposited by atomic layer deposition (ALD). Both the original surfaces of GaN and ALD films were characterized by atomic force microscopy (AFM). MOSCAPs were fabricated and characterized by capacitance-voltage (C-V) and current voltage (I-V) measurements. The surface morphology and electrical performance was greatly affected by the pretreatments due to the reactive nature of N-polar GaN. The MOSCAP fabricated on GaN as-received with no additional preparation had the best performance including the smallest hysteresis (0.03V), lowest leakage current density (2.09 x 10(-8) A/cm(2) at +4V) and total trap density (2.47 x 10(10) cm(-2)eV(-1)). This was correlated to the smoothest surface morphology (0.23 nm). (C) The Author(s) 2014. Published by ECS.
C1 [Wei, D.; Hossain, T.; Edgar, J. H.] Kansas State Univ, Dept Chem Engn, Manhattan, KS 66506 USA.
[Briggs, D. P.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Nanofabricat Res Lab, Oak Ridge, TN 37831 USA.
RP Wei, D (reprint author), Kansas State Univ, Dept Chem Engn, Durland Hall, Manhattan, KS 66506 USA.
EM edgarjh@ksu.edu
FU Office of Naval Research (ONR) [N00014-09-1-1160]; Office of Naval
Research; Scientific User Facilities Division, Office of Basic Energy
Sciences, U.S. Department of Energy [CNMS2013-334]
FX This work was supported by Office of Naval Research (ONR) with grant
number N00014-09-1-1160. Work at the U.S. Naval Research Laboratory is
supported by the Office of Naval Research. Part of this research was
conducted at the Center for Nanophase Materials Sciences under proposal
ID: CNMS2013-334, which is sponsored at Oak Ridge National Laboratory by
the Scientific User Facilities Division, Office of Basic Energy
Sciences, U.S. Department of Energy.
NR 36
TC 1
Z9 1
U1 2
U2 8
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 2162-8769
J9 ECS J SOLID STATE SC
JI ECS J. Solid State Sci. Technol.
PY 2014
VL 3
IS 10
BP N127
EP N131
DI 10.1149/2.0201410jss
PG 5
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA AP3FX
UT WOS:000341962100006
ER
PT J
AU Du, XS
Flynn, BT
Motley, JR
Stickle, WF
Bluhm, H
Herman, GS
AF Du, Xiaosong
Flynn, Brendan T.
Motley, Joshua R.
Stickle, William F.
Bluhm, Hendrik
Herman, Gregory S.
TI Role of Self-Assembled Monolayers on Improved Electrical Stability of
Amorphous In-Ga-Zn-O Thin-Film Transistors
SO ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY
LA English
DT Article
ID LAYER DEPOSITION; TIN OXIDE; CHANNEL; AMBIENT; SENSOR; TFTS; H2O
AB Self-assembled monolayers (SAMs) have been used to improve both the positive and negative bias-stress stability of amorphous indium gallium zinc oxide (IGZO) bottom gate thin film transistors (TFTs). N-hexylphosphonic acid (HPA) and fluorinated hexylphosphonic acid (FPA) SAMs adsorbed on IGZO back channel surfaces were shown to significantly reduce bias-stress turn-on voltage shifts compared to IGZO back channel surfaces with no SAMs. FPA was found to have a lower surface energy and lower packing density than HPA, as well as lower bias-stress turn-on voltage shifts. The improved stability of IGZO TFTs with SAMs can be primarily attributed to a reduction in molecular adsorption of contaminants on the IGZO back channel surface and minimal trapping states present with phosphonic acid binding to the IGZO surface. (c) 2014 The Electrochemical Society. All rights reserved.
C1 [Du, Xiaosong; Flynn, Brendan T.; Motley, Joshua R.; Herman, Gregory S.] Oregon State Univ, Sch Chem Biol & Environm Engn, Corvallis, OR 97331 USA.
[Stickle, William F.] Hewlett Packard Corp, Corvallis, OR 97330 USA.
[Bluhm, Hendrik] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Du, XS (reprint author), Oregon State Univ, Sch Chem Biol & Environm Engn, Corvallis, OR 97331 USA.
EM greg.herman@oregonstate.edu
RI Du, Xiaosong/G-2392-2015
FU Juvenile Diabetes Research Foundation [3-PDF-2014-113-A-N]; Oregon
Nanoscience and Microtechnologies Institute (ONAMI); Leona M. and Harry
B. Helmsley Charitable Trust [2012PG_T1D034]; Office of Science, Office
of Basic Energy Sciences, Division of Chemical Sciences, Geosciences,
and Biosciences and Materials Sciences Division of the US Department of
Energy at the Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]
FX This work was funded in part by the Oregon Nanoscience and
Microtechnologies Institute (ONAMI). X. Du acknowledges financial
support from the Juvenile Diabetes Research Foundation
(3-PDF-2014-113-A-N). G. S. Herman acknowledges financial support from
the Leona M. and Harry B. Helmsley Charitable Trust (grant
2012PG_T1D034). Beamline 11.0.2 at the Advanced Light Source is
supported by the Director, Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences
and Materials Sciences Division of the US Department of Energy at the
Lawrence Berkeley National Laboratory under Contract No.
DE-AC02-05CH11231.
NR 39
TC 9
Z9 9
U1 1
U2 10
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 2162-8769
J9 ECS J SOLID STATE SC
JI ECS J. Solid State Sci. Technol.
PY 2014
VL 3
IS 9
BP Q3045
EP Q3049
DI 10.1149/2.010409jss
PG 5
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA AP3FW
UT WOS:000341962000010
ER
PT J
AU Dunnick, KM
Badding, MA
Schwegler-Berry, D
Patete, JM
Koenigsmann, C
Wong, SS
Leonard, SS
AF Dunnick, Katherine M.
Badding, Melissa A.
Schwegler-Berry, Diane
Patete, Jonathan M.
Koenigsmann, Christopher
Wong, Stanislaus S.
Leonard, Stephen S.
TI THE EFFECT OF TUNGSTATE NANOPARTICLES ON REACTIVE OXYGEN SPECIES AND
CYTOTOXICITY IN RAW 264.7 MOUSE MONOCYTE MACROPHAGE CELLS
SO JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART A-CURRENT ISSUES
LA English
DT Article
ID METAL-OXIDE NANOPARTICLES; HUMAN LUNG-CELLS; OXIDATIVE STRESS;
TITANIUM-DIOXIDE; IN-VITRO; PULMONARY INFLAMMATION; COMET ASSAY; CARBON
NANOTUBES; ZINC-OXIDE; TOXICITY
AB Due to their unique size, surface area, and chemical characteristics, nanoparticles' use in consumer products has increased. However, the toxicity of nanoparticle (NP) exposure during the manufacturing process has not been fully assessed. Tungstate NP are used in numerous products, including but not limited to scintillator detectors and fluorescent lighting. As with many NP, no apparent toxicity studies have been completed with tungstate NP. The hypothesis that tungstate NP in vitro exposure results in reactive oxygen species (ROS) formation and cytotoxicity was examined. Differences in toxicity based on tungstate NP size, shape (sphere vs. wire), and chemical characteristics were determined. RAW 264.7 mouse monocyte macrophages were exposed to tungstate NP, and ROS formation was assessed via electron spin resonance (ESR), and several assays including hydrogen peroxide, intracellular ROS, and Comet. Results showed ROS production induced by tungstate nanowire exposure, but this exposure did not result in oxidative DNA damage. Nanospheres showed neither ROS nor DNA damage following cellular exposure. Cells were exposed over 72 h to assess cytotoxicity using an MTT (tetrazolium compound) assay. Results showed that differences in cell death between wires and spheres occurred at 24 h but were minimal at both 48 and 72 h. The present results indicate that tungstate nanowires are more reactive and produce cell death within 24 h of exposure, whereas nanospheres are less reactive and did not produce cell death. Results suggest that differences in shape may affect reactivity. However, regardless of the differences in reactivity, in general both shapes produced mild ROS and resulted in minimal cell death at 48 and 72 h in RAW 264.7 cells.
C1 [Dunnick, Katherine M.; Badding, Melissa A.; Schwegler-Berry, Diane; Leonard, Stephen S.] NIOSH, HELD, Morgantown, WV 26505 USA.
[Dunnick, Katherine M.; Leonard, Stephen S.] W Virginia Univ, Morgantown, WV 26506 USA.
[Patete, Jonathan M.; Koenigsmann, Christopher; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
[Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
RP Dunnick, KM (reprint author), NIOSH, HELD, PPRB, 1095 Willowdale Rd, Morgantown, WV 26505 USA.
EM kdunnick@mix.wvu.edu
FU CDC/NIOSH/Health Effects Laboratory Division Direct funding project;
National Science Foundation through the IGERT program [DGE-1144676];
U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and
Engineering Division at Brookhaven National Laboratory - U.S. Department
of Energy [DE-AC02-98CH10886]
FX This project was funded by a CDC/NIOSH/Health Effects Laboratory
Division Direct funding project. K. M. Dunnick acknowledges support from
the National Science Foundation through the IGERT program under grant
DGE-1144676. Research funding for J. M. Patete, C. Koenigsmann, and S.
S. Wong was provided by the U.S. Department of Energy, Basic Energy
Sciences, Materials Sciences and Engineering Division at Brookhaven
National Laboratory, which is supported by the U.S. Department of Energy
under contract DE-AC02-98CH10886. The authors thank Natalie Fix for her
technical assistance and Michael Wolfarth for his assistance with
dynamic light scattering.
NR 42
TC 6
Z9 6
U1 0
U2 7
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 CHESTNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 1528-7394
EI 1087-2620
J9 J TOXICOL ENV HEAL A
JI J. Toxicol. Env. Health Part A
PY 2014
VL 77
IS 20
BP 1251
EP 1268
DI 10.1080/15287394.2014.897490
PG 18
WC Environmental Sciences; Public, Environmental & Occupational Health;
Toxicology
SC Environmental Sciences & Ecology; Public, Environmental & Occupational
Health; Toxicology
GA AP5RH
UT WOS:000342135900005
PM 25208664
ER
PT J
AU Borovikov, V
Mendelev, MI
King, AH
AF Borovikov, Valery
Mendelev, Mikhail I.
King, Alexander H.
TI Effects of solutes on the thermal stability of nanotwinned materials
SO PHILOSOPHICAL MAGAZINE
LA English
DT Article
DE solute drag effect; molecular dynamics simulation; incoherent/coherent
twin boundaries; nanotwins
ID INCOHERENT TWIN BOUNDARIES; CENTERED-CUBIC METALS; GRAIN-BOUNDARY;
NANOCRYSTALLINE COPPER; MOLECULAR-DYNAMICS; ULTRAHIGH-STRENGTH; GROWTH
TWINS; STABILIZATION; NANOSCALE; MIGRATION
AB Nanoscale twins form in many metallic materials, especially those with low stacking fault energy. Their presence can significantly enhance the strength of a material. However, nanotwins are unstable and can be annihilated, e. g. by thermal annealing. We present the results of molecular dynamics (MD) simulations, which demonstrate that additions of solutes can significantly stabilize nanotwinned structures. The MD simulations reveal that the mechanism of the solute drag on the twin boundary may be associated not with the solute segregation on the incoherent twin boundary (ITB), but rather with changing of the ITB shape or position to accommodate as many solutes as possible.
C1 [Borovikov, Valery; Mendelev, Mikhail I.; King, Alexander H.] Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA.
RP Borovikov, V (reprint author), Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA.
EM valery@ameslab.gov
RI King, Alexander/P-6497-2015
OI King, Alexander/0000-0001-7101-6585
FU Department of Energy, Office of Basic Energy Sciences
[DE-AC02-07CH11358]
FX This research was supported by the Department of Energy, Office of Basic
Energy Sciences, under Contract No DE-AC02-07CH11358. The author would
like to gratefully acknowledge the help of Art Voter with the CLSMAN
software package.
NR 37
TC 3
Z9 3
U1 5
U2 28
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 1478-6435
EI 1478-6443
J9 PHILOS MAG
JI Philos. Mag.
PY 2014
VL 94
IS 25
BP 2875
EP 2885
DI 10.1080/14786435.2014.937784
PG 11
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Physics, Applied; Physics, Condensed Matter
SC Materials Science; Metallurgy & Metallurgical Engineering; Physics
GA AP5RX
UT WOS:000342137500003
ER
PT J
AU Sankaran, RP
Ophus, C
Ozdol, B
Radmilovic, VR
Minor, AM
Morris, JW
AF Sankaran, R. P.
Ophus, C.
Ozdol, B.
Radmilovic, V. R.
Minor, A. M.
Morris, J. W., Jr.
TI HAADF imaging of the omega (omega) phase in a gum metal-related alloy
SO PHILOSOPHICAL MAGAZINE
LA English
DT Article
DE STEM; titanium alloys; phase transformations; ordered intermetallics;
Ti2Nb
ID TI-NB ALLOYS; MECHANICAL-PROPERTIES; PLASTIC-DEFORMATION
AB Nanosized precipitates have been observed in a Nb-lean gum metal-related alloy, Ti-20.0Nb-0.6Ta-1.7Zr-1.1O at.% (Ti-31.9Nb-2.0Ta-2.7Zr-0.3O wt.%) using probe-corrected high-resolution scanning transmission electron microscopy with a high-angle annular dark-field detector (HAADF). This characterization yields three distinct atomic motifs and STEM multislice simulations are semi-quantitatively used to verify that each motif can be attributed to the widely observed " athermal" omega phase. However, the presence of chemical ordering cannot be unambiguously ruled out in this system. Data presented here, demonstrate the complexity of interpreting HAADF images of multiphase, multicomponent alloys when complementary experimental data are unavailable.
C1 [Sankaran, R. P.; Minor, A. M.; Morris, J. W., Jr.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Ophus, C.; Ozdol, B.; Minor, A. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA.
[Radmilovic, V. R.] Univ Belgrade, Nanotechnol & Funct Mat Ctr, Fac Technol & Met, Belgrade 11120, Serbia.
RP Sankaran, RP (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
EM rohini.sankaran@berkeley.edu
RI Foundry, Molecular/G-9968-2014; Sankaran, Rohini/K-5540-2014
OI Sankaran, Rohini/0000-0001-5914-4330
FU National Science Foundation [DMR-0706554, DMR-1105081]; Toyota Research
and Development; Office of Science, Office of Basic Energy Sciences of
the US Department of Energy [DE-AC02-05CH11231]; Nanotechnology and
Functional Materials Center at faculty of Technology and Metallurgy,
University of Belgrade; Ministry of Education and Science of the
Republic of Serbia [172054]
FX The authors acknowledge the support of the National Science Foundation
[grant number DMR-0706554], [grant number DMR-1105081]; Toyota Research
and Development. All HRSTEM imaging and image processing were performed
at the National Center for Electron Microscopy which is supported by the
Office of Science, Office of Basic Energy Sciences of the US Department
of Energy under Contract No. DE-AC02-05CH11231. VRR acknowledges
supports of Nanotechnology and Functional Materials Center at faculty of
Technology and Metallurgy, University of Belgrade, and from the Ministry
of Education and Science of the Republic of Serbia, project No. 172054.
NR 21
TC 3
Z9 3
U1 1
U2 17
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 1478-6435
EI 1478-6443
J9 PHILOS MAG
JI Philos. Mag.
PY 2014
VL 94
IS 25
BP 2900
EP 2912
DI 10.1080/14786435.2014.937839
PG 13
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Physics, Applied; Physics, Condensed Matter
SC Materials Science; Metallurgy & Metallurgical Engineering; Physics
GA AP5RX
UT WOS:000342137500005
ER
PT J
AU Kamath, G
Narayanan, B
Sankaranarayanan, SKRS
AF Kamath, Ganesh
Narayanan, Badri
Sankaranarayanan, Subramanian K. R. S.
TI Atomistic origin of superior performance of ionic liquid electrolytes
for Al-ion batteries
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID LITHIUM BATTERIES; CHALLENGES; ALUMINUM; BEHAVIOR; FORCE; ANODE
AB Encouraged by recent experimental findings, here we report on an in silico investigation to probe the atomistic origin behind the superior performance of ionic liquids (ILs) over traditional carbonate electrolytes for Al-ion batteries. Fundamental insights from computationally derived thermodynamic and kinetic considerations coupled with an atomistic-level description of the solvation dynamics is used to elucidate the performance improvements. The formation of low-stability ion-solvent complexes in ILs facilitates rapid Al-ion solvation-desolvation and translates into favorable transport properties (viscosity and ionic conductivity). Our results offer encouraging prospects for this approach in the a priori prediction of optimal IL formulations for Al-ion batteries.
C1 [Kamath, Ganesh] Univ Missouri, Dept Chem, Columbia, MO 65211 USA.
[Narayanan, Badri; Sankaranarayanan, Subramanian K. R. S.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
RP Kamath, G (reprint author), Univ Missouri, Dept Chem, Columbia, MO 65211 USA.
EM gkamath9173@gmail.com; skrssank@anl.gov
OI Narayanan, Badri/0000-0001-8147-1047
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]
FX Use of the Center for Nanoscale Materials was supported by the U.S.
Department of Energy, Office of Science, Office of Basic Energy
Sciences, under Contract No. DE-AC02-06CH11357.
NR 26
TC 6
Z9 6
U1 8
U2 78
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 38
BP 20387
EP 20391
DI 10.1039/c4cp02840f
PG 5
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AP4TS
UT WOS:000342072300013
PM 25144750
ER
PT J
AU Kan, YC
Hu, Y
Lin, CK
Ren, Y
Sun, YK
Amine, K
Chen, ZH
AF Kan, Yongchun
Hu, Yuan
Lin, Chi-Kai
Ren, Yang
Sun, Yang-Kook
Amine, Khalil
Chen, Zonghai
TI Migration of Mn cations in delithiated lithium manganese oxides
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID X-RAY-DIFFRACTION; LAYERED COMPOSITE CATHODE; TRANSITION-METAL OXIDES;
LI-ION BATTERIES; VOLTAGE FADE; ELECTRONIC PROPERTIES; SPINEL PHASE;
HYSTERESIS; DESIGN; DECAY
AB Li2MnO3 is an integrated component in lithium-manganese-rich nickel manganese cobalt oxides, and the conversion of Li2MnO3 to a spinel-like structure after electrochemical activation has been associated with the continuous potential decay of the material. Delithiated Li2MnO3 and delithiated LiMn2O4 were used as model materials to investigate the mechanism of forming the spinel-like structure. An in situ high-energy X-ray diffraction technique was used to trace the structural change of materials at elevated temperatures, a procedure to mimic the structural transformation during the normal cycling of batteries. It was also found that the migration of Mn atoms from the octahedral sites to tetrahedral sites is the key step for phase transformation from a monoclinic structure to a spinel structure.
C1 [Kan, Yongchun; Hu, Yuan] Univ Sci & Technol China, State Key Lab Fire Sci, Hefei 230026, Anhui, Peoples R China.
[Kan, Yongchun; Lin, Chi-Kai; Amine, Khalil; Chen, Zonghai] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA.
[Ren, Yang] Argonne Natl Lab, Xray Sci Div, Lemont, IL 60439 USA.
[Sun, Yang-Kook] Hanyang Univ, Dept Energy Engn, Seoul 133791, South Korea.
[Amine, Khalil] King Abdulaziz Univ, Fac Sci, Dept Chem, Jeddah, Saudi Arabia.
RP Hu, Y (reprint author), Univ Sci & Technol China, State Key Lab Fire Sci, Hefei 230026, Anhui, Peoples R China.
EM yuanhu@ustc.edu.cn; zonghai.chen@anl.gov
RI Chen, Zonghai/F-1067-2015; Faculty of, Sciences, KAU/E-7305-2017
OI Chen, Zonghai/0000-0001-5371-9463;
FU U. S. Department of Energy, Vehicle Technologies Office; U. S.
Department of Energy [DE-AC02-06CH11357]; U. S. Department of Energy,
Office of Science, Office of Basic Energy Sciences
FX Research at the Argonne National Laboratory was funded by U. S.
Department of Energy, Vehicle Technologies Office. The Argonne National
Laboratory is operated for the U. S. Department of Energy by UChicago
Argonne, LLC, under contract DE-AC02-06CH11357. The authors also
acknowledge the use of the Advanced Photon Source of the Argonne
National Laboratory supported by the U. S. Department of Energy, Office
of Science, Office of Basic Energy Sciences. The authors also thank Dr
Ira Bloom and Dr Javier Bareno for valuable technical discussion.
NR 25
TC 7
Z9 7
U1 8
U2 73
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 38
BP 20697
EP 20702
DI 10.1039/c4cp02795g
PG 6
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AP4TS
UT WOS:000342072300050
PM 25162360
ER
PT J
AU Wang, XD
Cai, QX
Zhuang, GL
Zhong, X
Mei, DH
Li, XN
Wang, JG
AF Wang, Xinde
Cai, Qiuxia
Zhuang, Guilin
Zhong, Xing
Mei, Donghai
Li, Xiaonian
Wang, Jianguo
TI Geometric and electronic properties of graphene modified by "external"
N-containing groups
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID OXYGEN REDUCTION REACTION; SULFUR-DOPED GRAPHENE; AUGMENTED-WAVE METHOD;
CARBON NANOTUBES; QUANTUM DOTS; CO OXIDATION; FUEL-CELLS; NITROGEN;
EFFICIENT; CATALYST
AB Using first-principles spin polarized density functional theory (DFT) calculations, we investigated structures and electronic properties of "external" nitrogen-containing group (pyridine derivatives) modified graphene via a single or a double bonding mode. Our results show that in the most stable structures, the bonding between pyridine derivatives and graphene involves the ortho-carbon of pyridine derivatives, as confirmed by the Bader charge analysis. The enhanced stability of pyridine derivatives on graphene by [2+2] cycloaddition, e.g., a double bonding mode (DBPyNG), is caused by the matches between frontier orbitals of pyridine derivatives and those of graphene, which leads to the formation of stronger chemical bonds. Interestingly, electronic structure density of states (DOS) analysis of SBPyNG reveals that the spin-up and spin-down parts are clearly split while it is not the case for the double bonding pyridine derivative modified graphene (DBPyNG).
C1 [Wang, Xinde; Cai, Qiuxia; Zhuang, Guilin; Zhong, Xing; Li, Xiaonian; Wang, Jianguo] Zhejiang Univ Technol, Coll Chem Engn & Mat Sci, Hangzhou 310032, Zhejiang, Peoples R China.
[Mei, Donghai] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA.
RP Wang, JG (reprint author), Zhejiang Univ Technol, Coll Chem Engn & Mat Sci, Hangzhou 310032, Zhejiang, Peoples R China.
EM jgw@zjut.edu.cn
RI Mei, Donghai/A-2115-2012; Li, Xiaonian/G-2026-2011; Mei,
Donghai/D-3251-2011; Zhuang, Gui-lin/G-6531-2016
OI Mei, Donghai/0000-0002-0286-4182;
FU 973 project [2013CB733501]; National Natural Science Foundation of China
[21101137, 21136001, 21176221, 21306169, 91334013]; US Department of
Energy, Office of Basic Energy Sciences, Division of Chemical Sciences,
Geosciences Biosciences
FX This work was supported by the 973 project (2013CB733501), the National
Natural Science Foundation of China (21101137, 21136001, 21176221,
21306169 and 91334013) and the US Department of Energy, Office of Basic
Energy Sciences, Division of Chemical Sciences, Geosciences &
Biosciences.
NR 54
TC 5
Z9 5
U1 6
U2 48
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 38
BP 20749
EP 20754
DI 10.1039/c4cp03069a
PG 6
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AP4TS
UT WOS:000342072300056
PM 25162798
ER
PT J
AU Liu, SY
Shawkey, MD
Parkinson, D
Troy, TP
Ahmed, M
AF Liu, Suet Yi
Shawkey, Matthew D.
Parkinson, Dilworth
Troy, Tyler P.
Ahmed, Musahid
TI Elucidation of the chemical composition of avian melanin
SO RSC ADVANCES
LA English
DT Article
ID MASS-SPECTROMETRY; MELANOSOMES; EUMELANIN; CHEMISTRY; PIGMENT; RED
AB Our understanding of the chemical composition of melanin remains limited, due to a paucity of direct measurements. Avian feathers have an unparalleled diversity of melanin-based color mirroring their complex chemistry. Synchrotron-based photoionization mass spectrometry is used to determine the chemical composition of melanin from samples of black, brown, grey and iridescent feathers.
C1 [Liu, Suet Yi; Troy, Tyler P.; Ahmed, Musahid] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Shawkey, Matthew D.] Univ Akron, Dept Biol, Akron, OH 44325 USA.
[Parkinson, Dilworth] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, 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 Parkinson, Dilworth/A-2974-2015; Ahmed, Musahid/A-8733-2009;
OI Parkinson, Dilworth/0000-0002-1817-0716; Shawkey,
Matthew/0000-0002-5131-8209
FU Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy [DE-AC02-05CH11231]; AFOSR [FA9550-09-1-0159]; HFSP
[RGY0083]; NSF [EAR-1251895]
FX The authors (MA, SYL, DP, TPT), the Advanced Light Source and the
National Energy Research Scientific Computing Center are 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. MDS is
supported by AFOSR grant FA9550-09-1-0159, HFSP grant RGY0083 and NSF
grant EAR-1251895.
NR 16
TC 11
Z9 11
U1 3
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 2014
VL 4
IS 76
BP 40396
EP 40399
DI 10.1039/c4ra06606e
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA AP2WJ
UT WOS:000341936400038
ER
PT J
AU Liu, AM
Ren, XF
Zhang, J
Wang, C
Yang, PX
Zhang, JQ
An, MZ
Higgins, D
Li, Q
Wu, G
AF Liu, Anmin
Ren, Xuefeng
Zhang, Jie
Wang, Chong
Yang, Peixia
Zhang, Jinqiu
An, Maozhong
Higgins, Drew
Li, Qing
Wu, Gang
TI Theoretical and experimental studies of the corrosion inhibition effect
of nitrotetrazolium blue chloride on copper in 0.1 M H2SO4
SO RSC ADVANCES
LA English
DT Article
ID MOLECULAR-DYNAMICS SIMULATIONS; QUANTUM-CHEMICAL CALCULATIONS;
DENSITY-FUNCTIONAL-THEORY; RAY PHOTOELECTRON-SPECTROSCOPY; ACIDIC
PICKLING SOLUTIONS; MILD-STEEL; IMIDAZOLINE COMPOUNDS; COMPLEX
MATERIALS; AQUEOUS-SOLUTION; DERIVATIVES
AB The inhibition effect of nitrotetrazolium blue chloride (NTBC) on copper corrosion in 0.1 M H2SO4 solution was investigated by quantum chemical calculations, molecular dynamic (MD) simulations, electrochemical measurements, and scanning electron microscopy (SEM) surface morphological examination. X-ray photoelectron spectroscopy (XPS) measurements were also employed to study the adsorbed layer of NTBC on the copper surface. Adsorption behaviors of NTBC on copper surfaces were studied by MD simulations. The inhibition effect of NTBC was further confirmed by the results of electrochemical measurements and surface morphological examination. The NTBC increased the total resistance of the copper corrosion process according to the results of EIS due to formation of an absorption layer on the copper surface. Potentiodynamic polarization curves indicated that the corrosion rate decreased prominently with the addition of NTBC into H2SO4 solution, as the increasing concentration of NTBC caused a decreasing current density (i(corr)). The optimal concentration of NTBC as an inhibitor for the corrosion of copper in 0.1 M H2SO4 solutions was determined to be 500 ppm according to electrochemical and morphological studies. Quantum chemical calculations were employed to study the electronic properties of NTBC to ascertain the correlation between the inhibitive effect and the molecular structure. Both the experimental and theoretical results are in good agreement with each other in this regard and confirm that NTBC is an effective inhibitor. The quantum chemical calculations and MD simulations provided strong evidence that the superior inhibition effect of NTBC is due to its ability to adsorb strongly at copper surfaces.
C1 [Liu, Anmin; Ren, Xuefeng; Zhang, Jie; Wang, Chong; Yang, Peixia; Zhang, Jinqiu; An, Maozhong] Harbin Inst Technol, Sch Chem Engn & Technol, State Key Lab Urban Water Resource & Environm, Harbin 150001, Peoples R China.
[Higgins, Drew; Li, Qing; Wu, Gang] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
[Wu, Gang] SUNY Buffalo, Dept Chem & Biol Engn, Buffalo, NY 14260 USA.
RP An, MZ (reprint author), Harbin Inst Technol, Sch Chem Engn & Technol, State Key Lab Urban Water Resource & Environm, Harbin 150001, Peoples R China.
EM mzan@hit.edu.cn; gangwu@buffalo.edu
RI Wu, Gang/E-8536-2010;
OI Wu, Gang/0000-0003-4956-5208; Wang, Chong/0000-0003-4489-4344
FU State Key Laboratory of Urban Water Resource and Environment (Harbin
Institute of Technology) [2012DX03]
FX The authors are grateful for financial support from the State Key
Laboratory of Urban Water Resource and Environment (Harbin Institute of
Technology) (2012DX03).
NR 78
TC 3
Z9 3
U1 0
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 2014
VL 4
IS 76
BP 40606
EP 40616
DI 10.1039/c4ra05274a
PG 11
WC Chemistry, Multidisciplinary
SC Chemistry
GA AP2WJ
UT WOS:000341936400066
ER
PT J
AU Zhu, YL
Lin, Y
Shen, X
Sunarso, J
Zhou, W
Jiang, SS
Su, D
Chen, FL
Shao, ZP
AF Zhu, Yinlong
Lin, Ye
Shen, Xuan
Sunarso, Jaka
Zhou, Wei
Jiang, Shanshan
Su, Dong
Chen, Fanglin
Shao, Zongping
TI Influence of crystal structure on the electrochemical performance of
A-site-deficient Sr1-sNb0.1Co0.9O3-delta perovskite cathodes
SO RSC ADVANCES
LA English
DT Article
ID OXIDE FUEL-CELL; CONDUCTIVITY; STABILITY; SOFC; TRANSITION; SYSTEMS
AB The creation of A-site cation defects within a perovskite oxide can substantially alter the structure and properties of its stoichiometric analogue. In this work, we demonstrate that by vacating 2 and 5% of A-site cations from SrNb0.1Co0.9O3-delta (SNC1.00) perovskites (Sr1-sNb0.1Co0.9O3-delta, s = 0.02 and 0.05; denoted as SNC0.98 and SNC0.95, respectively), a Jahn-Teller (JT) distortion with varying extents takes place, leading to the formation of a modified crystal lattice within a the perovskite framework. Electrical conductivity, electrochemical performance, chemical compatibility and microstructure of Sr1-sNb0.1Co0.9O3-delta as cathodes for solid oxide fuel cells were evaluated. Among SNC1.00, SNC0.98 and SNC0.95, SNC0.95 (P4/mmm symmetry (#123)) which exhibits a large JT distortion in conjunction with charge-ordering of cobalt (Co) shows the best oxygen reduction reaction (ORR) activity at low temperature while SNC0.98 (P4mm symmetry (#99)), which displays a local JT distortion, shows the poorest performance.
C1 [Zhu, Yinlong; Jiang, Shanshan] Nanjing Tech Univ, Coll Chem & Chem Engn, State Key Lab Mat Oriented Chem Engn, Nanjing 210009, Jiangsu, Peoples R China.
[Lin, Ye; Chen, Fanglin] Univ S Carolina, Dept Mech Engn, Columbia, SC 29208 USA.
[Shen, Xuan; Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Shen, Xuan] Nanjing Univ, Dept Mat Sci & Engn, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China.
[Sunarso, Jaka] Univ Waterloo, Dept Chem, Waterloo, ON N2L 3G1, Canada.
[Zhou, Wei] Univ Queensland, Sch Chem Engn, Brisbane, Qld 4072, Australia.
[Shao, Zongping] Nanjing Tech Univ, Coll Energy, State Key Lab Mat Oriented Chem Engn, Nanjing 210009, Jiangsu, Peoples R China.
RP Zhou, W (reprint author), Univ Queensland, Sch Chem Engn, Brisbane, Qld 4072, Australia.
EM wei.zhou@uq.edu.au; shaozp@njtech.edu.cn
RI Chen, Fanglin/K-1039-2012; Zhou, Wei/B-1083-2012; Su, Dong/A-8233-2013;
shao, zongping/B-5250-2013; Sunarso, Jaka/B-9077-2008;
OI Chen, Fanglin/0000-0001-9942-8872; Zhou, Wei/0000-0003-0322-095X; Su,
Dong/0000-0002-1921-6683; Sunarso, Jaka/0000-0002-5234-7431; Lin,
Ye/0000-0003-4289-894X
FU China National Funds [51025209]; Outstanding Young Scholar Grant at
Jiangsu Province [2008023]; Fok Ying Tung Education Grant [111073];
Program for New Century Excellent Talents in Chinese Ministry of
Education; National Basic Research Program of China [2007CB209704];
Australian Research Council (ARC); HeteroFoaM Center; Energy Frontier
Research Center - Office of Science, U.S. Department of Energy
[DE-SC0001061]; U.S. Department of Energy, Office of Basic Energy
Sciences [DE-AC02-98CH10886]; China Scholarship Council; Brookhaven
National Laboratory
FX This work was supported by the China National Funds to Distinguished
Young Scientists under no. 51025209, the Outstanding Young Scholar Grant
at Jiangsu Province under no. 2008023, the Fok Ying Tung Education Grant
under contract no. 111073, the Program for New Century Excellent Talents
in Chinese Ministry of Education and the National Basic Research Program
of China under contract no. 2007CB209704, and Australian Research
Council (ARC). YL and FC were supported by the HeteroFoaM Center, an
Energy Frontier Research Center funded by Office of Science, U.S.
Department of Energy under Award Number DE-SC0001061. Electron
microscopy research was partially carried out at the Center for
Functional Nanomaterials, Brookhaven National Laboratory, which is
supported by the U.S. Department of Energy, Office of Basic Energy
Sciences, under contract no. DE-AC02-98CH10886. XS thanks the China
Scholarship Council and Brookhaven National Laboratory for the financial
support for his exchange program.
NR 41
TC 10
Z9 10
U1 7
U2 60
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 2014
VL 4
IS 77
BP 40865
EP 40872
DI 10.1039/c4ra06191h
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA AP2XA
UT WOS:000341938100026
ER
PT S
AU Schaeffer, DA
Polizos, G
Smith, DB
Lee, DF
Rajic, S
Datskos, PG
Hunter, SR
AF Schaeffer, Daniel A.
Polizos, Georgios
Smith, D. Barton
Lee, Dominic F.
Rajic, Slobodan
Datskos, Panos G.
Hunter, Scott R.
BE Carapezza, EM
TI Spray-on anti-soiling coatings that exhibit high transparency and
mechanical durability
SO SENSORS, AND COMMAND, CONTROL, COMMUNICATIONS, AND INTELLIGENCE (C3I)
TECHNOLOGIES FOR HOMELAND SECURITY AND HOMELAND DEFENSE XIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Sensors, and Command, Control, Communications, and
Intelligence (C3I) Technologies for Homeland Security and Homeland
Defense XIII
CY MAY 05-06, 2014
CL Baltimore, MD
SP SPIE
DE superhydrophobic; optical components; anti-corrosion; self-cleaning;
nanoparticles; transparent
ID SURFACES; RESISTANCE
AB A superhydrophobic (SH) surface has many characteristics, one of which is its self-cleaning, anti-soiling functionality, that are desirable across various industries. A transparent, self-cleaning surface utilizes the right combination of surface chemistry and roughness that force water droplets to form high water contact angles (CA). This in turn allows droplets to easily roll off and pick up dirt and debris across the surface. In theory this is simple but in practice this can be very difficult as superhydrophobicity and optical transparency are competitive. We have developed a simple, spray-on coating based on functionalized SiO2 nanoparticles that can easily be applied to surfaces whose application requires high transparency including, but not limited to, optical sensors, photovoltaics, sights, and lenses. In addition, these coatings exhibit practical mechanical and environmental durability that allow prolonged use of the coatings in harsh environments.
C1 [Schaeffer, Daniel A.; Polizos, Georgios; Smith, D. Barton; Lee, Dominic F.; Rajic, Slobodan; Datskos, Panos G.; Hunter, Scott R.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Schaeffer, DA (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
NR 13
TC 1
Z9 1
U1 0
U2 7
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-011-2
J9 PROC SPIE
PY 2014
VL 9074
AR 90740C
DI 10.1117/12.2053387
PG 6
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB2MP
UT WOS:000341914700009
ER
PT J
AU Phillips, CL
Jankowski, E
Krishnatreya, BJ
Edmond, KV
Sacanna, S
Grier, DG
Pinei, DJ
Glotzer, SC
AF Phillips, Carolyn L.
Jankowski, Eric
Krishnatreya, Bhaskar Jyoti
Edmond, Kazem V.
Sacanna, Stefano
Grier, David G.
Pinei, David J.
Glotzer, Sharon C.
TI Digital colloids: reconfigurable clusters as high information density
elements
SO SOFT MATTER
LA English
DT Article
ID DNA; NANOPARTICLES; MICROSCOPY; EQUILIBRIUM; COMPUTATION; GENERATION;
DEVICES; LOGIC
AB Through the design and manipulation of discrete, nanoscale systems capable of encoding massive amounts of information, the basic components of computation are open to reinvention. These components will enable tagging, memory storage, and sensing in unusual environments - elementary functions crucial for soft robotics and "wet computing". Here we show how reconfigurable clusters made of N colloidal particles bound flexibly to a central colloidal sphere have the capacity to store an amount of information that increases as O(N ln(N)). Using Brownian dynamics simulations, we predict dynamical regimes that allow for information to be written, saved, and erased. We experimentally assemble an N = 4 reconfigurable cluster from chemically synthesized colloidal building blocks, and monitor its equilibrium dynamics. We observe state switching in agreement with simulations. This cluster can store one bit of information, and represents the simplest digital colloid.
C1 [Phillips, Carolyn L.] Univ Michigan, Appl Phys Program, Ann Arbor, MI 48109 USA.
[Phillips, Carolyn L.] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA.
[Jankowski, Eric] Univ Michigan, Dept Chem Engn, Ann Arbor, MI 48109 USA.
[Jankowski, Eric] Univ Colorado, Dept Chem Engn, Boulder, CO 80309 USA.
[Krishnatreya, Bhaskar Jyoti; Edmond, Kazem V.; Grier, David G.; Pinei, David J.] NYU, Dept Phys, New York, NY 10003 USA.
[Krishnatreya, Bhaskar Jyoti; Edmond, Kazem V.; Grier, David G.; Pinei, David J.] NYU, Ctr Soft Matter Res, New York, NY 10003 USA.
[Sacanna, Stefano] NYU, Dept Chem, New York, NY 10003 USA.
[Glotzer, Sharon C.] Univ Michigan, Dept Chem Engn, Dept Mat Sci & Engn, Appl Phys Program, Ann Arbor, MI 48109 USA.
RP Glotzer, SC (reprint author), Univ Michigan, Dept Chem Engn, Dept Mat Sci & Engn, Appl Phys Program, Ann Arbor, MI 48109 USA.
EM sglotzer@umich.edu
RI Grier, David/C-5761-2008; Pine, David/B-7740-2016;
OI Grier, David/0000-0002-4382-5139; Pine, David/0000-0002-3304-6684;
Krishnatreya, Bhaskar Jyoti/0000-0001-9661-8523; Sacanna,
Stefano/0000-0002-8399-3524
FU U. S. Army Research Office under MURI Grant Award [W911NF-10-1-0518];
Biomolecular Materials Program, U. S. Department of Energy Office of
Science [DE-FG02-02ER46000]; Office of the Director through the Named
Postdoctoral Fellowship Program (Aneesur Rahman Postdoctoral
Fellowship), Argonne National Laboratory; MRSEC program of the National
Science Foundation [DMR-0820341]
FX The work of S.C.G., D.J.P., K.V.E. B.J.K. and S.S. to design and conduct
the experiments were supported by the U. S. Army Research Office under
MURI Grant Award no. W911NF-10-1-0518. Conception of the idea and the
initial theoretical and computational work by C.L.P., E.J. and S.C.G.
was supported by the Biomolecular Materials Program, U. S. Department of
Energy Office of Science, under award DE-FG02-02ER46000. SCG also
acknowledges the Simons Investigator program of the Simons Foundation.
C.L.P. was funded by the Office of the Director through the Named
Postdoctoral Fellowship Program (Aneesur Rahman Postdoctoral
Fellowship), Argonne National Laboratory. Use of the optical tweezers
(B.J.K. and D.G.G.) was supported by the MRSEC program of the National
Science Foundation through Grant number DMR-0820341.
NR 51
TC 6
Z9 6
U1 5
U2 36
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 2014
VL 10
IS 38
BP 7468
EP 7479
DI 10.1039/c4sm00796d
PG 12
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA AP4VS
UT WOS:000342077900005
PM 25034966
ER
PT J
AU Reichhardt, C
Reichhardt, CJO
AF Reichhardt, Charles
Reichhardt, Cynthia J. Olson
TI Absorbing phase transitions and dynamic freezing in running active
matter systems
SO SOFT MATTER
LA English
DT Article
ID DRIVEN; PERCOLATION; SEPARATION; PARTICLES; STATES; NOISE
AB We examine a two-dimensional system of sterically repulsive interacting disks where each particle runs in a random direction. This system is equivalent to a run-and-tumble dynamics system in the limit where the run time is infinite. At low densities, we find a strongly fluctuating state composed of transient clusters. Above a critical density that is well below the density at which non-active particles would crystallize, the system can organize into a drifting quiescent or frozen state where the fluctuations are lost and large crystallites form surrounded by a small density of individual particles. Although all the particles are still moving, their paths form closed orbits. The average transient time to organize into the quiescent state diverges as a power law upon approaching the critical density from above. We compare our results to the random organization observed for periodically sheared systems that can undergo an absorbing transition from a fluctuating state to a dynamical non-fluctuating state. In the random organization studies, the system organizes to a state in which the particles no longer interact; in contrast, we find that the randomly running active matter organizes to a strongly interacting dynamically jammed state. We show that the transition to the frozen state is robust against a certain range of stochastic fluctuations. We also examine the effects of adding a small number of pinned particles to the system and find that the transition to the frozen state shifts to significantly lower densities and arises via the nucleation of faceted crystals centered at the obstacles.
C1 [Reichhardt, Charles; Reichhardt, Cynthia J. Olson] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Reichhardt, CJO (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM cjrx@lanl.gov
FU NNSA of the U.S. DoE at LANL [DE-AC52-06NA25396]
FX This work was carried out under the auspices of the NNSA of the U.S. DoE
at LANL under Contract no. DE-AC52-06NA25396.
NR 58
TC 4
Z9 4
U1 1
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 2014
VL 10
IS 38
BP 7502
EP 7510
DI 10.1039/c4sm01273a
PG 9
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA AP4VS
UT WOS:000342077900008
PM 25123498
ER
PT S
AU Niranjan, A
Modi, MH
Singh, A
Idir, M
Lodha, GS
AF Niranjan, Ankita
Modi, Mohammed H.
Singh, Amol
Idir, Mourad
Lodha, G. S.
BE Murli, C
Bhattacharyya, D
Gadkari, SC
TI Comparison of Mo/Si and NbC/Si Lamellar Multilayer Gratings Near Si
Absorption Edge
SO SOLID STATE PHYSICS: PROCEEDINGS OF THE 58TH DAE SOLID STATE PHYSICS
SYMPOSIUM 2013, PTS A & B
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 58th DAE Solid State Physics Symposium
CY DEC 17-21, 2013
CL Thapar Univ, Patiala, INDIA
SP Board Res Nucl Sci, Dept Atom Energy, Govt India
HO Thapar Univ
DE X-ray Optics; Lamellar Multilayer Gratings; Diffraction efficiency;
Resolution
AB Multilayer gratings are important optical elements for obtaining a high efficiency high resolution performance in the soft x-ray region. Though the Mo/Si multilayer poses a poor thermal stability, it is a preferred combination for multilayer coating near the Si L edge region (lambda=124 angstrom) . As a substitute to Mo/Si, a structure comprised of compound material NbC was proposed recently which exhibits superior thermal stability with identical reflectivity performance. In the present study, an analytical solution for grating efficiency calculation presented in Ref 2 by Kozhevnikov et al. is used to calculate theoretical performance of lamellar multilayer grating (LMG) comprised of Mo/Si and NbC/Si structure. Simulation results suggest that the performance of lamellar grating comprised of NbC/Si multilayer is identical with that obtained using Mo/Si multilayer grating.
C1 [Modi, Mohammed H.; Singh, Amol; Lodha, G. S.] Raja Ramanna Ctr Adv Technol, ISU Div, Xray Opt Sect, Indore 452013, India.
[Niranjan, Ankita] Indian Inst Technol, Dept Phys, Delhi 110016, India.
[Idir, Mourad] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Modi, MH (reprint author), Raja Ramanna Ctr Adv Technol, ISU Div, Xray Opt Sect, Indore 452013, India.
EM modimh@rrcat.gov.in
NR 4
TC 0
Z9 0
U1 0
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1225-5
J9 AIP CONF PROC
PY 2014
VL 1591
BP 687
EP 689
DI 10.1063/1.4872720
PG 3
WC Physics, Applied; Physics, Condensed Matter
SC Physics
GA BB2LO
UT WOS:000341870600248
ER
PT J
AU Saka, O
Hayashi, K
Thomsen, M
AF Saka, O.
Hayashi, K.
Thomsen, M.
TI Pre-onset auroral signatures and subsequent development of substorm
auroras: a development of ionospheric loop currents at the onset
latitudes
SO ANNALES GEOPHYSICAE
LA English
DT Article
DE Ionosphere; auroral ionosphere; magnetospheric physics; auroral
phenomena; storms and substorms
ID PI2 MAGNETIC PULSATIONS; FIELD LINE RESONANCES; PI-2 PULSATIONS;
HYDROMAGNETIC-WAVES; CURRENT WEDGE; MAGNETOSPHERE; SATELLITE; MECHANISM;
MODEL; STARE
AB Substorm auroras observed on 17 January 1994 were localized within the field of view of an all-sky imager installed at Dawson City (DWS, 65.7 degrees ILAT). In association with the enhancement of the anti-sunward convection in the polar cap and the ion flux enhancement in 1-6 keV at geosynchronous altitudes, a wave-like structure propagating equatorward to the onset latitudes with a high wave number in azimuth (m similar to 76, T similar to 120 s) was observed 30 min prior to the activation in the equatorward latitudes. The activation of the auroras in the equatorward latitudes and the subsequent poleward expansion lasted for approximately 6 min until a diffuse aurora formed. The auroras in the last 6 min were isolated and localized within the field of view of DWS, from 400 km west to 400 km east, and accompanied the magnetic pulse at the optical station. The magnetic pulse is interpreted by the propagating ionospheric current loop with a size comparable to the isolated auroras (similar to 1000 km). We conclude that the wave-like structures in the pre-onset interval relate to the intrusion of the plasma-sheet plasmas from the tail by the convection. The plasmas from the tail eventually developed the ionospheric loop currents at the onset latitudes, in association with the triggering of the bead-like rippling of auroras and subsequent breaking out from the onset latitudes.
C1 [Saka, O.] Off Geophys, Ogoori, Japan.
[Hayashi, K.] Univ Tokyo, Tokyo, Japan.
[Thomsen, M.] Los Alamos Natl Lab, Los Alamos, NM USA.
RP Saka, O (reprint author), Off Geophys, Ogoori, Japan.
EM saka.o@nifty.com
FU Canadian Space Agency
FX The IGRF model calculations were performed through WDC for Aurora in
NIPR. We acknowledge I. R. Mann, D. K. Milling and the rest of the
CARISMA team for the DWS, FSI, and FMC data. CARISMA is operated by the
University of Alberta, funded by the Canadian Space Agency. We also
thank the CANMOS for the YKC, the 210 Magnetic Data for the KOT, the
Equatorial Magnetometer Network for the GUA and PFO, and the WDC for
Geomagnetism in Kyoto University.
NR 39
TC 3
Z9 3
U1 0
U2 0
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 2014
VL 32
IS 8
BP 1011
EP 1023
DI 10.5194/angeo-32-1011-2014
PG 13
WC Astronomy & Astrophysics; Geosciences, Multidisciplinary; Meteorology &
Atmospheric Sciences
SC Astronomy & Astrophysics; Geology; Meteorology & Atmospheric Sciences
GA AO8LT
UT WOS:000341606700010
ER
PT J
AU Costa-Suros, M
Calbo, J
Gonzalez, JA
Long, CN
AF Costa-Suros, M.
Calbo, J.
Gonzalez, J. A.
Long, C. N.
TI Comparing the cloud vertical structure derived from several methods
based on radiosonde profiles and ground-based remote sensing
measurements
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID UPPER-AIR OBSERVATIONS; HEIGHT DETERMINATION; COMMERCIAL AIRCRAFT;
TEMPERATURE; COMBINATION; BOUNDARIES; CEILOMETER; RAWINSONDE; CLIMATE;
SURFACE
AB The cloud vertical distribution and especially the cloud base height, which is linked to cloud type, are important characteristics in order to describe the impact of clouds on climate. In this work, several methods for estimating the cloud vertical structure (CVS) based on atmospheric sounding profiles are compared, considering the number and position of cloud layers, with a ground-based system that is taken as a reference: the Active Remote Sensing of Clouds (AR-SCL). All methods establish some conditions on the relative humidity, and differ in the use of other variables, the thresholds applied, or the vertical resolution of the profile. In this study, these methods are applied to 193 radiosonde profiles acquired at the Atmospheric Radiation Measurement (ARM) Southern Great Plains site during all seasons of the year 2009 and endorsed by Geostationary Operational Environmental Satellite (GOES) images, to confirm that the cloudiness conditions are homogeneous enough across their trajectory. The perfect agreement (i.e., when the whole CVS is estimated correctly) for the methods ranges between 26 and 64 %; the methods show additional approximate agreement (i.e., when at least one cloud layer is assessed correctly) from 15 to 41 %. Further tests and improvements are applied to one of these methods. In addition, we attempt to make this method suitable for low-resolution vertical profiles, like those from the outputs of reanalysis methods or from the World Meteorological Organization's (WMO) Global Telecommunication System. The perfect agreement, even when using low-resolution profiles, can be improved by up to 67 % (plus 25 % of the approximate agreement) if the thresholds for a moist layer to become a cloud layer are modified to minimize false negatives with the current data set, thus improving overall agreement.
C1 [Costa-Suros, M.; Calbo, J.; Gonzalez, J. A.] Univ Girona, Dept Phys, Grp Environm Phys, Girona, Spain.
[Long, C. N.] Pacific NW Natl Lab, Atmospher Measurements Lab, Richland, WA 99352 USA.
RP Costa-Suros, M (reprint author), Univ Girona, Dept Phys, Grp Environm Phys, Girona, Spain.
EM montse.costa@udg.edu
RI Costa-Suros, Montserrat/A-9016-2015; Calbo, Josep/K-2462-2014
OI Costa-Suros, Montserrat/0000-0002-3319-4513; Calbo,
Josep/0000-0002-9374-0790
FU Ministerio de Ciencia e Innovacion of the Spanish Government
[CGL2007-62664, CGL2010-18546]; FPI from Ministerio de Ciencia e
Innovacion of the Spanish Government [BES-2008-003129]; Office of
Science of the US Department of Energy as part of the Atmospheric
Systems Research (ASR) program; US Department of Energy; UE CLIMSEAS
project [247512]
FX This research was funded by the Ministerio de Ciencia e Innovacion of
the Spanish Government through grants CGL2007-62664 (NUCLIEREX) and
CGL2010-18546 (NUCLIERSOL). M. Costa-Suros was supported by research
fellowship FPI BES-2008-003129 from the Ministerio de Ciencia e
Innovacion of the Spanish Government. C. N. Long acknowledges support
from the Office of Science of the US Department of Energy as part of the
Atmospheric Systems Research (ASR) program. Data and TSI animations were
obtained from the Atmospheric Radiation Measurement (ARM) program
sponsored by the US Department of Energy. We thank L. Dimitrieva-Arrago
for her explanations and interesting discussions while visiting the
University of Girona in the framework of the UE CLIMSEAS project
(FP7-PEOPLE-2009-IRSES proposal no. 247512). We also thank the National
Oceanic and Atmospheric Administration (NOAA) Comprehensive Large
Array-data stewardship system (CLASS) for providing GOES images for
research use.
NR 38
TC 4
Z9 5
U1 0
U2 12
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 2014
VL 7
IS 8
BP 2757
EP 2773
DI 10.5194/amt-7-2757-2014
PG 17
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AO8LE
UT WOS:000341605200024
ER
PT J
AU He, Y
Zhuang, Q
Harden, JW
McGuire, AD
Fan, Z
Liu, Y
Wickland, KP
AF He, Y.
Zhuang, Q.
Harden, J. W.
McGuire, A. D.
Fan, Z.
Liu, Y.
Wickland, K. P.
TI The implications of microbial and substrate limitation for the fates of
carbon in different organic soil horizon types of boreal forest
ecosystems: a mechanistically based model analysis
SO BIOGEOSCIENCES
LA English
DT Article
ID BLACK SPRUCE FORESTS; SENSITIVITY-ANALYSIS; TEMPERATURE SENSITIVITY;
CLIMATE-CHANGE; GLOBAL OPTIMIZATION; PERMAFROST CARBON; USE EFFICIENCY;
ARCTIC TUNDRA; CO2 EXCHANGE; RESPIRATION
AB The large amount of soil carbon in boreal forest ecosystems has the potential to influence the climate system if released in large quantities in response to warming. Thus, there is a need to better understand and represent the environmental sensitivity of soil carbon decomposition. Most soil carbon decomposition models rely on empirical relationships omitting key biogeochemical mechanisms and their response to climate change is highly uncertain. In this study, we developed a multi-layer microbial explicit soil decomposition model framework for boreal forest ecosystems. A thorough sensitivity analysis was conducted to identify dominating biogeochemical processes and to highlight structural limitations. Our results indicate that substrate availability (limited by soil water diffusion and substrate quality) is likely to be a major constraint on soil decomposition in the fibrous horizon (40-60% of soil organic carbon (SOC) pool size variation), while energy limited microbial activity in the amorphous horizon exerts a predominant control on soil decomposition (> 70% of SOC pool size variation). Elevated temperature alleviated the energy constraint of microbial activity most notably in amorphous soils, whereas moisture only exhibited a marginal effect on dissolved substrate supply and microbial activity. Our study highlights the different decomposition properties and underlying mechanisms of soil dynamics between fibrous and amorphous soil horizons. Soil decomposition models should consider explicitly representing different boreal soil horizons and soil-microbial interactions to better characterize biogeochemical processes in boreal forest ecosystems. A more comprehensive representation of critical biogeochemical mechanisms of soil moisture effects may be required to improve the performance of the soil model we analyzed in this study.
C1 [He, Y.; Zhuang, Q.; Liu, Y.] Purdue Univ, Dept Earth Atmospher & Planetary Sci, W Lafayette, IN 47907 USA.
[Zhuang, Q.] Purdue Univ, Dept Agron, W Lafayette, IN 47907 USA.
[Harden, J. W.] US Geol Survey, Menlo Pk, CA 94025 USA.
[McGuire, A. D.] Univ Alaska Fairbanks, US Geol Survey, Alaska Cooperat Fish & Wildlife Res Unit, Fairbanks, AK USA.
[Fan, Z.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA.
[Wickland, K. P.] US Geol Survey, Boulder, CO 80303 USA.
RP He, Y (reprint author), Purdue Univ, Dept Earth Atmospher & Planetary Sci, W Lafayette, IN 47907 USA.
EM he72@purdue.edu
RI Zhuang, Qianlai/A-5670-2009; He, Yujie/E-2514-2017;
OI He, Yujie/0000-0001-8261-5399; Wickland, Kimberly/0000-0002-6400-0590
FU NSF [DEB-0919331, NSF-0630319]; NASA [NASA-NNX09AI26G]; Department of
Energy [DE-FG02-08ER64599]; NSF Division of Information and Intelligent
Systems [NSF-1028291]; Bonanza Creek Long-Term Ecological Research
program - NSF the USDA Forest Service
FX We acknowledge with gratitude the intellectual advice from Steven D.
Allison, Eric A. Davidson, and Yingping Wang on various issues related
to the study. This research is supported with a NSF project
(DEB-0919331), the NSF Carbon and Water in the Earth program
(NSF-0630319), the NASA Land Use and Land Cover Change program
(NASA-NNX09AI26G), Department of Energy (DE-FG02-08ER64599), and the NSF
Division of Information and Intelligent Systems (NSF-1028291). Support
was also provided by Bonanza Creek Long-Term Ecological Research program
(funded jointly by NSF the USDA Forest Service).
NR 84
TC 8
Z9 8
U1 5
U2 33
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
EI 1726-4189
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2014
VL 11
IS 16
BP 4477
EP 4491
DI 10.5194/bg-11-4477-2014
PG 15
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA AO8MP
UT WOS:000341608900014
ER
PT J
AU Ma, PL
Rasch, PJ
Fast, JD
Easter, RC
Gustafson, WI
Liu, X
Ghan, SJ
Singh, B
AF Ma, P-L.
Rasch, P. J.
Fast, J. D.
Easter, R. C.
Gustafson, W. I., Jr.
Liu, X.
Ghan, S. J.
Singh, B.
TI Assessing the CAM5 physics suite in the WRF-Chem model: implementation,
resolution sensitivity, and a first evaluation for a regional case study
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID COMMUNITY ATMOSPHERE MODEL; GENERAL-CIRCULATION MODEL; WESTERN
UNITED-STATES; MESOSCALE CELLULAR STRUCTURES; CLOUD MICROPHYSICS SCHEME;
EARTH SYSTEM MODEL; CLIMATE MODEL; BLACK CARBON; PART I; INTERCOMPARISON
PROJECT
AB A suite of physical parameterizations (deep and shallow convection, turbulent boundary layer, aerosols, cloud microphysics, and cloud fraction) from the global climate model Community Atmosphere Model version 5.1 (CAM5) has been implemented in the regional model Weather Research and Forecasting with chemistry (WRF-Chem). A downscaling modeling framework with consistent physics has also been established in which both global and regional simulations use the same emissions and surface fluxes. The WRF-Chem model with the CAM5 physics suite is run at multiple horizontal resolutions over a domain encompassing the northern Pacific Ocean, northeast Asia, and northwest North America for April 2008 when the ARCTAS, ARCPAC, and ISDAC field campaigns took place. These simulations are evaluated against field campaign measurements, satellite retrievals, and ground-based observations, and are compared with simulations that use a set of common WRF-Chem parameterizations.
This manuscript describes the implementation of the CAM5 physics suite in WRF-Chem, provides an overview of the modeling framework and an initial evaluation of the simulated meteorology, clouds, and aerosols, and quantifies the resolution dependence of the cloud and aerosol parameterizations. We demonstrate that some of the CAM5 biases, such as high estimates of cloud susceptibility to aerosols and the underestimation of aerosol concentrations in the Arctic, can be reduced simply by increasing horizontal resolution. We also show that the CAM5 physics suite performs similarly to a set of parameterizations commonly used in WRF-Chem, but produces higher ice and liquid water condensate amounts and near-surface black carbon concentration. Further evaluations that use other mesoscale model parameterizations and perform other case studies are needed to infer whether one parameterization consistently produces results more consistent with observations.
C1 [Ma, P-L.; Rasch, P. J.; Fast, J. D.; Easter, R. C.; Gustafson, W. I., Jr.; Ghan, S. J.; Singh, B.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Liu, X.] Univ Wyoming, Dept Atmospher Sci, Laramie, WY 82071 USA.
RP Ma, PL (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
EM po-lun.ma@pnnl.gov
RI Gustafson, William/A-7732-2008; Liu, Xiaohong/E-9304-2011; Ma,
Po-Lun/G-7129-2015; Ghan, Steven/H-4301-2011
OI Gustafson, William/0000-0001-9927-1393; Liu,
Xiaohong/0000-0002-3994-5955; Ma, Po-Lun/0000-0003-3109-5316; Ghan,
Steven/0000-0001-8355-8699
FU DOE's Office of Science/Biological and Environmental Research; DOE;
Aerosol Climate Initiative within the Laboratory Directed Research and
Development (LDRD) program at the Pacific Northwest National Laboratory
(PNNL); DOE by Battelle Memorial Institute [DE-AC06-76RLO 1830]
FX We thank our internal reviewer Minghuai Wang for his constructive
comments on the manuscript. We thank Jennifer Comstock, Jiwen Fan,
Andrew Gettelman, Samson Hagos, Anne Jefferson, Lai-Yung (Ruby) Leung,
Kyo-Sun Lim, Greg McFarquhar, Hugh Morrison, John Ogren, Mikhail
Ovchinnikov, Sungsu Park, Yun Qian, Laura Riihimaki, Sangeeta Sharma,
Hailong Wang, Kai Zhang, Yang Zhang, and Chun Zhao for helpful
discussions and their advice with the model and various kinds of
observational data. The surface observational data used in this study
were obtained from the North Slope of Alaska site at Barrow, Alaska, a
United States Department of Energy (DOE) Atmospheric Radiation
Measurement Climate Research Facility. This work is primarily supported
by the DOE's Office of Science/Biological and Environmental Research,
through Earth System Modeling Program ("Interactions of Aerosol, Clouds,
and Precipitation in the Climate System" Science Focus Area). This work
is also supported by a DOE Early Career grant awarded to William I.
Gustafson Jr., and the Aerosol Climate Initiative within the Laboratory
Directed Research and Development (LDRD) program at the Pacific
Northwest National Laboratory (PNNL). PNNL is operated for DOE by
Battelle Memorial Institute under contract DE-AC06-76RLO 1830.
NR 133
TC 23
Z9 24
U1 1
U2 15
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 2014
VL 7
IS 3
BP 755
EP 778
DI 10.5194/gmd-7-755-2014
PG 24
WC Geosciences, Multidisciplinary
SC Geology
GA AO8JH
UT WOS:000341600100004
ER
PT J
AU Tesfa, TK
Li, HY
Leung, LR
Huang, M
Ke, Y
Sun, Y
Liu, Y
AF Tesfa, T. K.
Li, H-Y
Leung, L. R.
Huang, M.
Ke, Y.
Sun, Y.
Liu, Y.
TI A subbasin-based framework to represent land surface processes in an
Earth system model
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID SPATIAL VARIABILITY; OROGRAPHIC PRECIPITATION; HYDROLOGIC MODEL; DATA
RESOLUTION; SCALE; RUNOFF; PARAMETERIZATION; SIMULATIONS; WATER; SOIL
AB Realistically representing spatial heterogeneity and lateral land surface processes within and between modeling units in Earth system models is important because of their implications to surface energy and water exchanges. The traditional approach of using regular grids as computational units in land surface models may lead to inadequate representation of subgrid heterogeneity and lateral movements of water, energy and carbon fluxes. Here a subbasin-based framework is introduced in the Community Land Model (CLM), which is the land component of the Community Earth System Model (CESM). Local processes are represented in each subbasin on a pseudo-grid matrix with no significant modifications to the existing CLM modeling structure. Lateral routing of water within and between subbasins is simulated with the subbasin version of a recently developed physically based routing model, Model for Scale Adaptive River Transport (MOSART). The framework is implemented in two topographically and climatically contrasting regions of the US: the Pacific Northwest and the Midwest. The relative merits of this modeling framework, with greater emphasis on scalability (i.e., ability to perform consistently across spatial resolutions) in streamflow simulation compared to the grid-based modeling framework are investigated by performing simulations at 0.125 degrees, 0.25 degrees, 0.5 degrees, and 1 degrees spatial resolutions. Comparison of the two frameworks at the finest spatial resolution showed that a small difference between the averaged forcing could lead to a larger difference in the simulated runoff and streamflow because of nonlinear processes. More systematic comparisons conducted using statistical metrics calculated between each coarse resolution and the corresponding 0.125 degrees-resolution simulations showed superior scalability in simulating both peak and mean streamflow for the subbasin based over the grid-based modeling framework. Scalability advantages are driven by a combination of improved consistency in runoff generation and the routing processes across spatial resolutions.
C1 [Tesfa, T. K.; Li, H-Y; Leung, L. R.; Huang, M.; Liu, Y.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Ke, Y.] Capital Normal Univ, Dept Resource Environm & Tourism, Base State Key Lab Urban Environm Proc & Digital, Beijing 100048, Peoples R China.
[Sun, Y.] Tsinghua Univ, Dept Hydraul Engn, State Key Lab Hydrosci & Engn, Beijing 100084, Peoples R China.
RP Li, HY (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
EM hongyi.li@pnnl.gov
RI Li, Hong-Yi/C-9143-2014; Huang, Maoyi/I-8599-2012
OI Li, Hong-Yi/0000-0001-5690-3610; Huang, Maoyi/0000-0001-9154-9485
FU Office of Science of the US Department of Energy; US Department of
Energy [DE-AC06-76RLO1830]
FX This study is supported by the Office of Science of the US Department of
Energy as part of the Earth System Modeling and the Integrated
Assessment Research programs. The PNNL Platform for Regional Integrated
Modeling and Analysis (PRIMA) initiative supported the development of
various data sets and applications of the models to perform the
numerical experiments. The Pacific Northwest National Laboratory is
operated by Battelle for the US Department of Energy under Contract
DE-AC06-76RLO1830.
NR 55
TC 9
Z9 9
U1 1
U2 7
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1991-959X
EI 1991-9603
J9 GEOSCI MODEL DEV
JI Geosci. Model Dev.
PY 2014
VL 7
IS 3
BP 947
EP 963
DI 10.5194/gmd-7-947-2014
PG 17
WC Geosciences, Multidisciplinary
SC Geology
GA AO8JH
UT WOS:000341600100013
ER
PT J
AU Kaiser, JC
Hendricks, J
Righi, M
Riemer, N
Zaveri, RA
Metzger, S
Aquila, V
AF Kaiser, J. C.
Hendricks, J.
Righi, M.
Riemer, N.
Zaveri, R. A.
Metzger, S.
Aquila, V.
TI The MESSy aerosol submodel MADE3 (v2.0b): description and a box model
test
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID CHEMICAL-TRANSPORT MODEL; AIR-QUALITY; ACCOMMODATION COEFFICIENT;
SHIPPING EMISSIONS; SIZE DISTRIBUTION; RADIATION BUDGET; DYNAMICS MODEL;
CLIMATE IMPACT; SULFURIC-ACID; GLOBAL-MODEL
AB We introduce MADE3 (Modal Aerosol Dynamics model for Europe, adapted for global applications, 3rd generation; version: MADE3v2.0b), an aerosol dynamics submodel for application within the MESSy framework (Modular Earth Submodel System). MADE3 builds on the predecessor aerosol submodels MADE and MADE-in. Its main new features are the explicit representation of coarse mode particle interactions both with other particles and with condensable gases, and the inclusion of hydrochloric acid (HCl) / chloride (Cl) partitioning between the gas and condensed phases. The aerosol size distribution is represented in the new submodel as a superposition of nine lognormal modes: one for fully soluble particles, one for insoluble particles, and one for mixed particles in each of three size ranges (Aitken, accumulation, and coarse mode size ranges).
In order to assess the performance of MADE3 we compare it to its predecessor MADE and to the much more detailed particle-resolved aerosol model PartMC-MOSAIC in a box model simulation of an idealised marine boundary layer test case. MADE3 and MADE results are very similar, except in the coarse mode, where the aerosol is dominated by sea spray particles. Cl is reduced in MADE3 with respect to MADE due to the HCl/Cl partitioning that leads to Cl removal from the sea spray aerosol in our test case. Additionally, the aerosol nitrate concentration is higher in MADE3 due to the condensation of nitric acid on coarse mode particles. MADE3 and PartMC-MOSAIC show substantial differences in the fine particle size distributions (sizes greater than or similar to 2 mu m) that could be relevant when simulating climate effects on a global scale. Nevertheless, the agreement between MADE3 and PartMC-MOSAIC is very good when it comes to coarse particle size distributions (sizes greater than or similar to 2 mu m), and also in terms of aerosol composition. Considering these results and the well-established ability of MADE in reproducing observed aerosol loadings and composition, MADE3 seems suitable for application within a global model.
C1 [Kaiser, J. C.; Hendricks, J.; Righi, M.] Deutsch Zentrum Luft & Raumfahrt DLR, Inst Phys Atmosphare, Oberpfaffenhofen, Germany.
[Riemer, N.] Univ Illinois, Dept Atmospher Sci, Urbana, IL 61801 USA.
[Zaveri, R. A.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Metzger, S.] Cyprus Inst, Nicosia, Cyprus.
[Metzger, S.] Max Planck Inst Chem, D-55128 Mainz, Germany.
[Aquila, V.] Johns Hopkins Univ, Dept Earth & Planetary Sci, GESTAR, Baltimore, MD 21218 USA.
RP Kaiser, JC (reprint author), Deutsch Zentrum Luft & Raumfahrt DLR, Inst Phys Atmosphare, Oberpfaffenhofen, Germany.
EM christopher.kaiser@dlr.de
RI Righi, Mattia/I-5120-2013; Kaiser, Christopher/A-6939-2016; Zaveri,
Rahul/G-4076-2014; Aquila, Valentina/D-7267-2012;
OI Kaiser, Christopher/0000-0002-1578-9142; Zaveri,
Rahul/0000-0001-9874-8807; Aquila, Valentina/0000-0003-2060-6694; Righi,
Mattia/0000-0003-3827-5950
FU DLR transport programme; US Department of Energy Atmospheric System
Research Program [DE-AC06-76RLO 1830]; European Research Council under
the European Union [226144]; [NSF-AGS 1254428]
FX We thank B. Karcher, P. Jockel, and R. Sausen for constructive comments
that helped to improve our original manuscript. We are also grateful for
the feedback provided by H. Tost (as editor), an anonymous referee, and
F. Binkowski (as referee), that led to further improvement during the
review process. This study was supported by the DLR transport programme.
N. Riemer acknowledges funding from grant NSF-AGS 1254428. Participation
of R. A. Zaveri was supported by the US Department of Energy Atmospheric
System Research Program under contract DE-AC06-76RLO 1830 at Pacific
Northwest National Laboratory. S. Metzger received funding from the
European Research Council under the European Union's Seventh Framework
Programme (FP7/2007-2013)/ERC grant agreement no. 226144. The aerosol
model MADE was originally developed by the University of Cologne,
Germany (RIU/EURAD project).
NR 65
TC 4
Z9 4
U1 0
U2 14
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 2014
VL 7
IS 3
BP 1137
EP 1157
DI 10.5194/gmd-7-1137-2014
PG 21
WC Geosciences, Multidisciplinary
SC Geology
GA AO8JH
UT WOS:000341600100023
ER
PT J
AU Fyke, JG
Sacks, WJ
Lipscomb, WH
AF Fyke, J. G.
Sacks, W. J.
Lipscomb, W. H.
TI A technique for generating consistent ice sheet initial conditions for
coupled ice sheet/climate models
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID SEA-LEVEL RISE; LAST INTERGLACIAL PERIOD; EARTH SYSTEM MODEL;
MASS-BALANCE; CLIMATE-CHANGE; GLACIAL INCEPTION; TIME SCALES; GREENLAND;
SENSITIVITY; SIMULATIONS
AB A transient technique for generating ice sheet preindustrial initial conditions for long-term coupled ice sheet/climate model simulations is developed and demonstrated over the Greenland ice sheet using the Community Earth System Model (CESM). End-member paleoclimate simulations of the last glacial maximum, mid-Holocene optimum and the preindustrial are combined using weighting provided by ice core data time series to derive continuous energy-balance-model-derived surface mass balance and surface temperature fields, which are subsequently used to force a long transient ice sheet model simulation of the last glacial cycle, ending at the preindustrial. The procedure accounts for the evolution of climate through the last glacial period and converges to a simulated preindustrial ice sheet that is geometrically and thermodynamically consistent with the preindustrial CESM state, yet contains a transient memory of past climate. The preindustrial state generated using this technique notably improves upon the standard equilibrium spinup technique, relative to observations and other model studies, although in the demonstration we present here, large biases remain due primarily to climate model forcing biases. Ultimately, the method we describe provides a clear template for generating initial conditions for ice sheets within a fully coupled climate model framework that allows for the effects of past climate history to be self-consistently included in long-term simulations of the fully coupled ice sheet/climate system.
C1 [Fyke, J. G.; Lipscomb, W. H.] Los Alamos Natl Lab, Grp T3, Los Alamos, NM 87544 USA.
[Sacks, W. J.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
RP Fyke, JG (reprint author), Los Alamos Natl Lab, Grp T3, Los Alamos, NM 87544 USA.
EM fyke@lanl.gov
FU National Science Foundation [ANT-1103686]; Scientific Discovery through
Advanced Computing (SciDAC) project - US Department of Energy, Office of
Science, Advanced Scientific Computing Research and Biological and
Environmental Research (BER); Regional Arctic System Modeling project -
BER; National Science Foundation Office of Polar Programs; Office of
Science (BER) of the US Department of Energy
FX The authors wish to acknowledge Bette Otto-Bliesner and colleagues for
providing CESM simulation output. Support was provided by the National
Science Foundation through Award ANT-1103686 for William J. Sacks.
Support for William H. Lipscomb was also provided by the Scientific
Discovery through Advanced Computing (SciDAC) project funded by the US
Department of Energy, Office of Science, Advanced Scientific Computing
Research and Biological and Environmental Research (BER). Jeremy G. Fyke
was supported by the Regional Arctic System Modeling project funded by
BER and by the National Science Foundation Office of Polar Programs. The
CESM project is supported by the National Science Foundation and the
Office of Science (BER) of the US Department of Energy. NCAR is
sponsored by the National Science Foundation. The simulations were
carried out on the Yellowstone computing system (National Center for
Atmospheric Research, Computational and Information Systems Laboratory,
2014).
NR 52
TC 3
Z9 3
U1 1
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 2014
VL 7
IS 3
BP 1183
EP 1195
DI 10.5194/gmd-7-1183-2014
PG 13
WC Geosciences, Multidisciplinary
SC Geology
GA AO8JH
UT WOS:000341600100026
ER
PT J
AU Riley, WJ
Maggi, F
Kleber, M
Torn, MS
Tang, JY
Dwivedi, D
Guerry, N
AF Riley, W. J.
Maggi, F.
Kleber, M.
Torn, M. S.
Tang, J. Y.
Dwivedi, D.
Guerry, N.
TI Long residence times of rapidly decomposable soil organic matter:
application of a multi-phase, multi-component, and vertically resolved
model (BAMS1) to soil carbon dynamics
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID GRASSLAND SOILS; MICROBIAL COMMUNITIES; SPATIAL VARIABILITY; SUBSOIL
HORIZONS; CLIMATE-CHANGE; MINERAL SOILS; FOREST SOILS; C DYNAMICS;
TURNOVER; DECOMPOSITION
AB Accurate representation of soil organic matter (SOM) dynamics in Earth system models is critical for future climate prediction, yet large uncertainties exist regarding how, and to what extent, the suite of proposed relevant mechanisms should be included. To investigate how various mechanisms interact to influence SOM storage and dynamics, we developed an SOM reaction network integrated in a one-dimensional, multi-phase, and multi-component reactive transport solver. The model includes representations of bacterial and fungal activity, multiple archetypal polymeric and monomeric carbon substrate groups, aqueous chemistry, aqueous advection and diffusion, gaseous diffusion, and adsorption (and protection) and desorption from the soil mineral phase. The model predictions reasonably matched observed depth-resolved SOM and dissolved organic matter (DOM) stocks and fluxes, lignin content, and fungi to aerobic bacteria ratios. We performed a suite of sensitivity analyses under equilibrium and dynamic conditions to examine the role of dynamic sorption, microbial assimilation rates, and carbon inputs. To our knowledge, observations do not exist to fully test such a complicated model structure or to test the hypotheses used to explain observations of substantial storage of very old SOM below the rooting depth. Nevertheless, we demonstrated that a reasonable combination of sorption parameters, microbial biomass and necromass dynamics, and advective transport can match observations without resorting to an arbitrary depth-dependent decline in SOM turnover rates, as is often done. We conclude that, contrary to assertions derived from existing turnover time based model formulations, observed carbon content and Delta C-14 vertical profiles are consistent with a representation of SOM consisting of carbon compounds with relatively fast reaction rates, vertical aqueous transport, and dynamic protection on mineral surfaces.
C1 [Riley, W. J.; Torn, M. S.; Tang, J. Y.; Dwivedi, D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Climate & Carbon Dept, Earth Syst Div, Berkeley, CA 94720 USA.
[Maggi, F.; Guerry, N.] Univ Sydney, Sch Civil Engn, Sydney, NSW 2006, Australia.
[Kleber, M.] Oregon State Univ, Dept Crop & Soil Sci, Corvallis, OR 97331 USA.
[Kleber, M.] Leibniz Ctr Agr Landscape Res ZALF, Inst Soil Landscape Res, D-15374 Muncheberg, Germany.
RP Riley, WJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Climate & Carbon Dept, Earth Syst Div, Berkeley, CA 94720 USA.
EM wjriley@lbl.gov
RI Tang, Jinyun/M-4922-2013; Dwivedi, Dipankar/F-8725-2015; Riley,
William/D-3345-2015; Torn, Margaret/D-2305-2015
OI Tang, Jinyun/0000-0002-4792-1259; Dwivedi, Dipankar/0000-0003-1788-1900;
Riley, William/0000-0002-4615-2304;
FU Office of Science, Office of Biological and Environmental Research of
the US Department of Energy [DE-AC02-05CH11231]; University of Sydney,
Australia; Institute of Soil Landscape Research, Leibniz-Center for
Agricultural Landscape Research (ZALF), Muncheberg, Germany
FX This research was supported by the Director, Office of Science, Office
of Biological and Environmental Research of the US Department of Energy
under Contract #DE-AC02-05CH11231 as part of the Terrestrial Ecosystem
Science Program including the Next-Generation Ecosystem Experiments
(NGEE-Arctic) project. Federico Maggi and Nathan Guerry were partly
supported by the 2012-2013 International Program Development Fund of the
University of Sydney, Australia. The contributions of Markus Kleber were
supported by a research fellowship from the Institute of Soil Landscape
Research, Leibniz-Center for Agricultural Landscape Research (ZALF),
15374 Muncheberg, Germany. This work benefited from extensive data
contributions to the International Soil Carbon Network from the (i) USDA
Natural Resources Conservation Service, National Cooperative Soil
Survey, and (ii) the US Geological Survey.
NR 130
TC 20
Z9 20
U1 9
U2 68
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 2014
VL 7
IS 4
BP 1335
EP 1355
DI 10.5194/gmd-7-1335-2014
PG 21
WC Geosciences, Multidisciplinary
SC Geology
GA AO8KS
UT WOS:000341603900004
ER
PT J
AU Hejazi, MI
Edmonds, J
Clarke, L
Kyle, P
Davies, E
Chaturvedi, V
Wise, M
Patel, P
Eom, J
Calvin, K
AF Hejazi, M. I.
Edmonds, J.
Clarke, L.
Kyle, P.
Davies, E.
Chaturvedi, V.
Wise, M.
Patel, P.
Eom, J.
Calvin, K.
TI Integrated assessment of global water scarcity over the 21st century
under multiple climate change mitigation policies
SO HYDROLOGY AND EARTH SYSTEM SCIENCES
LA English
DT Article
ID HIGH-RESOLUTION; RESOURCES; MODEL; SCENARIOS; BALANCE; RUNOFF; FUTURE;
WORLD; SCALE; AVAILABILITY
AB Water scarcity conditions over the 21st century both globally and regionally are assessed in the context of climate change and climate mitigation policies, by estimating both water availability and water demand within the Global Change Assessment Model (GCAM), a leading community-integrated assessment model of energy, agriculture, climate, and water. To quantify changes in future water availability, a new gridded water-balance global hydrologic model - namely, the Global Water Availability Model (GWAM) - is developed and evaluated. Global water demands for six major demand sectors (irrigation, livestock, domestic, electricity generation, primary energy production, and manufacturing) are modeled in GCAM at the regional scale (14 geopolitical regions, 151 sub-regions) and then spatially downscaled to 0.5 degrees x 0.5 degrees resolution to match the scale of GWAM. Using a baseline scenario (i.e., no climate change mitigation policy) with radiative forcing reaching 8.8 W m(-2) (equivalent to the SRES A1Fi emission scenario) and three climate policy scenarios with increasing mitigation stringency of 7.7, 5.5, and 4.2 W m(-2) (equivalent to the SRES A2, B2, and B1 emission scenarios, respectively), we investigate the effects of emission mitigation policies on water scarcity. Two carbon tax regimes (a universal carbon tax (UCT) which includes land use change emissions, and a fossil fuel and industrial emissions carbon tax (FFICT) which excludes land use change emissions) are analyzed. The baseline scenario results in more than half of the world population living under extreme water scarcity by the end of the 21st century. Additionally, in years 2050 and 2095, 36% (28%) and 44% (39%) of the global population, respectively, is projected to live in grid cells (in basins) that will experience greater water demands than the amount of available water in a year (i.e., the water scarcity index (WSI) > 1.0). When comparing the climate policy scenarios to the baseline scenario while maintaining the same baseline socioeconomic assumptions, water scarcity declines under a UCT mitigation policy but increases with a FFICT mitigation scenario by the year 2095, particularly with more stringent climate mitigation targets. Under the FFICT scenario, water scarcity is projected to increase, driven by higher water demands for bio-energy crops.
C1 [Hejazi, M. I.; Edmonds, J.; Clarke, L.; Kyle, P.; Chaturvedi, V.; Wise, M.; Patel, P.; Eom, J.; Calvin, K.] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA.
[Davies, E.] Univ Alberta, Dept Civil & Environm Engn, Edmonton, AB T6G 2M7, Canada.
RP Hejazi, MI (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA.
EM mohamad.hejazi@pnnl.gov
RI Eom, Jiyong/A-1161-2014; Davies, Evan/A-3379-2008;
OI Davies, Evan/0000-0003-0536-333X; Calvin, Katherine/0000-0003-2191-4189
FU Integrated Assessment Research Program (IARP); Earth System Modeling
(ESM) Program in the Office of Science of the US Department of Energy
(DOE SC); DOE SC-IARP; Battelle for the US Department of Energy
[DE-AC05-76RL01830]
FX The authors are grateful for research support provided by the Integrated
Assessment Research Program (IARP) and the Earth System Modeling (ESM)
Program in the Office of Science of the US Department of Energy (DOE
SC). This research used Evergreen computing resources at the Pacific
Northwest National Laboratory's Joint Global Change Research Institute
at the University of Maryland in College Park, which is supported by DOE
SC-IARP. Pacific Northwest National Laboratory is operated by Battelle
for the US Department of Energy under contract DE-AC05-76RL01830. The
views and opinions expressed in this paper are those of the authors
alone.
NR 95
TC 13
Z9 13
U1 6
U2 28
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1027-5606
EI 1607-7938
J9 HYDROL EARTH SYST SC
JI Hydrol. Earth Syst. Sci.
PY 2014
VL 18
IS 8
BP 2859
EP 2883
DI 10.5194/hess-18-2859-2014
PG 25
WC Geosciences, Multidisciplinary; Water Resources
SC Geology; Water Resources
GA AO8IJ
UT WOS:000341597600004
ER
PT S
AU da Veiga, LB
Lipnikov, K
Manzini, G
AF da Veiga, Lourenco Beirao
Lipnikov, Konstantin
Manzini, Gianmarco
BA DaVeiga, LB
Lipnikov, K
Manzini, G
BF DaVeiga, LB
Lipnikov, K
Manzini, G
TI The Mimetic Finite Difference Method for Elliptic Problems Preface
SO MIMETIC FINITE DIFFERENCE METHOD FOR ELLIPTIC PROBLEMS
SE MS&A-Modeling Simulation and Applications
LA English
DT Editorial Material; Book Chapter
C1 [da Veiga, Lourenco Beirao] Univ Milan, Dipartimento Matemat Federico Enriques, I-20122 Milan, Italy.
[Lipnikov, Konstantin; Manzini, Gianmarco] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA.
RP da Veiga, LB (reprint author), Univ Milan, Dipartimento Matemat Federico Enriques, I-20122 Milan, Italy.
NR 0
TC 23
Z9 23
U1 0
U2 1
PU SPRINGER-VERLAG ITALIA
PI MILAN
PA MILAN, ITALY
SN 2037-5255
BN 978-3-319-02663-3; 978-3-319-02662-6
J9 MS A MOD SIMUL
PY 2014
VL 11
BP V
EP +
DI 10.1007/978-3-319-02663-3
D2 10.1007/978-3-319-02663-3
PG 23
WC Mathematics, Applied
SC Mathematics
GA BB2CR
UT WOS:000341651400001
ER
PT J
AU Maniadis, P
Tsimpanogiannis, IN
Kober, EM
Lookman, T
AF Maniadis, P.
Tsimpanogiannis, I. N.
Kober, E. M.
Lookman, T.
TI Morphology of diblock copolymers in porous media
SO MOLECULAR PHYSICS
LA English
DT Article; Proceedings Paper
CT Thermodynamics Conference
CY SEP 03-06, 2013
CL Manchester, UNITED KINGDOM
DE diblock copolymers; self-consistent field theory; self-assembly;
confinement; porous media
ID MONTE-CARLO-SIMULATION; FIELD-THEORETIC SIMULATIONS; BLOCK-COPOLYMERS;
THIN-FILMS; CYLINDRICAL CONFINEMENT; POLYMER-SOLUTIONS; CONFINING
GEOMETRIES; ULTRATHIN FILMS; PHASE-DIAGRAM; PORE
AB We study the self-assembly of a diblock copolymer melt confined within a porous medium with a prescribed regular two-dimensional geometry using self-consistent field theory. We find that the morphology of the polymer sensitively depends on the characteristic length scales of the porous material and the polymer radius of gyration (R-g). When the pore size is much larger than R-g, the polymer self-assembly is affected only locally close to the contact with the pore surface. However, when the size of the pores and the distance between them is comparable to the diblock characteristic length, novel morphologies appear and the polymer structure changes according to the constraints imposed by the porous material. We develop an interaction potential for the solid particle and copolymer, and show how this provides an understanding of the qualitative feature of the morphologies.
C1 [Maniadis, P.] Acad Sci Czech Republic, Inst Phys Mat, Brno, Czech Republic.
[Maniadis, P.; Kober, E. M.; Lookman, T.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA.
[Maniadis, P.; Kober, E. M.; Lookman, T.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
[Tsimpanogiannis, I. N.] Natl Ctr Sci Res Demokritos, Environm Res Lab, Athens, Greece.
RP Maniadis, P (reprint author), Acad Sci Czech Republic, Inst Phys Mat, Brno, Czech Republic.
EM maniadis@gmail.com
FU Czech Ministry of Education, Youth and Sport [CZ.1.07/2.3.00/20.0214]
FX P. Maniadis acknowledges the support provided by the Czech Ministry of
Education, Youth and Sport [grant number CZ.1.07/2.3.00/20.0214].
NR 85
TC 2
Z9 2
U1 6
U2 29
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 0026-8976
EI 1362-3028
J9 MOL PHYS
JI Mol. Phys.
PY 2014
VL 112
IS 17
BP 2297
EP 2309
DI 10.1080/00268976.2014.886736
PG 13
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AP0QB
UT WOS:000341766200011
ER
PT S
AU Jimenez-Mier, J
Olalde-Velasco, P
Yang, WL
Denlinger, J
AF Jimenez-Mier, J.
Olalde-Velasco, P.
Yang, W-L
Denlinger, J.
BE VazquezLopez, C
EspinosaGarcia, G
Moreno, JIGY
TI Transition Metal Atomic Multiplets in the Ligand K-Edge X-Ray Absorption
Spectra and Multiple Oxidation States in the L-2,L-3 Emission of
Strongly Correlated Compounds
SO RADIATION PHYSICS: X INTERNATIONAL PROCEEDINGS ON RADIATION PHYSICS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 10th International Symposium on Radiation Physics (ISRP)
CY APR 02-05, 2014
CL Univ Autonoma Chiapas, Mesoamerican Ctr Theoret Phys, Tuxtla Gutierrez,
MEXICO
SP Phys Div Mexican Phys Soc, Univ Ciencias & Artes Chiapas, Centro Latinoamericano Fis, Centro Invest & Estudios Avanzados IPN, Consejo Nacil Ciencia & Tecnologia, Univ Nacl Autonoma Mexico, Inst Fis
HO Univ Autonoma Chiapas, Mesoamerican Ctr Theoret Phys
DE Transition metal compounds; x-ray absorption and emission; oxidation
states
ID SPECTROSCOPY; SCATTERING
AB We present results that show that atomic multiplet ligand field calculations are in very good agreement with experimental x-ray absorption spectra at the L-2,L-3 edge of transition metal (TM) di-fluorides (MF2, M=Cr-Cto. For chromium more than one TM oxidation state is needed to achieve such an agreement. We also show that signature of the TM atomic multiplet can be :found at the pre-edge of the fluorine K-edge x-ray absorption spectra. TM atomic multiplet Ligand field calculations with a structureless core hole show good agreement with the observed pre-edges in the experimental fluorine absorption spectra. Preliminary results for the comparison between calculated and experimental resonant x-ray emission spectra for nominal CrF2 with more than one oxidation state indicate the presence of three chromium oxidation states in the bulk.
C1 [Jimenez-Mier, J.] Univ Nacl Autonoma Mexico, Inst Ciencias Nucl, Mexico City 04510, DF, Mexico.
[Olalde-Velasco, P.; Yang, W-L; Denlinger, J.] Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Olalde-Velasco, P.] Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland.
RP Jimenez-Mier, J (reprint author), Univ Nacl Autonoma Mexico, Inst Ciencias Nucl, Mexico City 04510, DF, Mexico.
RI Jimenez-Mier, Jose/A-5081-2009; Yang, Wanli/D-7183-2011
OI Jimenez-Mier, Jose/0000-0002-5939-9568; Yang, Wanli/0000-0003-0666-8063
FU DOE [DE-AC03-76sF0009]; CONACyT Mexico [56764]; CONACyT [0166436]; ALS
scientific
FX The Advanced Light Source is supported by DOE(DE-AC03-76sF0009). This
work was supported by CONACyT Mexico under research grant No. 56764. POV
would like to thank postdoctoral support from CONACyT under the
agreement 0166436 and from the ALS scientific support group.
NR 14
TC 1
Z9 1
U1 0
U2 2
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1243-9
J9 AIP CONF PROC
PY 2014
VL 1607
BP 39
EP 47
DI 10.1063/14890701
PG 9
WC Nuclear Science & Technology; Physics, Applied; Physics, Atomic,
Molecular & Chemical
SC Nuclear Science & Technology; Physics
GA BB2AF
UT WOS:000341567100005
ER
PT S
AU Ismail, A
AF Ismail, Ahmed
BE Szczerbinska, B
Allahverdi, R
Babu, K
Balantekin, B
Dutta, B
Kamon, T
Kumar, J
Sandick, P
TI Dark Matter Complementarity in the Phenomenological MSSM
SO WORKSHOP ON DARK MATTER, NEUTRINO PHYSICS AND ASTROPHYSICS CETUP 2013:
VIITH INTERNATIONAL CONFERENCE ON INTERCONNECTIONS BETWEEN PARTICLE
PHYSICS AND COSMOLOGY PPC 2013
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Workshop on Dark Matter, Neutrino Physics and Astrophysics (CETUP) - 7th
International Conference on Interconnections between Particle Physics
and Cosmology (PPC)
CY JUN 24-JUL 26, 2013
CL Lead, SD
SP Black Hills Vis, Chamber Commerce Deadwood, City Deadwood, Dakota Sci, Dakota State Univ, Dept Energy, John T Vucurevich Fdn, Lead Deadwood Sch Dist, Lodge Deadwood, Natl Sci Fdn, S Dakota Board Regents, S Dakota Governors Off Econ Dev, S Dakota Sci & Technol Author
DE Dark Matter
ID NEUTRALINO
AB The lightest neutralino of the Minimal Supersymmetric Standard Model (MSSM) with R-parity conservation is one of the most well-studied dark matter (DM) candidates. Using a set of models in the 19-parameter phenomenological MSSM (pMSSM), we examine the abilities of XENON100/1T, LUX-ZEPLIN, Fermi, CTA, IceCube/DeepCore, and the LHC to study neutralino dark matter. We find that direct detection, indirect detection, neutrino telescope, and collider searches for minimal supersymmetry often fulfill concomitant roles.
C1 Argonne Natl Lab, Argonne, IL 60439 USA.
RP Ismail, A (reprint author), Argonne Natl Lab, 9700 South Cass Rd, Argonne, IL 60439 USA.
NR 11
TC 1
Z9 1
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 978-0-7354-1238-5
J9 AIP CONF PROC
PY 2014
VL 1604
BP 53
EP 65
DI 10.1063/1.4883412
PG 13
WC Astronomy & Astrophysics; Physics, Applied; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA BB1ZQ
UT WOS:000341519000006
ER
PT S
AU Kayser, B
AF Kayser, Boris
BE Szczerbinska, B
Allahverdi, R
Babu, K
Balantekin, B
Dutta, B
Kamon, T
Kumar, J
Sandick, P
TI Are There Sterile Neutrinos?
SO WORKSHOP ON DARK MATTER, NEUTRINO PHYSICS AND ASTROPHYSICS CETUP 2013:
VIITH INTERNATIONAL CONFERENCE ON INTERCONNECTIONS BETWEEN PARTICLE
PHYSICS AND COSMOLOGY PPC 2013
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Workshop on Dark Matter, Neutrino Physics and Astrophysics (CETUP) - 7th
International Conference on Interconnections between Particle Physics
and Cosmology (PPC)
CY JUN 24-JUL 26, 2013
CL Lead, SD
SP Black Hills Vis, Chamber Commerce Deadwood, City Deadwood, Dakota Sci, Dakota State Univ, Dept Energy, John T Vucurevich Fdn, Lead Deadwood Sch Dist, Lodge Deadwood, Natl Sci Fdn, S Dakota Board Regents, S Dakota Governors Off Econ Dev, S Dakota Sci & Technol Author
DE Sterile neutrinos
AB We update the hints of the existence of sterile neutrinos.
C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Kayser, B (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
NR 15
TC 0
Z9 0
U1 0
U2 2
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1238-5
J9 AIP CONF PROC
PY 2014
VL 1604
BP 201
EP 203
DI 10.1063/1.4883431
PG 3
WC Astronomy & Astrophysics; Physics, Applied; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA BB1ZQ
UT WOS:000341519000025
ER
PT S
AU Davoudiasl, H
AF Davoudiasl, Hooman
BE Szczerbinska, B
Allahverdi, R
Babu, K
Balantekin, B
Dutta, B
Kamon, T
Kumar, J
Sandick, P
TI Hylogenesis and Annihilation of Nucleons by Dark Matter
SO WORKSHOP ON DARK MATTER, NEUTRINO PHYSICS AND ASTROPHYSICS CETUP 2013:
VIITH INTERNATIONAL CONFERENCE ON INTERCONNECTIONS BETWEEN PARTICLE
PHYSICS AND COSMOLOGY PPC 2013
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Workshop on Dark Matter, Neutrino Physics and Astrophysics (CETUP) - 7th
International Conference on Interconnections between Particle Physics
and Cosmology (PPC)
CY JUN 24-JUL 26, 2013
CL Lead, SD
SP Black Hills Vis, Chamber Commerce Deadwood, City Deadwood, Dakota Sci, Dakota State Univ, Dept Energy, John T Vucurevich Fdn, Lead Deadwood Sch Dist, Lodge Deadwood, Natl Sci Fdn, S Dakota Board Regents, S Dakota Governors Off Econ Dev, S Dakota Sci & Technol Author
DE Hylogenesis; Asymmetric Dark Matter; Induced Nucleon Decay; Nucleon
Decay Experiments; LHC; Astrophysics
ID NEUTRINOS; MASS
AB In this talk, we briefly present hylogenesis - a unified scenario for simultaneous generation of asymmetric dark matter (ADM) and visible baryons in the early Universe - and some of its experimental implications. A particularly interesting signature of hylogenesis is induced nucleon decay (IND), that is the possibility of baryon destruction in scattering from ADM. For some motivated range of parameters, IND can result in potentially observable signals in nucleon decay experiments. We also briefly discuss other signals of hylogenesis, including collider physics and astrophysical implications of IND.
C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
RP Davoudiasl, H (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
NR 20
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 978-0-7354-1238-5
J9 AIP CONF PROC
PY 2014
VL 1604
BP 319
EP 323
DI 10.1063/1.4883447
PG 5
WC Astronomy & Astrophysics; Physics, Applied; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA BB1ZQ
UT WOS:000341519000041
ER
PT S
AU Martin, RD
Abgrall, N
Aguayo, E
Avignone, FT
Barabash, AS
Bertrand, FE
Boswell, M
Brudanin, V
Busch, M
Caldwell, AS
Chan, YD
Christofferson, CD
Combs, DC
Detwiler, JA
Doe, PJ
Efremenko, Y
Egorov, V
Ejiri, H
Elliott, SR
Esterline, J
Fast, JE
Finnerty, P
Fraenkle, FM
Galindo-Uribarri, A
Giovanetti, GK
Goett, J
Green, MP
Gruszko, J
Guiseppe, VE
Gusev, K
Hallin, AL
Hazama, R
Hegai, A
Henning, R
Hoppe, EW
Howard, S
Howe, MA
Keeter, KJ
Kidd, MF
Kochetov, O
Konovalov, SI
Kouzes, RT
LaFerriere, BD
Leon, J
Leviner, LE
Loach, JC
MacMullin, J
MacMullin, S
Mertens, S
Mizouni, L
Nomachi, M
Orrell, JL
O'Shaughnessy, C
Overman, NR
Phillips, DG
Poon, AWP
Pushkin, K
Radford, DC
Rielage, K
Robertson, RGH
Romero-Romero, E
Ronquest, MC
Schubert, AG
Shanks, B
Shima, T
Shirchenko, M
Snavely, KJ
Snyder, N
Soin, A
Suriano, AM
Thompson, J
Timkin, V
Tornow, W
Varner, RL
Vasilyev, S
Vetter, K
Vorren, K
White, BR
Wilkerson, JF
Xu, W
Yakushev, E
Young, AR
Yu, CH
Yumatov, V
AF Martin, R. D.
Abgrall, N.
Aguayo, E.
Avignone, F. T., III
Barabash, A. S.
Bertrand, F. E.
Boswell, M.
Brudanin, V.
Busch, M.
Caldwell, A. S.
Chan, Y-D.
Christofferson, C. D.
Combs, D. C.
Detwiler, J. A.
Doe, P. J.
Efremenko, Yu.
Egorov, V.
Ejiri, H.
Elliott, S. R.
Esterline, J.
Fast, J. E.
Finnerty, P.
Fraenkle, F. M.
Galindo-Uribarri, A.
Giovanetti, G. K.
Goett, J.
Green, M. P.
Gruszko, J.
Guiseppe, V. E.
Gusev, K.
Hallin, A. L.
Hazama, R.
Hegai, A.
Henning, R.
Hoppe, E. W.
Howard, S.
Howe, M. A.
Keeter, K. J.
Kidd, M. F.
Kochetov, O.
Konovalov, S. I.
Kouzes, R. T.
LaFerriere, B. D.
Leon, J.
Leviner, L. E.
Loach, J. C.
MacMullin, J.
MacMullin, S.
Mertens, S.
Mizouni, L.
Nomachi, M.
Orrell, J. L.
O'Shaughnessy, C.
Overman, N. R.
Phillips, D. G., II
Poon, A. W. P.
Pushkin, K.
Radford, D. C.
Rielage, K.
Robertson, R. G. H.
Romero-Romero, E.
Ronquest, M. C.
Schubert, A. G.
Shanks, B.
Shima, T.
Shirchenko, M.
Snavely, K. J.
Snyder, N.
Soin, A.
Suriano, A. M.
Thompson, J.
Timkin, V.
Tornow, W.
Varner, R. L.
Vasilyev, S.
Vetter, K.
Vorren, K.
White, B. R.
Wilkerson, J. F.
Xu, W.
Yakushev, E.
Young, A. R.
Yu, C. -H.
Yumatov, V.
BE Szczerbinska, B
Allahverdi, R
Babu, K
Balantekin, B
Dutta, B
Kamon, T
Kumar, J
Sandick, P
TI Status of the MAJORANA DEMONSTRATOR experiment
SO WORKSHOP ON DARK MATTER, NEUTRINO PHYSICS AND ASTROPHYSICS CETUP 2013:
VIITH INTERNATIONAL CONFERENCE ON INTERCONNECTIONS BETWEEN PARTICLE
PHYSICS AND COSMOLOGY PPC 2013
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Workshop on Dark Matter, Neutrino Physics and Astrophysics (CETUP) - 7th
International Conference on Interconnections between Particle Physics
and Cosmology (PPC)
CY JUN 24-JUL 26, 2013
CL Lead, SD
SP Black Hills Vis, Chamber Commerce Deadwood, City Deadwood, Dakota Sci, Dakota State Univ, Dept Energy, John T Vucurevich Fdn, Lead Deadwood Sch Dist, Lodge Deadwood, Natl Sci Fdn, S Dakota Board Regents, S Dakota Governors Off Econ Dev, S Dakota Sci & Technol Author
DE Neutrinoless double beta-decay; germanium; PPC
ID DOUBLE-BETA DECAY; DETECTORS; SEARCHES; CONTACT; SIGNALS
AB The MAJORANA DEMONSTRATOR neutrinoless double beta-decay experiment is currently under construction at the Sanford Underground Research Facility in South Dakota, USA. An overview and status of the experiment are given.
C1 [Martin, R. D.; Abgrall, N.; Chan, Y-D.; Hegai, A.; Loach, J. C.; Mertens, S.; Poon, A. W. P.; Vetter, K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA.
RP Martin, RD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
RI Xu, Wenqin/H-7553-2014; radford, David/A-3928-2015; Barabash,
Alexander/S-8851-2016;
OI Xu, Wenqin/0000-0002-5976-4991; Green, Matthew/0000-0002-1958-8030;
Goett, Johnny/0000-0002-3685-2227; Rielage, Keith/0000-0002-7392-7152
NR 33
TC 1
Z9 1
U1 0
U2 3
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1238-5
J9 AIP CONF PROC
PY 2014
VL 1604
BP 413
EP 420
DI 10.1063/1.4883459
PG 8
WC Astronomy & Astrophysics; Physics, Applied; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA BB1ZQ
UT WOS:000341519000053
ER
PT S
AU Joung, M
Woo, MH
Jeong, JH
Hahn, SH
Yun, SW
Lee, WR
Bae, YS
Oh, YK
Kwak, JG
Yang, HL
Namkung, W
Park, H
Cho, MH
Kim, MH
Kim, KJ
Na, YS
Hosea, J
Ellis, R
AF Joung, M.
Woo, M. H.
Jeong, J. H.
Hahn, S. H.
Yun, S. W.
Lee, W. R.
Bae, Y. S.
Oh, Y. K.
Kwak, J. G.
Yang, H. L.
Namkung, W.
Park, H.
Cho, M. H.
Kim, M. H.
Kim, K. J.
Na, Y. S.
Hosea, J.
Ellis, R.
BE Tuccillo, AA
Ceccuzzi, S
TI Real Time MHD Mode Control Using ECCD in KSTAR: Plan and Requirements
SO RADIOFREQUENCY POWER IN PLASMAS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 20th Topical Conference on Radio Frequency Power in Plasmas
CY JUN 25-28, 2013
CL Sorrento, ITALY
SP Italian Natl Agcy New Technologies, Energy & Sustainable Econ Dev
DE NTM; Suppression; Real time control; ECH; Steerable Mirror; KSTAR
AB For a high-performance, advanced tokamak mode in KSTAR, we have been developing a real-time control system of MHD modes such as sawtooth and Neo-classical Tearing Mode (NTM) by ECH/ECCD. The active feedback control loop will be also added to the mirror position and the real-time detection of the mode position. In this year, for the stabilization of NTM that is crucial to plasma performance we have implemented open-loop ECH antenna control system in KSTAR Plasma Control System (PCS) for ECH mirror movement during a single plasma discharge. KSTAR 170 GHz ECH launcher which was designed and fabricated by collaboration with PPPL and POSTECH has a final mirror of a poloidally and toroidally steerable mirror. The poloidal steering motion is only controlled in the real-time NTM control system and its maximum steering speed is 10 degree/sec by DC motor. However, the latency of the mirror control system and the return period of ECH antenna mirror angle are not fast because the existing launcher mirror control system is based on PLC which is connected to the KSTAR machine network through serial to LAN converter. In this paper, we present the design of real time NTM control system, ECH requirements, and the upgrade plan.
C1 [Joung, M.; Woo, M. H.; Jeong, J. H.; Hahn, S. H.; Yun, S. W.; Lee, W. R.; Bae, Y. S.; Oh, Y. K.; Kwak, J. G.; Yang, H. L.] Natl Fus Res Inst, 52 Eoeun Dong, Taejon, South Korea.
[Namkung, W.; Park, H.; Cho, M. H.] POSTECH, Dept Phys, Gyeongangbukdo, South Korea.
[Kim, M. H.; Kim, K. J.; Na, Y. S.] Seoul Natl Univ Daehakdong, Dept Nucl Engn, Seoul, South Korea.
[Hosea, J.; Ellis, R.] Princeton Plasma Phys Lab, Princeton, NJ 08542 USA.
RP Joung, M (reprint author), Natl Fus Res Inst, 52 Eoeun Dong, Taejon, South Korea.
FU Korea Minister of Science; ICT
FX This work was supported by Korea Minister of Science, ICT & Future
Planning under the KSTAR project.
NR 9
TC 1
Z9 1
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 978-0-7354-1210-1
J9 AIP CONF PROC
PY 2014
VL 1580
BP 506
EP 509
DI 10.1063/1.4864599
PG 4
WC Physics, Applied; Physics, Fluids & Plasmas
SC Physics
GA BA9NY
UT WOS:000339626400104
ER
PT S
AU Markauskas, E
Gecys, P
Raciukaitis, G
Repins, I
Beall, C
AF Markauskas, E.
Gecys, P.
Raciukaitis, G.
Repins, I.
Beall, C.
BE Grigonis, A
Silinskas, M
Laukaitis, G
Vengalis, B
Pranevicius, LL
Naujokaitis, R
Galdikas, A
Onufrijevs, P
TI PICOSECOND LASER PATTERNING OF CZTSe THIN-FILM SOLAR CELLS
SO 5TH INTERNATIONAL CONFERENCE RADIATION INTERACTION WITH MATERIALS:
FUNDAMENTALS AND APPLICATIONS 2014
SE Radiation Interaction with Materials and Its Use in Technologies
LA English
DT Proceedings Paper
CT 5th International Conference on Radiation Interaction with Materials:
Fundamentals and Applications 2014
CY MAY 12-15, 2014
CL Kaunas Univ Technol, Dept Phys, Kaunas, LITHUANIA
SP Kaunas Univ Technol, Hydrogen Energy Assoc, Vytautas Magnus Univ, Lithuanian Energy Inst, Riga Tech Univ
HO Kaunas Univ Technol, Dept Phys
DE CZTSe; solar cell; lift-off; picosecond laser ablation
AB Cu2ZnSnSe4 (CZTSe) kesterite thin-film solar cells become more attractive for their rapidly increasing efficiency and utilization of cheaper and more abundant constituent elements. On the other hand, after the transition to full scale modules, efficiency of the device might be maintained if small segments are interconnected in series to reduce high photocurrent and resistance losses. In our work we utilized 10 and 60 ps duration laser pulses for CZTSe solar cell front-side processing based on laser-induced material lift-off process. Influence of laser pulse duration to a material lift-off effect, together with SEM images, EDS and Raman analysis was studied.
C1 [Markauskas, E.; Gecys, P.; Raciukaitis, G.] Ctr Phys Sci & Technol, Savanoriu Ave 231, LT-02300 Vilnius, Lithuania.
[Repins, I.; Beall, C.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Markauskas, E (reprint author), Ctr Phys Sci & Technol, Savanoriu Ave 231, LT-02300 Vilnius, Lithuania.
EM edgaras.markauskas@ftmc.lt
NR 3
TC 0
Z9 0
U1 0
U2 0
PU KAUNAS UNIV TECHNOLOGY PRESS
PI KAUNAS
PA K DONELAICIO 73, KAUNAS LT 3006, LITHUANIA
SN 1822-508X
J9 RAD INT MAT TECH
PY 2014
BP 333
EP +
PG 2
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics,
Multidisciplinary
SC Energy & Fuels; Materials Science; Physics
GA BB1QP
UT WOS:000341272900089
ER
PT J
AU Pyatina, T
Sugama, T
Gill, S
AF Pyatina, Tatiana
Sugama, Toshifumi
Gill, Simerjeet
TI Retarders' effects on some properties of class G cement cured at 80
degrees C
SO ADVANCES IN CEMENT RESEARCH
LA English
DT Article
ID PORTLAND-CEMENT; ALKALINE-DEGRADATION; HYDRATION; LIGNOSULFONATE;
CALORIMETRY; ALUMINATE; CARBONATE
AB Cement set retarders must assure a predictable time for the cement solidifying at target temperatures to prevent the catastrophic event of cement setting inside a casing and to avoid losses in time and money while waiting on cements with long hardening times. They also must not compromise set cement properties. Calorimetric tests, with sodium lignosulfonate retarder treated at a high pH of 13.4 and temperature of 90 degrees C (SLS-13) revealed a predictable linear change of the class G cement's setting time at temperatures between 50 and 90 degrees C. Comparison of the solid-phase properties of cement hydrated alone or in the presence of several common retarders with those of SLS-13 retarded cement demonstrated that for cements with a similar extent of hydration held at 80 degrees C, SLS-13 improved their compressive strength, decreased the number of voids in the cement body and assured a more compact and less porous morphology. The paper presents comparative thermogravimetric analyses, X-ray diffraction and scanning electron microscopy results of the microproperties of cement hydrated in the presence of sodium gluconate, poly(4-styrenesulfonic acid-co-maleic acid) sodium salt, sodium lignosulfonate or SLS-13 for 17 h at 80 degrees C.
C1 [Pyatina, Tatiana; Sugama, Toshifumi; Gill, Simerjeet] Brookhaven Natl Lab, Sustainable Energy Technol Dept, Upton, NY 11973 USA.
RP Pyatina, T (reprint author), Brookhaven Natl Lab, Sustainable Energy Technol Dept, Upton, NY 11973 USA.
FU US Department of Energy, Office of Basic Energy Sciences
[DE-AC02-98CH10886]
FX The authors would like to thank Kim Kisslinger and the Center for
Functional Nanomaterials, Brookhaven National Laboratory, supported by
the US Department of Energy, Office of Basic Energy Sciences, under
contract DE-AC02-98CH10886 for the use of SEM and EDX instrument.
NR 22
TC 2
Z9 2
U1 1
U2 5
PU ICE PUBLISHING
PI WESTMINISTER
PA INST CIVIL ENGINEERS, 1 GREAT GEORGE ST, WESTMINISTER SW 1P 3AA, ENGLAND
SN 0951-7197
EI 1751-7605
J9 ADV CEM RES
JI Adv. Cem. Res.
PY 2014
VL 26
IS 4
BP 205
EP 212
DI 10.1680/adcr.13.00022
PG 8
WC Construction & Building Technology; Materials Science, Multidisciplinary
SC Construction & Building Technology; Materials Science
GA AO5BP
UT WOS:000341356300004
ER
PT J
AU Das, T
Markiewicz, RS
Bansil, A
AF Das, Tanmoy
Markiewicz, R. S.
Bansil, A.
TI Intermediate coupling model of the cuprates
SO ADVANCES IN PHYSICS
LA English
DT Review
DE superconductivity; cuprates; intermediate coupling
ID HIGH-TEMPERATURE SUPERCONDUCTORS; DYNAMICAL MEAN-FIELD;
X-RAY-SCATTERING; ANGLE-RESOLVED PHOTOEMISSION; T-C SUPERCONDUCTOR;
COPPER-OXIDE SUPERCONDUCTORS; CORRELATED ELECTRON-SYSTEMS; MUFFIN-TIN
ALLOYS; 2-DIMENSIONAL ANGULAR-CORRELATION;
COHERENT-POTENTIAL-APPROXIMATION
AB We review the intermediate coupling model for treating electronic correlations in the cuprates. Spectral signatures of the intermediate coupling scenario are identified and used to adduce that the cuprates fall in the intermediate rather than the weak or the strong coupling limits. A robust, 'beyond local-density approximation' framework for obtaining wide-ranging properties of the cuprates via a GW-approximation based self-consistent self-energy correction for incorporating correlation effects is delineated. In this way, doping-and temperature-dependent spectra, from the undoped insulator to the overdoped metal, in the normal as well as the superconducting state, with features of both weak and strong coupling can be modeled in a material-specific manner with very few parameters. Efficacy of the model is shown by considering available spectroscopic data on electron-and hole-doped cuprates from angle-resolved photoemission, scanning tunneling microscopy/spectroscopy, neutron scattering, inelastic light scattering, optical and other experiments. Generalizations to treat systems with multiple correlated bands such as the heavy-fermions, the ruthenates and the actinides are discussed.
C1 [Das, Tanmoy; Markiewicz, R. S.; Bansil, A.] Northeastern Univ, Dept Phys, Boston, MA 02115 USA.
[Das, Tanmoy] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA.
RP Bansil, A (reprint author), Northeastern Univ, Dept Phys, Boston, MA 02115 USA.
EM ar.bansil@neu.edu
FU US Department of Energy (DOE), Office of Science, Basic Energy Sciences
[DE-FG02-07ER46352]; U.S.D.O.E [DE-FG02-08ER46540, DE-SC0007091]; DOE
[DE-AC02-05CH11231]
FX It is a pleasure for us to acknowledge our many theoretical and
experimental colleagues for collaborations and discussions over the
years: T. Ahmed, W. Al-Sawai, Y. Ando, V. Arpiainen, M. C. Asensio, J.
Avila, A. V. Balatsky, B. Barbiellini, S. Basak, S. V. Borisenko, M. C.
Boyer, R. Cantelli, K. Chatterjee, Y. L. Chen, F. Cordero, T. P.
Devereaux, H. Eisaki, J. Fink, A. Fujimori, M. Fujita, J.-M. Gillet, M.
J. Graf, G. D. Gu, F. Guinea, M.Z. Hasan, R. H. He, Y. He, V. Hinkov, J.
E. Hoffman, D. Hsieh, E. W. Hudson, Z. Hussain, H. Ikuta, M. Itou, Y.
Kaga, T. Kakeshita, S. Kaprzyk, J. J. Kas, B. Keimer, S. Komiya, T.
Kondo, A. A. Kordyuk, C. Kusko, A. Lanzara, W. S. Lee, Y. W. Li, H. Lin,
M. Lindroos, J. Lorenzana, D. H. Lu, N. Mannella, W. Meevasana, P. E.
Mijnarends, P. Mistark, N. Nagaosa, J. Nieminen, A. Paolone, D. Qian, J.
J. Rehr, L. Roca, S. Sachdev, S. Sahrakorpi, Y. Sakurai, T. Sasagawa, G.
Seibold, Z.-X. Shen, A. Soumyanarayanan, I. Suominen, K. Tanaka, H.
Takagi, T. Takeuchi, W. X. Ti, A. Tejeda, S. Uchida, F. D. Vila, M. A.
H. Vozmediano, S. Wakimoto, Y. J. Wang, J. Wen, W. D. Wise, L. Wray, Y.
Xia, J. W. Xiong, Z. Xu, K. Yamada, M. M. Yee, T. Yoshida, W. L. Yang,
Y. Yin, J. Zaanen, M. Zech, I. Zeljkovic, Z. X. Zhao, X. J. Zhou, F.
Zhou and J.-X. Zhu. This work was supported by the US Department of
Energy (DOE), Office of Science, Basic Energy Sciences contract number
DE-FG02-07ER46352, and benefited from Northeastern University's Advanced
Scientific Computation Center (ASCC), theory support at the Advanced
Light Source, Berkeley, the Computational Materials and Chemical
Sciences Network (CMCSN) program of the Division of Materials Science
and Engineering, U.S.D.O.E under grant numbers DE-FG02-08ER46540 and
DE-SC0007091, and the allocation of time at the NERSC supercomputing
center through DOE grant number DE-AC02-05CH11231.
NR 470
TC 19
Z9 19
U1 5
U2 44
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 0001-8732
EI 1460-6976
J9 ADV PHYS
JI Adv. Phys.
PY 2014
VL 63
IS 3
BP 151
EP 266
DI 10.1080/00018732.2014.940227
PG 116
WC Physics, Condensed Matter
SC Physics
GA AO7IB
UT WOS:000341525300001
ER
PT J
AU Alemayehu, AB
Vazquez-Lima, H
Beavers, CM
Gagnon, KJ
Bendix, J
Ghosh, A
AF Alemayehu, Abraham B.
Vazquez-Lima, Hugo
Beavers, Christine M.
Gagnon, Kevin J.
Bendix, Jesper
Ghosh, Abhik
TI Platinum corroles
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID TRANSITION-METAL CORROLES; PARAMAGNETIC RESONANCE; NONINNOCENT LIGANDS;
MOLECULAR-STRUCTURE; METALLOCORROLES; COMPLEXES; INSIGHTS; COPPER;
TRIARYLCORROLES; REACTIVITY
AB Platinum has been inserted into corroles for the first time and three oxidized Pt-IV(corrole(center dot 2-))ArAr' complexes have been structurally characterized. The Soret maxima of these complexes exhibit an unusually strong dependence on the meso-aryl substituents on the corrole, indicating aryl -> corrole(center dot 2-) charge transfer character in these transitions.
C1 [Alemayehu, Abraham B.; Vazquez-Lima, Hugo; Ghosh, Abhik] Arctic Univ Norway, Dept Chem, N-9037 Tromso, Norway.
[Alemayehu, Abraham B.; Vazquez-Lima, Hugo; Ghosh, Abhik] Arctic Univ Norway, UiT, Ctr Theoret & Computat Chem, N-9037 Tromso, Norway.
[Beavers, Christine M.; Gagnon, Kevin J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Bendix, Jesper] Univ Copenhagen, Dept Chem, DK-2100 Copenhagen, Denmark.
RP Ghosh, A (reprint author), Arctic Univ Norway, Dept Chem, N-9037 Tromso, Norway.
EM abhik.ghosh@uit.no
RI Beavers, Christine/C-3539-2009; Bendix, Jesper/H-5468-2012; Ghosh,
Abhik/G-8164-2016;
OI Beavers, Christine/0000-0001-8653-5513; Bendix,
Jesper/0000-0003-1255-2868; Ghosh, Abhik/0000-0003-1161-6364; Alemayehu,
Abraham/0000-0003-0166-8937
FU Research Council of Norway; Danish Research Council; Advanced Light
Source, Berkeley; Director, Office of Science, Office of Basic Energy
Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]
FX This work was supported by the Research Council of Norway (AG), the
Danish Research Council (JB) and the Advanced Light Source, Berkeley.
The Advanced Light Source is supported by the Director, Office of
Science, Office of Basic Energy Sciences, of the U.S. Department of
Energy under Contract No. DE-AC02-05CH11231.
NR 26
TC 22
Z9 22
U1 1
U2 20
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 2014
VL 50
IS 76
BP 11093
EP 11096
DI 10.1039/c4cc02548b
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA AO5CF
UT WOS:000341358600003
PM 24911328
ER
PT J
AU Liu, ZW
Wang, HL
Cotlet, M
AF Liu, Zhongwei
Wang, Hsing-Lin
Cotlet, Mircea
TI DNA sequence-dependent photoluminescence enhancement in a cationic
conjugated polyelectrolyte
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID CHAIN CONFORMATION; OPTICAL-PROPERTIES; LABEL-FREE; POLYMERS; COMPLEXES;
DERIVATIVES; VINYLENE)
AB DNA sequence-dependent photoluminescence enhancement is found for a cationic polyelectrolyte complexed with single stranded DNA and described as a result of an interplay between electrostatic attraction and the pi-pi stacking between the polyelectrolyte's backbone and DNA's bases.
C1 [Liu, Zhongwei; Cotlet, Mircea] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Liu, Zhongwei; Cotlet, Mircea] SUNY Stony Brook, Mat Sci & Engn Dept, Stony Brook, NY 11794 USA.
[Wang, Hsing-Lin] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA.
RP Wang, HL (reprint author), Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA.
EM hwang@lanl.gov
RI Liu, Zhongwei/F-1327-2017
OI Liu, Zhongwei/0000-0002-2678-3125
FU U.S. Department of Energy, Office of Basic Energy Sciences
[DE-AC02-98CH10886]; Biomaterials Program of the Division of Materials
Science and Engineering, Office of Basic Energy Sciences
FX Research was carried out at the Center for Functional Nanomaterials,
Brookhaven National Laboratory supported by the U.S. Department of
Energy, Office of Basic Energy Sciences, Contract No. DE-AC02-98CH10886
(M.C., Z.L.) and by the Biomaterials Program of the Division of
Materials Science and Engineering, Office of Basic Energy Sciences
(H.L.W.). We thank Fang Lu from Brookhaven Laboratory and Prahlad K.
Routh from Stony Brook University for help with some of the experiments
reported herein.
NR 22
TC 6
Z9 6
U1 1
U2 18
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 2014
VL 50
IS 77
BP 11311
EP 11313
DI 10.1039/c4cc03417a
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA AO5CI
UT WOS:000341359000008
PM 25116341
ER
PT J
AU Dash, JK
Chen, L
Lu, TM
Wang, GC
Zhang, LH
Kisslinger, K
AF Dash, J. K.
Chen, L.
Lu, T. -M.
Wang, G. -C.
Zhang, L. H.
Kisslinger, K.
TI Metal-enhanced Ge1-xSnx alloy film growth on glass substrates using a
biaxial CaF2 buffer layer
SO CRYSTENGCOMM
LA English
DT Article
ID RAMAN-SCATTERING; CAF2(111) SURFACE; GE; SN; DIFFUSIVITY; EPITAXY; GAP
AB Ge1-xSnx alloyed films were grown on glass substrates by sequential physical vapor deposition of a biaxial CaF2 buffer layer and a Sn heteroepitaxial layer at room temperature, followed by a Ge layer grown at low temperatures (200-350 degrees C). The predeposited Sn on the CaF2 layer enhances Ge diffusion and crystallization. Sn is substituted into the Ge lattice to form a biaxial Ge1-xSnx alloyed film. The epitaxial relationships were obtained from X-ray pole figures of the samples with Ge1-xSnx <<(1)over bar > 01>parallel to CaF2 <(1) over bar 01 > and Ge1-xSnx <<(1)over bar > 10>parallel to CaF2 <(1) over bar 10 >. Crystallization and biaxial texture formation start at about 200 degrees C with the best biaxial Ge1-xSnx film grown at about 300 degrees C, which is 100 degrees C lower than the growth temperature of biaxial pure Ge film without Sn on the CaF2/glass substrate. The microstructure, texture and Sn concentration of the Ge1-xSnx films were characterized by X-ray diffraction, X-ray pole figure analysis, and transmission electron microscopy. The spatial chemical composition of Sn in Ge1-xSnx was measured by energy-dispersive X-ray spectroscopy and was found to be nearly uniform throughout the thickness of the alloyed film. Raman spectra show shifts of Ge-Ge, Ge-Sn, and Sn-Sn vibration modes due to the percentage change of substitutional Sn in Ge as a function of growth temperature. This growth method is an alternative cost-effective way to grow biaxial semiconductor films on amorphous substrates.
C1 [Dash, J. K.; Chen, L.; Lu, T. -M.; Wang, G. -C.] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA.
[Zhang, L. H.; Kisslinger, K.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
RP Dash, JK (reprint author), Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, 110 8th St, Troy, NY 12180 USA.
EM jatiskumar@gmail.com
RI Zhang, Lihua/F-4502-2014; Kisslinger, Kim/F-4485-2014; chen,
liang/L-9868-2013
OI chen, liang/0000-0002-1680-2628
FU NSF [DMR-1104786]; New York State Foundation for Science, Technology and
Innovation (NYSTAR) through Focus Center-New York, Rensselaer; Center
for Functional Nanomaterials, Brookhaven National Laboratory
[DE-AC02-98CH10886]
FX This work is supported by NSF DMR-1104786, New York State Foundation for
Science, Technology and Innovation (NYSTAR) through Focus Center-New
York, Rensselaer. TEM was carried out in whole at the Center for
Functional Nanomaterials, Brookhaven National Laboratory, which is
operated by the U.S. Department of Energy, Office of Basic Energy
Sciences, under contract no. DE-AC02-98CH10886. We thank Aaron
Littlejohn for comments and editing.
NR 34
TC 4
Z9 4
U1 2
U2 15
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 2014
VL 16
IS 37
BP 8794
EP 8804
DI 10.1039/c4ce01228c
PG 11
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA AO5CK
UT WOS:000341359200025
ER
PT B
AU Hong, LX
AF Hong, Lixuan
BE Clark, WW
TI China: Resource Assessment of Offshore Wind Potential
SO GLOBAL SUSTAINABLE COMMUNITIES HANDBOOK: GREEN DESIGN TECHNOLOGIES AND
ECONOMICS
LA English
DT Article; Book Chapter
C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, China Energy Grp, Berkeley, CA 94720 USA.
RP Hong, LX (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, China Energy Grp, Berkeley, CA 94720 USA.
EM lixuanhong@lbl.gov
NR 18
TC 0
Z9 0
U1 0
U2 0
PU BUTTERWORTH-HEINEMANN
PI OXFORD
PA LINACRE HOUSE, JORDAN HILL, OXFORD OX2 8DP, OXON, ENGLAND
BN 978-0-12-397929-2; 978-0-12-397914-8
PY 2014
BP 53
EP 77
DI 10.1016/B978-0-12-397914-8.00004-7
PG 25
WC Construction & Building Technology; Engineering, Environmental
SC Construction & Building Technology; Engineering
GA BB1MQ
UT WOS:000341205000006
ER
PT J
AU Lv, DP
Tang, DH
Duan, YH
Gordin, ML
Dai, F
Zhu, PY
Song, JX
Manivannan, A
Wang, DH
AF Lv, Dongping
Tang, Duihai
Duan, Yuhua
Gordin, Mikhail L.
Dai, Fang
Zhu, Pengyu
Song, Jiangxuan
Manivannan, Ayyakkannu
Wang, Donghai
TI A study of a fluorine substituted phenyl based complex as a 3 V
electrolyte for Mg batteries
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID RECHARGEABLE MAGNESIUM BATTERIES; CATHODE MATERIALS; ELECTROCHEMISTRY;
CHALLENGE
AB An electrolyte with a wide electrochemically stable window and high efficiency for reversible Mg deposition/dissolution is a key component of Mg battery systems. In the present study, functional-group-substituted phenyl-based Mg battery electrolytes have been prepared by direct reactions between the Lewis acid AlCl3 and various fluorine substituted Lewis bases. The substitution effects of these functional groups on the anodic stability of the electrolyte and the efficiency for Mg deposition/dissolution have been studied by electrochemical analysis and first-principles density functional theory calculations. This study indicates that the para-substituted fluorine complex (4-F-PhMgBr)(2)-AlCl3/THF is an excellent 3 V electrolyte for Mg batteries with respect to the electrochemical stability and efficiency of reversible Mg deposition/dissolution. Both the experimental results and theoretical calculations are consistent and indicate that electron-withdrawing groups with small steric effects on phenyl rings improve the electrolyte stability and reversibility by decreasing the HOMO and increasing the LUMO energy levels of the complex component, while electron-donating groups have profound detrimental influences. This investigation provides further understanding of the electrolyte chemistry of Mg batteries and advances the design and optimization of new electrolytes.
C1 [Lv, Dongping; Tang, Duihai; Gordin, Mikhail L.; Dai, Fang; Zhu, Pengyu; Song, Jiangxuan; Wang, Donghai] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA.
[Duan, Yuhua; Manivannan, Ayyakkannu] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
RP Wang, DH (reprint author), Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA.
EM dwang@psu.edu
RI Duan, Yuhua/D-6072-2011; Song, Jiangxuan/G-8536-2015; Wang,
Donghai/L-1150-2013; Dai, Fang/O-2626-2013
OI Duan, Yuhua/0000-0001-7447-0142; Wang, Donghai/0000-0001-7261-8510; Dai,
Fang/0000-0002-9229-5576
FU National Energy Technology Laboratory's Regional University Alliance
(NETL-RUA) under RES [4000.2.683.220.001]; U.S. Department of Energy's
(DOE's) Office of Electricity Delivery and Energy Reliability (OE)
[57558]
FX The authors would like to acknowledge the financial support from the
National Energy Technology Laboratory's Regional University Alliance
(NETL-RUA) (under the RES contract 4000.2.683.220.001) and the U.S.
Department of Energy's (DOE's) Office of Electricity Delivery and Energy
Reliability (OE) (under contract no. 57558).
NR 22
TC 4
Z9 4
U1 7
U2 41
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 2014
VL 2
IS 37
BP 15488
EP 15494
DI 10.1039/c4ta02686a
PG 7
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA AO6JN
UT WOS:000341457000032
ER
PT J
AU Stappert, K
Unal, D
Mallick, B
Mudring, AV
AF Stappert, Kathrin
Uenal, Derya
Mallick, Bert
Mudring, Anja-Verena
TI New triazolium based ionic liquid crystals
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID BAYLIS-HILLMAN REACTION; SENSITIZED SOLAR-CELLS; IMIDAZOLIUM SALTS; DYE;
PHASE; ELECTROLYTE; BEHAVIOR; SHAPE
AB A set of novel 1,2,3-triazolium based ionic liquid crystals was synthesized and their mesomorphic behaviour studied by DSC (differential scanning calorimetry), POM (polarizing optical microscopy) and SAXS (small angle X-ray scattering). Beside the variation of the chain length (C-10, C-12 and C-14) at the 1,2,3-triazolium cation also the anion has been varied (Br-, I-, I-3(-), BF4-, SbF6-, N(CN)(2)(-), Tf2N-) to study the influence of ion size, symmetry and H-bonding capability on the mesophase formation. Interestingly, for the 1,3-didodecyl-1,2,3-triazolium cation two totally different conformations were found in the crystal structure of the bromide (U-shaped) and the triiodide (rod shaped).
C1 [Stappert, Kathrin; Uenal, Derya; Mallick, Bert; Mudring, Anja-Verena] Ruhr Univ Bochum, Fak Chem & Biochem, D-44780 Bochum, Germany.
[Mudring, Anja-Verena] Iowa State Univ, Ames, IA USA.
[Mudring, Anja-Verena] Ames Lab, Ames, IA USA.
RP Mudring, AV (reprint author), Ruhr Univ Bochum, Fak Chem & Biochem, D-44780 Bochum, Germany.
EM mudring@iastate.edu
FU German Science Foundation DFG [1191]; DFG 110 Cluster of Excellence
RESOLV; DESY (Deutsches Elektronensynchrotron) [I-20100011]
FX This work was supported by the German Science Foundation DFG through the
priority program 1191"Ionic Liquids", the DFG 110 Cluster of Excellence
RESOLV and the DESY (Deutsches Elektronensynchrotron proposal no.
I-20100011). We thank Dr Sergio Funari and Dr Jan Perlich for support
during the SAXS measurements.
NR 41
TC 11
Z9 11
U1 2
U2 29
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 2014
VL 2
IS 37
BP 7976
EP 7986
DI 10.1039/c3tc31366b
PG 11
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA AO6JW
UT WOS:000341458000030
ER
PT S
AU Ghirardi, ML
King, PW
Mulder, DW
Eckert, C
Dubini, A
Maness, PC
Yu, JP
AF Ghirardi, Maria L.
King, Paul W.
Mulder, David W.
Eckert, Carrie
Dubini, Alexandra
Maness, Pin-Ching
Yu, Jianping
BE Zannoni, D
DePhilippis, R
TI Hydrogen Production by Water Biophotolysis
SO MICROBIAL BIOENERGY: HYDROGEN PRODUCTION
SE Advances in Photosynthesis and Respiration
LA English
DT Article; Book Chapter
ID ALGA CHLAMYDOMONAS-REINHARDTII; SP PCC 6803; CYCLIC ELECTRON FLOW;
FE-ONLY HYDROGENASE; SP STRAIN PCC-6803; SYNECHOCYSTIS SP PCC-6803;
NONPHOTOSYNTHETIC FERREDOXIN ISOPROTEINS; PHOTOELECTROCHEMICAL BIOFUEL
CELL; HARVESTING CHLOROPHYLL ANTENNA; PHOTOBIOLOGICAL H-2 PRODUCTION
AB The use of microalgae for production of hydrogen gas from water photolysis has been studied for many years, but its commercialization is still limited by multiple challenges. Most of the barriers to commercialization are attributed to the existence of biological regulatory mechanisms that, under anaerobic conditions, quench the absorbed light energy, down-regulate linear electron transfer, inactivate the H-2-producing enzyme, and compete for electrons with the hydrogenase. Consequently, the conversion efficiency of absorbed photons into H-2 is significantly lower than its estimated potential of 12-13 %. However, extensive research continues towards addressing these barriers by either trying to understand and circumvent intracellular regulatory mechanisms at the enzyme and metabolic level or by developing biological systems that achieve prolonged H-2 production albeit under lower than 12-13 % solar conversion efficiency. This chapter describes the metabolic pathways involved in biological H-2 photoproduction from water photolysis, the attributes of the two hydrogenases, [FeFe] and [NiFe], that catalyze biological H-2 production, and highlights research related to addressing the barriers described above. These highlights include: (a) recent advances in improving our understanding of the O-2 inactivation mechanism in different classes of hydrogenases; (b) progress made in preventing competitive pathways from diverting electrons from H-2 photoproduction; and (c) new developments in bypassing the non-dissipated proton gradient from down-regulating photosynthetic electron transfer. As an example of a major success story, we mention the generation of truncated-antenna mutants in Chlamydomonas and Synechocystis that address the inherent low-light saturation of photosynthesis. In addition, we highlight the rationale and progress towards coupling biological hydrogenases to non-biological, photochemical charge-separation as a means to bypass the barriers of photobiological systems.
C1 [Ghirardi, Maria L.; King, Paul W.; Mulder, David W.; Eckert, Carrie; Dubini, Alexandra; Maness, Pin-Ching; Yu, Jianping] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Ghirardi, ML (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM maria.ghirardi@nrel.gov; Paul.King@nrel.gov; david.mulder@nrel.gov;
carrie.eckert@nrel.gov; alexandra.dubini@nrel.gov;
pinching.maness@nrel.gov; jianping.yu@nrel.gov
NR 322
TC 1
Z9 1
U1 2
U2 14
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 1572-0233
BN 978-94-017-8554-9; 978-94-017-8553-2
J9 ADV PHOTOSYNTH RESP
JI Adv. Photo. Respirat.
PY 2014
VL 38
BP 101
EP 135
DI 10.1007/978-94-017-8554-9_5
D2 10.1007/978-94-017-8554-9
PG 35
WC Biotechnology & Applied Microbiology; Energy & Fuels
SC Biotechnology & Applied Microbiology; Energy & Fuels
GA BB1LV
UT WOS:000341190600009
ER
PT J
AU Matito-Martos, I
Martin-Calvo, A
Gutierrez-Sevillano, JJ
Haranczyk, M
Doblare, M
Parra, JB
Ania, CO
Calero, S
AF Matito-Martos, I.
Martin-Calvo, A.
Gutierrez-Sevillano, J. J.
Haranczyk, M.
Doblare, M.
Parra, J. B.
Ania, C. O.
Calero, S.
TI Zeolite screening for the separation of gas mixtures containing SO2, CO2
and CO
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; POWDER DIFFRACTION DATA; X-RAY-DIFFRACTION;
SI-29 MAS-NMR; CRYSTAL-STRUCTURE; CARBON-DIOXIDE; SULFUR-DIOXIDE;
FLUE-GAS; ADSORPTION-ISOTHERMS; NEUTRON-DIFFRACTION
AB We used a combination of experiments and molecular simulations to investigate at the molecular level the effects of zeolite structure on the adsorption and diffusion of sulfur dioxide, carbon dioxide and carbon monoxide as well as separation processes of their mixtures. Our study involved different zeolite topologies and revealed numerous structure-property trends depending on the temperature and pressure conditions. Sulfur dioxide, which has the strongest interactions with zeolites due to its size and polarity, showed the largest adsorption across investigated temperatures and pressures. Our results indicate that structures with channel-type pore topology and low pore volume are the most promising for selective adsorption of sulfur dioxide over carbon dioxide and carbon monoxide under room conditions, while structures with higher pore volume exhibit better storage capacity at higher pressure. Our results emphasize the need for considering both adsorption and diffusion processes in the selection of the optimal structure for a given separation process. Our findings help to identify the best materials for effective separation processes under realistic operating conditions.
C1 [Matito-Martos, I.; Martin-Calvo, A.; Calero, S.] Univ Pablo Olavide, Dept Phys Chem & Nat Syst, Seville 41013, Spain.
[Gutierrez-Sevillano, J. J.] Delft Univ Technol, Dept Proc & Energy, NL-2628 CA Delft, Netherlands.
[Haranczyk, M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Doblare, M.] Abengoa Res, Seville 41014, Spain.
[Parra, J. B.; Ania, C. O.] CSIC, Inst Nacl Carbon, INCAR, E-33080 Oviedo, Spain.
RP Calero, S (reprint author), Univ Pablo Olavide, Dept Phys Chem & Nat Syst, Ctra Utrera Km 1, Seville 41013, Spain.
EM scalero@upo.es
RI Martin Calvo, Ana/A-6695-2013; Parra, Jose B/A-5641-2008; Ania,
Conchi/D-4381-2013; Haranczyk, Maciej/A-6380-2014; Calero,
Sofia/G-3144-2010; Gutierrez-Sevillano, Juan Jose/B-4367-2017; Doblare
Castellano, Manuel/M-9028-2015
OI Martin Calvo, Ana/0000-0002-0284-6777; Parra, Jose
B/0000-0002-8802-5856; Haranczyk, Maciej/0000-0001-7146-9568; Calero,
Sofia/0000-0001-9535-057X; Gutierrez-Sevillano, Juan
Jose/0000-0001-8224-839X; Doblare Castellano, Manuel/0000-0001-8741-6452
FU Spanish "Ministerio de Ciencia e Innovacion" [CTQ2010-16077/BQU];
European Research Council [ERC-StG'11]; Spanish "Ministerio de
Educacion"; Nanoporous Materials Genome Center for the U.S. Department
of Energy, Office of Basic Energy Sciences, Division of Chemical
Sciences, Geosciences and Biosciences [DE-FG02-12ER1636]
FX This work was supported by the Spanish "Ministerio de Ciencia e
Innovacion" (CTQ2010-16077/BQU), and the European Research Council
through an ERC Starting Grant (ERC-StG'11 RASPA-project). A.
Martin-Calvo thanks the Spanish "Ministerio de Educacion" for her
predoctoral fellowship. M. Haranczyk was supported by the Nanoporous
Materials Genome Center for the U.S. Department of Energy, Office of
Basic Energy Sciences, Division of Chemical Sciences, Geosciences and
Biosciences under Award DE-FG02-12ER1636.
NR 73
TC 9
Z9 9
U1 12
U2 67
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 37
BP 19884
EP 19893
DI 10.1039/c4cp00109e
PG 10
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AO5CO
UT WOS:000341359700014
PM 24691937
ER
PT J
AU Sista, P
Ghosh, K
Martinez, JS
Rocha, RC
AF Sista, Prakash
Ghosh, Koushik
Martinez, Jennifer S.
Rocha, Reginaldo C.
TI Metallo-Biopolymers: Conjugation Strategies and Applications
SO POLYMER REVIEWS
LA English
DT Review
DE bioconjugates; bio-organometallics; coupling chemistry; hybrid polymers
ID SOLID-PHASE SYNTHESIS; PHOTOINDUCED ELECTRON-TRANSFER; HISTIDINE-TAGGED
PROTEINS; MRI CONTRAST AGENTS; PEPTIDE-BASED RADIOPHARMACEUTICALS;
ALPHA-AMINO-ACIDS; CATIONIC IRIDIUM(III) COMPLEXES; SELECTIVE
PHOTODYNAMIC THERAPY; ORGANOMETALLIC PNA OLIGOMERS; CELL-PENETRATING
PEPTIDE
AB Metallo-biopolymers are an exciting class of materials that integrate the optical, electronic, magnetic, and chemical properties of metal complexes with the specificity and highly ordered structures of biopolymers. Metal complexes can be incorporated into the biopolymers using a multitude of synthetic methodologies. Developments in the fields of synthetic organic/organometallic chemistry and biological chemistry have enabled new conjugation methods that can expand the diversity and scope of such integrated metallo-biopolymer assemblies. The conjugation of metal complexes and biopolymers leads to new classes of hybrid materials for applications spanning biomaterials, drug delivery, imaging, sensing, photodynamic therapy, catalysis, optoelectronics, and energy conversion. This review article summarizes the synthetic strategies that have been adopted for the conjugation between biopolymers and metal complexes, as well as some of the various applications of these metallo-biopolymers.
C1 [Sista, Prakash; Ghosh, Koushik; Martinez, Jennifer S.; Rocha, Reginaldo C.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, MPA CINT, Los Alamos, NM 87545 USA.
RP Rocha, RC (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, MPA CINT, Mail Stop G755, Los Alamos, NM 87545 USA.
EM rcrocha@lanl.gov
NR 454
TC 3
Z9 3
U1 4
U2 52
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 1558-3724
EI 1558-3716
J9 POLYM REV
JI Polym. Rev.
PY 2014
VL 54
IS 4
BP 627
EP 676
DI 10.1080/15583724.2014.913063
PG 50
WC Polymer Science
SC Polymer Science
GA AO9CX
UT WOS:000341654300003
ER
PT S
AU Daniel, C
Mohanty, D
Li, JL
Wood, DL
AF Daniel, Claus
Mohanty, Debasish
Li, Jianlin
Wood, David L.
BE Meyer, DC
Leisegang, T
TI Cathode Materials Review
SO REVIEW ON ELECTROCHEMICAL STORAGE MATERIALS AND TECHNOLOGY
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 1st International Freiberg Conference on Electrochemical Storage
Materials
CY JUN 03-04, 2013
CL TU Bergakademie Freiberg, Freiberg, GERMANY
SP Fed Minist Educ & Res, State Minist Sci & Arts, Fraunhofer Technol Ctr Semicond Mat Freiberg, Kurt Schwabe Inst Measuring & Sensor Technol Meinsberg, Tech Univ Bergakademie Freiberg
HO TU Bergakademie Freiberg
DE Li-Ion; Lead-Acid; NiCd; Copper-Zinc; Volta Pile; Cathode; Conversion
Electrode; Intercalation
ID LITHIUM-ION BATTERIES; POSITIVE ELECTRODE MATERIAL; ELECTRICAL
ENERGY-STORAGE; X-RAY-DIFFRACTION; HIGH-VOLTAGE HOLD; ELECTROCHEMICAL
PERFORMANCE; POWDER DIFFRACTION; CRYSTAL-STRUCTURE; HIGH-POWER;
STRUCTURAL TRANSFORMATION
AB The electrochemical potential of cathode materials defines the positive side of the terminal voltage of a battery. Traditionally, cathode materials are the energy-limiting or voltage-limiting electrode. One of the first electrochemical batteries, the voltaic pile invented by Alessandro Volta in 1800 (Phil. Trans. Roy. Soc. 90, 403-431) had a copper-zinc galvanic element with a terminal voltage of 0.76 V. Since then, the research community has increased capacity and voltage for primary (nonrechargeable) batteries and round-trip efficiency for secondary (rechargeable) batteries. Successful secondary batteries have been the lead-acid with a lead oxide cathode and a terminal voltage of 2.1 V and later the NiCd with a nickel(III) oxide-hydroxide cathode and a 1.2 V terminal voltage. The relatively low voltage of those aqueous systems and the low round-trip efficiency due to activation energies in the conversion reactions limited their use. In 1976, Wittingham (J. Electrochem. Soc., 123, 315) and Besenhard (J. Power Sources 1(3), 267) finally enabled highly reversible redox reactions by intercalation of lithium ions instead of by chemical conversion. In 1980, Goodenough and Mizushima (Mater. Res. Bull. 15, 783-789) demonstrated a high-energy and high-power LiCoO2 cathode, allowing for an increase of terminal voltage far beyond 3 V. Over the past four decades, the international research community has further developed cathode materials of many varieties. Current state-of-the-art cathodes demonstrate voltages beyond any known electrolyte stability window, bringing electrolyte research once again to the forefront of battery research.
C1 [Daniel, Claus; Mohanty, Debasish; Li, Jianlin; Wood, David L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Daniel, C (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd,MS6472, Oak Ridge, TN 37831 USA.
EM danielc@ornl.gov
RI Daniel, Claus/A-2060-2008; Mohanty, Debasish/B-6207-2012; Li,
Jianlin/D-3476-2011;
OI Daniel, Claus/0000-0002-0571-6054; Mohanty,
Debasish/0000-0003-1141-0657; Li, Jianlin/0000-0002-8710-9847; Wood,
David/0000-0002-2471-4214
NR 94
TC 2
Z9 2
U1 7
U2 73
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1231-6
J9 AIP CONF PROC
PY 2014
VL 1597
BP 26
EP 43
DI 10.1063/1.4878478
PG 18
WC Electrochemistry; Physics, Applied
SC Electrochemistry; Physics
GA BB1TH
UT WOS:000341355700003
ER
PT B
AU Griffith, J
AF Griffith, James
BE Soeters, J
Shields, PM
Rietjens, S
TI SURVEY RESEARCH IN MILITARY SETTINGS
SO ROUTLEDGE HANDBOOK OF RESEARCH METHODS IN MILITARY STUDIES
LA English
DT Article; Book Chapter
ID MORALE
C1 [Griffith, James] US DOE, Natl Ctr Educ Stat, Washington, DC 20585 USA.
[Griffith, James] Univ Utah, Natl Ctr Vet Studies, Salt Lake City, UT 84112 USA.
RP Griffith, J (reprint author), 229 North Forest Dune Dr, St Augustine, FL 32080 USA.
EM jhgriffith@comcast.net
RI Dopko, Rae/J-7437-2015
NR 30
TC 0
Z9 0
U1 0
U2 1
PU ROUTLEDGE
PI LONDON
PA 11 NEW FETTER LANE, LONDON EC4P 4EE, ENGLAND
BN 978-0-203-09380-1; 978-0-415-63533-2
PY 2014
BP 179
EP 193
PG 15
WC Social Sciences, Interdisciplinary
SC Social Sciences - Other Topics
GA BB1WN
UT WOS:000341427100017
ER
PT J
AU Han, JK
Wang, L
Wong, SS
AF Han, Jinkyu
Wang, Lei
Wong, Stanislaus S.
TI Morphology and dopant-dependent optical characteristics of novel
composite 1D and 3D-based heterostructures of CdSe nanocrystals and
LaPO4:Re (Re = Eu, Ce, Tb) metal phosphate nanowires
SO RSC ADVANCES
LA English
DT Article
ID LANTHANIDE ORTHOPHOSPHATE NANOWIRES; RESONANCE ENERGY-TRANSFER; DOT
SOLAR-CELLS; QUANTUM DOTS; PHOTOLUMINESCENCE PROPERTIES; HYDROTHERMAL
SYNTHESIS; PHOTOCATALYTIC ACTIVITY; LUMINESCENT PROPERTIES; PHOTOVOLTAIC
DEVICES; SYSTEMATIC SYNTHESIS
AB In this report, we synthesize and structurally characterize novel semiconducting nanoscale composite heterostructures composed of zero-dimensional (0D) CdSe nanocrystals coupled with both one-and three-dimensional (1D and 3D) rare earth metal-doped LaPO4 metal phosphate materials. Subsequent optical characterization has demonstrated a clear dependence of the intrinsic charge and energy transfer processes in these systems on both (i) morphology and (ii) the presence of dopants. Specifically, similar to 4.5 nm CdSe quantum dots (QDs) have been successfully anchored onto (a) high-aspect ratio rare-earth activated LaPO4 nanowires, measuring similar to 7 nm in diameter and similar to 1.3 mu m in length, prepared by a modified hydrothermal protocol, and (b) well-dispersed urchin-like 3D architectures of LaPO4:Re (Re = Ce, Tb, Eu) (diameter similar to 500 nm), fabricated using a large-scale, solution-precipitation approach in the presence of 6-mercaptohexanoic acid, used as a self-assembly facilitating agent. We have proposed a growth mechanism of our 3D sub-micron LaPO4-based architectures, based on a detailed time-dependent scanning electron microscopy visualization study. In terms of properties, our results show that our 1D and 3D heterostructures evince both PL quenching and a shorter average lifetime of CdSe QDs as compared with unbound CdSe QDs. We suggest that a photo-induced charge transfer process occurs from CdSe QDs to LaPO4: Eu through the mediation of water molecules in the intrinsic LaPO4 structure. Conversely, analogous CdSe QD-3D LaPO4: Eu heterostructures exhibit noticeably less PL quenching and longer lifetimes as compared with 1D composites since it appears that not only charge transfer from CdSe QDs to LaPO4:Eu but also energy transfer from LaPO4:Eu to CdSe QDs are substantially more efficient processes with 3D as compared with 1D heterostructures, possibly due to the nearly 3 times higher coverage density of QDs on the surfaces of the underlying 3D LaPO4 motif, thereby contributing to its more effective absorption capability of LaPO4: Eu emission. Moreover, the magnitude of the PL signal and the corresponding lifetimes in the CdSe QD (0D)-LaPO4 (3D) heterostructures are dependent upon the rare-earth dopant tested itself. Data are additionally explained in the context of the inherent energy level alignments of both CdSe QDs and LaPO4:Re (Re Ce, Tb, and Eu) systems.
C1 [Han, Jinkyu; Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
[Wang, Lei; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
RP Wong, SS (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Bldg 480, Upton, NY 11973 USA.
EM sswong@bnl.gov
FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and
Engineering Division; U.S. Department of Energy [DE-AC02-98CH10886]
FX Research (including support for JKH, LW, and SSW) was supported by the
U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and
Engineering Division. Experiments were performed in part at the Center
for Functional Nanomaterials located at Brookhaven National Laboratory,
which is supported by the U.S. Department of Energy under Contract no.
DE-AC02-98CH10886.
NR 80
TC 6
Z9 6
U1 4
U2 42
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2014
VL 4
IS 66
BP 34963
EP 34980
DI 10.1039/c4ra05933f
PG 18
WC Chemistry, Multidisciplinary
SC Chemistry
GA AO4DZ
UT WOS:000341287700030
ER
PT J
AU Ansari, SA
Liu, LS
Dau, PD
Gibson, JK
Rao, LF
AF Ansari, Seraj A.
Liu, Lisheng
Phuong Diem Dau
Gibson, John K.
Rao, Linfeng
TI Unusual complexation of nitrate with lanthanides in a wet ionic liquid:
a new approach for aqueous separation of trivalent f-elements using an
ionic liquid as solvent
SO RSC ADVANCES
LA English
DT Article
ID ACTINIDE IONS; VARIABLE TEMPERATURES; EQUILIBRIUM-CONSTANTS; SYSTEMS;
EXAFS
AB The energetics of lanthanide nitrate complexation in a wet ionic liquid (IL; saturated with water as seen in the aqueous separation process) differs entirely from that in dry IL. A new approach to design more effective strategies for separation of actinides and lanthanides using an IL as a solvent has been revealed.
C1 [Ansari, Seraj A.; Liu, Lisheng; Phuong Diem Dau; Gibson, John K.; Rao, Linfeng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Rao, LF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
EM LRao@lbl.gov
FU Office of Science, Office of Basic Energy Science of the U.S. Department
of Energy (DOE) [DE-AC02-05CH11231]; Indo-US Science & Technology Forum
(IUSSTF)
FX This work was supported by the Director, Office of Science, Office of
Basic Energy Science of the U.S. Department of Energy (DOE), under
Contract no. DE-AC02-05CH11231 at LBNL. SAA acknowledges the Indo-US
Science & Technology Forum (IUSSTF) for awarding the fellowship. SAA is
grateful to Dr Francesco Endrizzi and Dr Christina Leggett for technical
help.
NR 24
TC 5
Z9 5
U1 3
U2 24
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 2014
VL 4
IS 72
BP 37988
EP 37991
DI 10.1039/c4ra08252d
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA AO6IZ
UT WOS:000341455200005
ER
PT J
AU Naskar, AK
Bi, ZH
Li, YC
Akato, SK
Saha, D
Chi, MF
Bridges, CA
Paranthaman, MP
AF Naskar, Amit K.
Bi, Zhonghe
Li, Yunchao
Akato, Sam K.
Saha, Dipendu
Chi, Miaofang
Bridges, Craig A.
Paranthaman, M. Parans
TI Tailored recovery of carbons from waste tires for enhanced performance
as anodes in lithium-ion batteries
SO RSC ADVANCES
LA English
DT Article
ID GROUND RUBBER TIRE; HARD-CARBON; PYROLYSIS; BLACK; CHEMISTRY; INSERTION;
CHLORINATION; POLYETHYLENE; ELECTRODES
AB Morphologically tailored pyrolysis-recovered carbon black is utilized in lithium-ion battery anodes with improved capacity as a potential solution for adding value to waste tire-rubber-derived materials. Micronized tire rubber was digested in a hot oleum bath to yield a sulfonated rubber slurry that was then filtered, washed, and compressed into a solid cake. Carbon was recovered from the modified rubber cake by pyrolysis in a nitrogen atmosphere. The chemical pretreatment of rubber produced a carbon monolith with higher yield than that from the control (a fluffy tire-rubber-derived carbon black). The carbon monolith showed a very small volume fraction of pores of widths 3-5 nm, prominent nanoporosity (pore width < 2 nm), reduced specific surface area, and an ordered assembly of graphitic domains. Electrochemical studies revealed that the recovered-carbon-based anode had a higher reversible capacity than that of graphite. Anodes made with a sulfonated tire-rubber-derived carbon and a control tire-rubber-derived carbon exhibited an initial coulombic efficiency of 71% and 45%, respectively. The reversible capacity of the cell with the sulfonated tire rubber-derived carbon as the anode was 390 mA h g(-1) after 100 cycles, with nearly 100% coulombic efficiency. Our success in producing a higher performance carbon material from waste tire rubber for potential use in energy storage applications adds a new avenue to tire rubber recycling.
C1 [Naskar, Amit K.; Akato, Sam K.; Saha, Dipendu] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Naskar, Amit K.; Li, Yunchao; Paranthaman, M. Parans] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, Knoxville, TN 37996 USA.
[Bi, Zhonghe; Li, Yunchao; Bridges, Craig A.; Paranthaman, M. Parans] Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA.
[Saha, Dipendu] Widener Univ, Chem Engn Dept, Chester, PA 19013 USA.
[Chi, Miaofang] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Naskar, AK (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
EM naskarak@ornl.gov; paranthamanm@ornl.gov
RI Paranthaman, Mariappan/N-3866-2015; Chi, Miaofang/Q-2489-2015;
OI Paranthaman, Mariappan/0000-0003-3009-8531; Chi,
Miaofang/0000-0003-0764-1567; Li, Yunchao/0000-0001-5460-5855
FU U.S. Department of Energy; Materials Sciences and Engineering Division,
Office of Basic Energy Sciences, U. S. Department of Energy; Scientific
User Facilities Division, Office of Basic Energy Sciences, U.S.
Department of Energy; School of Engineering, Widener University
FX Research was sponsored by both the Laboratory Directed R&D Program and
the Technology Innovation Program of Oak Ridge National Laboratory,
managed by UT-Battelle, LLC, for the U.S. Department of Energy. The
research (ZB, YL, MC, CAB, MPP) on battery fabrication and
electrochemical testing was sponsored by the Materials Sciences and
Engineering Division, Office of Basic Energy Sciences, U. S. Department
of Energy. Transmission electron microscopy research was supported
through a user project supported by ORNL's Center for Nanophase
Materials Sciences (CNMS), which is sponsored by the Scientific User
Facilities Division, Office of Basic Energy Sciences, U.S. Department of
Energy. Thanks are due to Dr Jagjit Nanda for help in acquiring Raman
spectroscopy data. Authors acknowledge the generous donation of ground
tire rubber from Lehigh Technologies, Inc., Georgia, USA. D. S.
acknowledges the Faculty Development Award (2014-2015) from School of
Engineering, Widener University.
NR 40
TC 8
Z9 8
U1 4
U2 38
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 2014
VL 4
IS 72
BP 38213
EP 38221
DI 10.1039/c4ra03888f
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA AO6IZ
UT WOS:000341455200036
ER
PT J
AU Olson, D
Bochev, PB
Luskin, M
Shapeev, AV
AF Olson, Derek
Bochev, Pavel B.
Luskin, Mitchell
Shapeev, Alexander V.
TI AN OPTIMIZATION-BASED ATOMISTIC-TO-CONTINUUM COUPLING METHOD
SO SIAM JOURNAL ON NUMERICAL ANALYSIS
LA English
DT Article
DE atomistic-to-continuum; coupling; nonlocal model; constrained
optimization; virtual controls; error analysis
ID DOMAIN DECOMPOSITION METHOD; PARTIAL-DIFFERENTIAL-EQUATIONS; VIRTUAL
CONTROL; ARLEQUIN METHOD; APPROXIMATIONS; ALGORITHMS; DESIGN; MODEL
AB We present a new optimization-based method for atomistic-to-continuum (AtC) coupling. The main idea is to cast the latter as a constrained optimization problem with virtual Dirichlet controls on the interfaces between the atomistic and continuum subdomains. The optimization objective is to minimize the error between the atomistic and continuum solutions on the overlap between the two subdomains, while the atomistic and continuum force balance equations provide the constraints. Separation, rather then blending of the atomistic and continuum problems, and their subsequent use as constraints in the optimization problem distinguishes our approach from the existing AtC formulations. We present and analyze the method in the context of a one-dimensional chain of atoms modeled using a linearized two-body potential with next-nearest neighbor interactions.
C1 [Olson, Derek; Luskin, Mitchell; Shapeev, Alexander V.] Univ Minnesota, Sch Math, Minneapolis, MN 55455 USA.
[Bochev, Pavel B.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Olson, D (reprint author), Univ Minnesota, Sch Math, Minneapolis, MN 55455 USA.
EM olso4056@umn.edu; pb-boche@sandia.gov; luskin@umn.edu; ashapeev@umn.edu
FU Collaboratory on Mathematics for Mesoscopic Modeling of Materials (CM4);
Lockheed Martin Corporation [DE-AC04-94AL85000]; Sandia's Computer
Science Research Institute Summer Internship Program; Department of
Defense (DoD) through the National Defense Science & Engineering
Graduate Fellowship (NDSEG) Program; NSF PIRE Grant [OISE-0967140]; DOE
[DE-SC0002085]; AFOSR [FA9550-12-1-0187]; DOE Award [DE-SC0002085];
Applied Mathematics Program within the Department of Energy (DOE) Office
of Advanced Scientific Computing Research (ASCR); Sandia National
Laboratories is a multi-program laboratory
FX Part of this research was carried under the auspices of the
Collaboratory on Mathematics for Mesoscopic Modeling of Materials (CM4).
Sandia National Laboratories is a multi-program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U. S. Department of Energy's National
Nuclear Security Administration under contract DE-AC04-94AL85000.; The
first author was partially supported by Sandia's Computer Science
Research Institute Summer Internship Program and by the Department of
Defense (DoD) through the National Defense Science & Engineering
Graduate Fellowship (NDSEG) Program. The third author was supported in
part by the NSF PIRE Grant OISE-0967140, DOE Award DE-SC0002085, and
AFOSR Award FA9550-12-1-0187. The fourth author was supported in part by
the DOE Award DE-SC0002085.; The work of this author was supported by
the Applied Mathematics Program within the Department of Energy (DOE)
Office of Advanced Scientific Computing Research (ASCR).
NR 37
TC 6
Z9 6
U1 0
U2 1
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 0036-1429
EI 1095-7170
J9 SIAM J NUMER ANAL
JI SIAM J. Numer. Anal.
PY 2014
VL 52
IS 4
BP 2183
EP 2204
DI 10.1137/13091734X
PG 22
WC Mathematics, Applied
SC Mathematics
GA AO7ZI
UT WOS:000341571300031
ER
PT J
AU Sarkar, M
Kumar, A
Tumuluru, JS
Patil, KN
Bellmer, D
AF Sarkar, M.
Kumar, A.
Tumuluru, J. Shankar
Patil, K. N.
Bellmer, D.
TI THERMAL DEVOLATILIZATION KINETICS OF SWITCHGRASS PRETREATED WITH
TORREFACTION AND DENSIFICATION
SO TRANSACTIONS OF THE ASABE
LA English
DT Article
DE Densification; Pretreatment; Reaction kinetics; Switchgrass;
Thermogravimetric analyzer; Torrefaction
ID THERMOGRAVIMETRIC ANALYSIS; CURRENT TECHNOLOGY; CORN STOVER;
GASIFICATION; NITROGEN; COAL; AIR
AB Pretreatment of switchgrass by torrefaction or densification can improve its physical and chemical characteristics by making it hydrophobic, increasing the bulk density and energy content, and improving ability to store and transport. The goal of this study was to investigate the effects of four pretreatments (torrefaction at 230 degrees C, torrefaction at 270 degrees C, densification, and combined torrefaction and densification) and heating rates on the thermal devolatilization characteristics of switchgrass in both inert and oxidizing atmospheres. The thermal devolatilization characteristics of biomass were determined using a thermogravimetric analyzer. Torrefaction of switchgrass increased its carbon content and higher heating value but decreased hydrogen and oxygen contents. These effects increased with increase in torrefaction temperature from 230 degrees C to 270 degrees C. However, the rate of devolatilization of switchgrass torrefied at 230 degrees C was higher than that of switchgrass torrefied at 270 degrees C in both inert and oxidizing atmospheres. The weight loss of switchgrass occurred in three stages in both inert and oxidizing atmospheres. In both atmospheres at a heating rate of 50 degrees C min(-1), switchgrass pretreated with combined torrefaction and densification showed the highest rate of weight loss peak (34 and 44 mg min(-1) in inert and oxidizing atmospheres, respectively) and the lowest start and end temperatures of the rate of weight loss peak. Overall, in both inert and oxidizing atmospheres, switchgrass pretreated with combined torrefaction and densification had the highest rate of devolatilization, followed by switchgrass pretreated with densification, switchgrass pretreated with torrefaction at 230 degrees C, switchgrass pretreated with torrefaction at 270 degrees C, and raw switchgrass. Heating rate also had significant effects on the weight loss and rate of weight loss of switchgrass but did not have significant effects on the start and end temperatures of the rate of weight loss peaks.
C1 [Sarkar, M.; Kumar, A.; Patil, K. N.; Bellmer, D.] Oklahoma State Univ, Dept Biosyst & Agr Engn, Stillwater, OK 74078 USA.
[Tumuluru, J. Shankar] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Kumar, A (reprint author), Oklahoma State Univ, 228 Agr Hall, Stillwater, OK 74078 USA.
EM ajay.kumar@okstate.edu
NR 36
TC 3
Z9 3
U1 5
U2 9
PU AMER SOC AGRICULTURAL & BIOLOGICAL ENGINEERS
PI ST JOSEPH
PA 2950 NILES RD, ST JOSEPH, MI 49085-9659 USA
SN 2151-0032
EI 2151-0040
J9 T ASABE
JI Trans. ASABE
PY 2014
VL 57
IS 4
BP 1199
EP 1210
PG 12
WC Agricultural Engineering
SC Agriculture
GA AO4IT
UT WOS:000341301400020
ER
PT J
AU Rawat, SR
Mannisto, MK
Starovoytov, V
Goodwin, L
Nolan, M
Hauser, L
Land, M
Davenport, KW
Woyke, T
Haggblom, MM
AF Rawat, Suman R.
Mannisto, Minna K.
Starovoytov, Valentin
Goodwin, Lynne
Nolan, Matt
Hauser, Loren
Land, Miriam
Davenport, Karen Walston
Woyke, Tanja
Haeggblom, Max M.
TI Complete genome sequence of Granulicella tundricola type strain
MP5ACTX9(T), an Acidobacteria from tundra soil
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE cold adapted; acidophile; tundra soil; Acidobacteria
ID RIBOSOMAL-RNA GENES; SP-NOV.; BACTERIAL COMMUNITIES; PHYLUM
ACIDOBACTERIA; ARCTIC TUNDRA; DIVERSITY; ANNOTATION; PREDICTION;
DATABASE; SYSTEM
AB Granulicella tundricola strain MP5ACTX9(T) is a novel species of the genus Granulicella in subdivision 1 Acidobacteria. G. tundricola is a predominant member of soil bacterial communities, active at low temperatures and nutrient limiting conditions in Arctic alpine tundra. The organism is a cold-adapted acidophile and a versatile heterotroph that hydrolyzes a suite of sugars and complex polysaccharides. Genome analysis revealed metabolic versatility with genes involved in metabolism and transport of carbohydrates, including gene modules encoding for the carbohydrate-active enzyme (CAZy) families for the breakdown, utilization and biosynthesis of diverse structural and storage polysaccharides such as plant based carbon polymers. The genome of G. tundricola strain MP5ACTX9(T) consists of 4,309,151 bp of a circular chromosome and five mega plasmids with a total genome content of 5,503,984 bp. The genome comprises 4,705 protein-coding genes and 52 RNA genes.
C1 [Rawat, Suman R.; Haeggblom, Max M.] Rutgers State Univ, Dept Biochem & Microbiol, New Brunswick, NJ 08903 USA.
[Mannisto, Minna K.] Finnish Forest Res Inst, Rovaniemi, Finland.
[Starovoytov, Valentin] Rutgers State Univ, Dept Cell Biol & Neurosci, Piscataway, NJ USA.
[Goodwin, Lynne; Davenport, Karen Walston] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Nolan, Matt; Woyke, Tanja] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Hauser, Loren; Land, Miriam] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Haggblom, MM (reprint author), Rutgers State Univ, Dept Biochem & Microbiol, New Brunswick, NJ 08903 USA.
EM haggblom@sebs.rutgers.edu
RI Haggblom, Max/E-7597-2010; Land, Miriam/A-6200-2011
OI Haggblom, Max/0000-0001-6307-7863; Land, Miriam/0000-0001-7102-0031
FU Office of Science of the US Department of Energy [DE-AC02-05CH11231];
Academy of Finland; New Jersey Agricultural Experiment Station
FX The work conducted by the US Department of Energy Joint Genome Institute
is supported by the Office of Science of the US Department of Energy
Under Contract No. DE-AC02-05CH11231. This work was funded in part by
the Academy of Finland and the New Jersey Agricultural Experiment
Station.
NR 60
TC 4
Z9 4
U1 1
U2 21
PU GENOMIC STAND CONSORT
PI EAST LANSING
PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS
SCI BLDG, EAST LANSING, MI 48824 USA
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
BP 449
EP 461
DI 10.4056/sigs.4648353
PG 13
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000050
PM 25197431
ER
PT J
AU Nandasena, K
Yates, R
Tiwari, R
O'Hara, G
Howieson, J
Ninawi, M
Chertkov, O
Detter, C
Tapia, R
Han, SS
Woyke, T
Pitluck, S
Nolan, M
Land, M
Liolios, K
Pati, A
Copeland, A
Kyrpides, N
Ivanova, N
Goodwin, L
Meenakshi, U
Reeve, W
AF Nandasena, Kemanthi
Yates, Ron
Tiwari, Ravi
O'Hara, Graham
Howieson, John
Ninawi, Mohamed
Chertkov, Olga
Detter, Chris
Tapia, Roxanne
Han, Shunseng
Woyke, Tanja
Pitluck, Sam
Nolan, Matt
Land, Miriam
Liolios, Konstantinos
Pati, Amrita
Copeland, Alex
Kyrpides, Nikos
Ivanova, Natalia
Goodwin, Lynne
Meenakshi, Uma
Reeve, Wayne
TI Complete genome sequence of Mesorhizobium ciceri bv. biserrulae type
strain (WSM1271(T))
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE root-nodule bacteria; nitrogen fixation; evolution; lateral gene
transfer; integrative and conjugative elements; symbiosis;
Alphaproteobacteria
ID PELECINUS L; ROOT-NODULE; RNA GENES; BACTERIA; ANNOTATION; PREDICTION;
DATABASE; SYSTEM; ACID; TOOL
AB Mesorhizobium ciceri bv. biserrulae strain WSM1271(T) was isolated from root nodules of the pasture legume Biserrula pelecinus growing in the Mediterranean basin. Previous studies have shown this aerobic, motile, Gram negative, non-spore-forming rod preferably nodulates B. pelecinus - a legume with many beneficial agronomic attributes for sustainable agriculture in Australia. We describe the genome of Mesorhizobium ciceri bv. biserrulae strain WSM1271T consisting of a 6,264,489 bp chromosome and a 425,539 bp plasmid that together encode 6,470 protein-coding genes and 61 RNA-only encoding genes.
C1 [Nandasena, Kemanthi; Yates, Ron; Tiwari, Ravi; O'Hara, Graham; Howieson, John; Ninawi, Mohamed; Meenakshi, Uma; Reeve, Wayne] Murdoch Univ, Ctr Rhizobium Studies, Murdoch, WA 6150, Australia.
[Chertkov, Olga; Detter, Chris; Tapia, Roxanne; Han, Shunseng] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Woyke, Tanja; Pitluck, Sam; Nolan, Matt; Liolios, Konstantinos; Pati, Amrita; Copeland, Alex; Kyrpides, Nikos; Ivanova, Natalia; Goodwin, Lynne] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Land, Miriam] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Reeve, W (reprint author), Murdoch Univ, Ctr Rhizobium Studies, Murdoch, WA 6150, Australia.
EM W.Reeve@murdoch.edu.au
RI Land, Miriam/A-6200-2011; Kyrpides, Nikos/A-6305-2014
OI Land, Miriam/0000-0001-7102-0031; Kyrpides, Nikos/0000-0002-6131-0462
FU US Department of Energy's Office of Science, Biological and
Environmental Research Program; University of California, Lawrence
Berkeley National Laboratory [DE-AC02-05CH11231]; Lawrence Livermore
National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory
[DE-AC02-06NA25396]; Australian Research Council Discovery grant
[DP0880896]; Murdoch University Strategic Research Fund through the Crop
and Plant Research Institute (CaPRI); Centre for Rhizobium Studies (CRS)
at Murdoch University; Australia-China Joint Research Centre for Wheat
Improvement (ACCWI); SuperSeed Technologies (SST)
FX This work was performed under the auspices of the US Department of
Energy's Office of Science, Biological and Environmental Research
Program, and by the University of California, Lawrence Berkeley National
Laboratory under contract No. DE-AC02-05CH11231, Lawrence Livermore
National Laboratory under Contract No. DE-AC52-07NA27344, and Los Alamos
National Laboratory under contract No. DE-AC02-06NA25396. We gratefully
acknowledge the funding received from Australian Research Council
Discovery grant (DP0880896), Murdoch University Strategic Research Fund
through the Crop and Plant Research Institute (CaPRI) and the Centre for
Rhizobium Studies (CRS) at Murdoch University. The authors would like to
thank the Australia-China Joint Research Centre for Wheat Improvement
(ACCWI) and SuperSeed Technologies (SST) for financially supporting
Mohamed Ninawi's PhD project.
NR 34
TC 2
Z9 2
U1 0
U2 12
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
BP 462
EP 472
DI 10.4056/sigs.4458283
PG 11
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000051
PM 25197432
ER
PT J
AU Reeve, W
Tian, R
Brau, L
Goodwin, L
Munk, C
Detter, C
Tapia, R
Han, C
Liolios, K
Huntemann, M
Pati, A
Woyke, T
Mavrommatis, K
Markowitz, V
Ivanova, N
Kyrpides, N
Willems, A
AF Reeve, Wayne
Tian, Rui
Braeu, Lambert
Goodwin, Lynne
Munk, Christine
Detter, Chris
Tapia, Roxanne
Han, Cliff
Liolios, Konstantinos
Huntemann, Marcel
Pati, Amrita
Woyke, Tanja
Mavrommatis, Konstantinos
Markowitz, Victor
Ivanova, Natalia
Kyrpides, Nikos
Willems, Anne
TI Genome sequence of Ensifer arboris strain LMG 14919(T); a microsymbiont
of the legume Prosopis chilensis growing in Kosti, Sudan
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE root-nodule bacteria; nitrogen fixation; rhizobia; Alphaproteobacteria
ID LEGUMINOUS TREES; RNA GENES; SP-NOV; BACTERIA; ANNOTATION; PREDICTION;
MELILOTI; DATABASE; SYSTEM; SOIL
AB Ensifer arboris LMG 14919(T) is an aerobic, motile, Gram-negative, non-spore-forming rod that can exist as a soil saprophyte or as a legume microsymbiont of several species of legume trees. LMG 14919(T) was isolated in 1987 from a nodule recovered from the roots of the tree Prosopis chilensis growing in Kosti, Sudan. LMG 14919(T) is highly effective at fixing nitrogen with P. chilensis (Chilean mesquite) and Acacia senegal (gum Arabic tree or gum acacia). LMG 14919(T) does not nodulate the tree Leucena leucocephala, nor the herbaceous species Macroptilium atropurpureum, Trifolium pratense, Medicago sativa, Lotus corniculatus and Galega orientalis. Here we describe the features of E. arboris LMG 14919(T), together with genome sequence information and its annotation. The 6,850,303 bp high-quality-draft genome is arranged into 7 scaffolds of 12 contigs containing 6,461 protein-coding genes and 84 RNA-only encoding genes, and is one of 100 rhizobial genomes sequenced as part of the DOE Joint Genome Institute 2010 Genomic Encyclopedia for Bacteria and Archaea-Root Nodule Bacteria (GEBA-RNB) project.
C1 [Reeve, Wayne; Tian, Rui] Murdoch Univ, Ctr Rhizobium Studies, Murdoch, WA 6150, Australia.
[Braeu, Lambert] Deakin Univ, Sch Life & Environm Sci, Geelong, Vic 3217, Australia.
[Goodwin, Lynne; Munk, Christine; Detter, Chris; Tapia, Roxanne; Han, Cliff] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Liolios, Konstantinos; Huntemann, Marcel; Pati, Amrita; Woyke, Tanja; Ivanova, Natalia; Kyrpides, Nikos] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Mavrommatis, Konstantinos; Markowitz, Victor] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA.
[Willems, Anne] Univ Ghent, Fac Sci, Dept Biochem & Microbiol, Microbiol Lab, B-9000 Ghent, Belgium.
RP Reeve, W (reprint author), Murdoch Univ, Ctr Rhizobium Studies, Murdoch, WA 6150, Australia.
EM W.Reeve@murdoch.edu.au
RI Willems, Anne/B-2872-2010; Kyrpides, Nikos/A-6305-2014
OI Willems, Anne/0000-0002-8421-2881; Kyrpides, Nikos/0000-0002-6131-0462
FU US Department of Energy's Office of Science, Biological and
Environmental Research Program; University of California, Lawrence
Berkeley National Laboratory [DE-AC02-05CH11231]; Lawrence Livermore
National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory
[DE-AC02-06NA25396]
FX This work was performed under the auspices of the US Department of
Energy's Office of Science, Biological and Environmental Research
Program, and by the University of California, Lawrence Berkeley National
Laboratory under contract No. DE-AC02-05CH11231, Lawrence Livermore
National Laboratory under Contract No. DE-AC52-07NA27344, and Los Alamos
National Laboratory under contract No. DE-AC02-06NA25396.
NR 40
TC 2
Z9 2
U1 1
U2 5
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
BP 473
EP 483
DI 10.4056/sigs.4828625
PG 11
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000052
PM 25197433
ER
PT J
AU Willems, A
Tian, R
Brau, L
Goodwin, L
Han, J
Liolios, K
Huntemann, M
Pati, A
Woyke, T
Mavrommatis, K
Markowitz, V
Ivanova, N
Kyrpides, N
Reeve, W
AF Willems, Anne
Tian, Rui
Braeu, Lambert
Goodwin, Lynne
Han, James
Liolios, Konstantinos
Huntemann, Marcel
Pati, Amrita
Woyke, Tanja
Mavrommatis, Konstantinos
Markowitz, Victor
Ivanova, Natalia
Kyrpides, Nikos
Reeve, Wayne
TI Genome sequence of Burkholderia mimosarum strain LMG 23256(T), a Mimosa
pigra microsymbiont from Anso, Taiwan
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE root-nodule bacteria; nitrogen fixation; rhizobia; Betaproteobacteria
ID SP-NOV.; ROOT-NODULES; BETA-RHIZOBIA; GENETIC DIVERSITY; INVASIVE PLANT;
SOUTH-AMERICA; LEGUMES; SPP.; PHYMATUM; PROTEOBACTERIA
AB Burkholderia mimosarum strain LMG 23256(T) is an aerobic, motile, Gram-negative, non-spore-forming rod that can exist as a soil saprophyte or as a legume microsymbiont of Mimosa pigra (giant sensitive plant). LMG 23256(T) was isolated from a nodule recovered from the roots of the M. pigra growing in Anso, Taiwan. LMG 23256(T) is highly effective at fixing nitrogen with M. pigra. Here we describe the features of B. mimosarum strain LMG 23256(T), together with genome sequence information and its annotation. The 8,410,967 bp high-quality-draft genome is arranged into 268 scaffolds of 270 contigs containing 7,800 protein-coding genes and 85 RNA-only encoding genes, and is one of 100 rhizobial genomes sequenced as part of the DOE Joint Genome Institute 2010 Genomic Encyclopedia for Bacteria and Archaea-Root Nodule Bacteria (GEBA-RNB) project.
C1 [Willems, Anne] Univ Ghent, Dept Biochem & Microbiol, Fac Sci, Microbiol Lab, B-9000 Ghent, Belgium.
[Tian, Rui; Reeve, Wayne] Murdoch Univ, Ctr Rhizobium Studies, Murdoch, WA 6150, Australia.
[Braeu, Lambert] Deakin Univ, Sch Life & Environm Sci, Geelong, Vic 3217, Australia.
[Goodwin, Lynne] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Han, James; Liolios, Konstantinos; Huntemann, Marcel; Pati, Amrita; Woyke, Tanja; Ivanova, Natalia; Kyrpides, Nikos] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Mavrommatis, Konstantinos; Markowitz, Victor] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA.
RP Reeve, W (reprint author), Murdoch Univ, Ctr Rhizobium Studies, Murdoch, WA 6150, Australia.
EM W.Reeve@murdoch.edu.au
RI Willems, Anne/B-2872-2010; Kyrpides, Nikos/A-6305-2014;
OI Willems, Anne/0000-0002-8421-2881; Kyrpides, Nikos/0000-0002-6131-0462;
Ivanova, Natalia/0000-0002-5802-9485
FU US Department of Energy's Office of Science, Biological and
Environmental Research Program; University of California, Lawrence
Berkeley National Laboratory [DE-AC02-05CH11231]; Lawrence Livermore
National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory
[DE-AC02-06NA25396]; Murdoch University Strategic Research Fund through
the Crop and Plant Research Institute (CaPRI); Centre for Rhizobium
Studies (CRS) at Murdoch University
FX This work was performed under the auspices of the US Department of
Energy's Office of Science, Biological and Environmental Research
Program, and by the University of California, Lawrence Berkeley National
Laboratory under contract No. DE-AC02-05CH11231, Lawrence Livermore
National Laboratory under Contract No. DE-AC52-07NA27344, and Los Alamos
National Laboratory under contract No. DE-AC02-06NA25396. We gratefully
acknowledge the funding received from the Murdoch University Strategic
Research Fund through the Crop and Plant Research Institute (CaPRI) and
the Centre for Rhizobium Studies (CRS) at Murdoch University.
NR 44
TC 1
Z9 1
U1 0
U2 5
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
BP 484
EP 494
DI 10.4056/sigs.4848627
PG 11
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000053
PM 25197434
ER
PT J
AU Reeve, W
Ballard, R
Howieson, J
Drew, E
Tian, R
Brau, L
Munk, C
Davenport, K
Chain, P
Goodwin, L
Pagani, I
Huntemann, M
Mavrommatis, K
Pati, A
Markowitz, V
Ivanova, N
Woyke, T
Kyrpides, N
AF Reeve, Wayne
Ballard, Ross
Howieson, John
Drew, Elizabeth
Tian, Rui
Braeu, Lambert
Munk, Christine
Davenport, Karen
Chain, Patrick
Goodwin, Lynne
Pagani, Ioanna
Huntemann, Marcel
Mavrommatis, Konstantinos
Pati, Amrita
Markowitz, Victor
Ivanova, Natalia
Woyke, Tanja
Kyrpides, Nikos
TI Genome sequence of Ensifer medicae strain WSM1115; an acid-tolerant
Medicago-nodulating microsymbiont from Samothraki, Greece
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE root-nodule bacteria; nitrogen fixation; rhizobia; Alphaproteobacteria
ID RHIZOBIUM-MELILOTI; SINORHIZOBIUM-MELILOTI; RNA GENES; SOIL-PH; SP-NOV;
FIXATION; TRUNCATULA; BACTERIA; ANNOTATION; PREDICTION
AB Ensifer medicae strain WSM1115 forms effective nitrogen fixing symbioses with a range of annual Medicago species and is used in commercial inoculants in Australia. WSM1115 is an aerobic, motile, Gram-negative, non-spore-forming rod. It was isolated from a nodule recovered from the root of burr medic (Medicago polymorpha) collected on the Greek Island of Samothraki. WSM1115 has a broad host range for nodulation and N-2 fixation capacity within the genus Medicago, although this does not extend to all medic species. WSM1115 is considered saprophytically competent in moderately acid soils (pH(CaCl2) 5.0), but it has failed to persist at field sites where soil salinity exceeded 10 ECe (dS/m). Here we describe the features of E. medicae strain WSM1115, together with genome sequence information and its annotation. The 6,861,065 bp high-quality-draft genome is arranged into 7 scaffolds of 28 contigs, contains 6,789 protein-coding genes and 83 RNA-only encoding genes, and is one of 100 rhizobial genomes sequenced as part of the DOE Joint Genome Institute 2010 Genomic Encyclopedia for Bacteria and Archaea-Root Nodule Bacteria (GEBA-RNB) project.
C1 [Reeve, Wayne; Howieson, John; Tian, Rui] Murdoch Univ, Ctr Rhizobium Studies, Murdoch, WA 6150, Australia.
[Ballard, Ross; Drew, Elizabeth] South Australian Res & Dev Inst, Urrbrae, SA, Australia.
[Braeu, Lambert] Deakin Univ, Sch Life & Environm Sci, Geelong, Vic 3217, Australia.
[Munk, Christine; Davenport, Karen; Chain, Patrick; Goodwin, Lynne] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Pagani, Ioanna; Huntemann, Marcel; Pati, Amrita; Ivanova, Natalia; Woyke, Tanja; Kyrpides, Nikos] US DOE, Genome Inst, Walnut Creek, CA USA.
[Mavrommatis, Konstantinos; Markowitz, Victor] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA.
RP Reeve, W (reprint author), Murdoch Univ, Ctr Rhizobium Studies, Murdoch, WA 6150, Australia.
EM W.Reeve@murdoch.edu.au
RI Kyrpides, Nikos/A-6305-2014;
OI Kyrpides, Nikos/0000-0002-6131-0462; Chain, Patrick/0000-0003-3949-3634
FU US Department of Energy's Office of Science, Biological and
Environmental Research Program; University of California, Lawrence
Berkeley National Laboratory [DE-AC02-05CH11231]; Lawrence Livermore
National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory
[DE-AC02-06NA25396]; Murdoch University Strategic Research Fund through
the Crop and Plant Research Institute (CaPRI); Centre for Rhizobium
Studies (CRS) at Murdoch University; GRDC National Rhizobium Program
[UMU63]
FX This work was performed under the auspices of the US Department of
Energy's Office of Science, Biological and Environmental Research
Program, and by the University of California, Lawrence Berkeley National
Laboratory under contract No. DE-AC02-05CH11231, Lawrence Livermore
National Laboratory under Contract No. DE-AC52-07NA27344, and Los Alamos
National Laboratory under contract No. DE-AC02-06NA25396. We gratefully
acknowledge the funding received from the Murdoch University Strategic
Research Fund through the Crop and Plant Research Institute (CaPRI) and
the Centre for Rhizobium Studies (CRS) at Murdoch University and the
GRDC National Rhizobium Program (Project UMU63).
NR 49
TC 0
Z9 0
U1 0
U2 2
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
BP 514
EP 526
DI 10.4056/sigs.4938652
PG 13
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000056
PM 25197437
ER
PT J
AU Terpolilli, J
Rui, T
Yates, R
Howieson, J
Poole, P
Munk, C
Tapia, R
Han, C
Markowitz, V
Tatiparthi, R
Mavrommatis, K
Ivanova, N
Pati, A
Goodwin, L
Woyke, T
Kyrpides, N
Reeve, W
AF Terpolilli, Jason
Rui, Tian
Yates, Ron
Howieson, John
Poole, Philip
Munk, Christine
Tapia, Roxanne
Han, Cliff
Markowitz, Victor
Tatiparthi, Reddy
Mavrommatis, Konstantinos
Ivanova, Natalia
Pati, Amrita
Goodwin, Lynne
Woyke, Tanja
Kyrpides, Nikos
Reeve, Wayne
TI Genome sequence of Rhizobium leguminosarum bv trifolii strain WSM1689,
the microsymbiont of the one flowered clover Trifolium uniflorum
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE root-nodule bacteria; nitrogen fixation; lupin-nodulating; rhizobia;
Alphaproteobacteria
ID RNA GENES; ANNOTATION; PREDICTION; REVISION; BACTERIA; DATABASE; SYSTEM;
TOOL
AB Rhizobium leguminosarum bv. trifolii is a soil-inhabiting bacterium that has the capacity to be an effective N-2-fixing microsymbiont of Trifolium (clover) species. R. leguminosarum bv. trifolii strain WSM1689 is an aerobic, motile, Gram-negative, non-spore-forming rod that was isolated from a root nodule of Trifolium uniflorum collected on the edge of a valley 6 km from Eggares on the Greek Island of Naxos. Although WSM1689 is capable of highly effective N-2-fixation with T. uniflorum, it is either unable to nodulate or unable to fix N-2 with a wide range of both perennial and annual clovers originating from Europe, North America and Africa. WSM1689 therefore possesses a very narrow host range for effective N-2 fixation and can thus play a valuable role in determining the geographic and phenological barriers to symbiotic performance in the genus Trifolium. Here we describe the features of R. leguminosarum bv. trifolii strain WSM1689, together with the complete genome sequence and its annotation. The 6,903,379 bp genome contains 6,709 protein-coding genes and 89 RNA-only encoding genes. This multipartite genome contains six distinct replicons; a chromosome of size 4,854,518 bp and five plasmids of size 667,306, 518,052, 341,391, 262,704 and 259,408 bp. This rhizobial genome is one of 20 sequenced as part of a DOE Joint Genome Institute 2010 Community Sequencing Program.
C1 [Terpolilli, Jason; Rui, Tian; Yates, Ron; Howieson, John; Reeve, Wayne] Murdoch Univ, Ctr Rhizobium Studies, Perth, WA, Australia.
[Poole, Philip] Univ Oxford, Dept Plant Sci, Oxford OX1 2JD, England.
[Poole, Philip] Murdoch Univ, Perth, WA, Australia.
[Munk, Christine; Tapia, Roxanne; Han, Cliff; Goodwin, Lynne] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Markowitz, Victor; Mavrommatis, Konstantinos] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA.
[Tatiparthi, Reddy; Ivanova, Natalia; Pati, Amrita; Woyke, Tanja; Kyrpides, Nikos] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
RP Reeve, W (reprint author), Murdoch Univ, Ctr Rhizobium Studies, Perth, WA, Australia.
EM W.Reeve@murdoch.edu.au
RI Kyrpides, Nikos/A-6305-2014;
OI Kyrpides, Nikos/0000-0002-6131-0462; Terpolilli,
Jason/0000-0003-4306-3346
FU US Department of Energy's Office of Science, Biological and
Environmental Research Program; University of California, Lawrence
Berkeley National Laboratory [DE-AC02-05CH11231]; Lawrence Livermore
National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory
[DE-AC02-06NA25396]; Murdoch University Sir Walter Murdoch Adjunct
Professor Scheme
FX This work was performed under the auspices of the US Department of
Energy's Office of Science, Biological and Environmental Research
Program, and by the University of California, Lawrence Berkeley National
Laboratory under contract No. DE-AC02-05CH11231, Lawrence Livermore
National Laboratory under Contract No. DE-AC52-07NA27344, and Los Alamos
National Laboratory under contract No. DE-AC02-06NA25396. We gratefully
acknowledge the funding received from the Murdoch University Sir Walter
Murdoch Adjunct Professor Scheme for Professor Philip Poole.
NR 42
TC 1
Z9 1
U1 1
U2 9
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
BP 527
EP 539
DI 10.4056/sigs.4988693
PG 13
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000057
PM 25197438
ER
PT J
AU Reeve, W
Ardley, J
Tian, R
De Meyer, S
Terpolilli, J
Melino, V
Tiwari, R
Yates, R
O'Hara, G
Howieson, J
Ninawi, M
Zhang, XJ
Bruce, D
Detter, C
Tapia, R
Han, C
Wei, CL
Huntemann, M
Han, J
Chen, IM
Mavromatis, K
Markowitz, V
Szeto, E
Ivanova, N
Pagani, I
Pati, A
Goodwin, L
Woyke, T
Kyrpides, N
AF Reeve, Wayne
Ardley, Julie
Tian, Rui
De Meyer, Sofie
Terpolilli, Jason
Melino, Vanessa
Tiwari, Ravi
Yates, Ronald
O'Hara, Graham
Howieson, John
Ninawi, Mohamed
Zhang, Xiaojing
Bruce, David
Detter, Chris
Tapia, Roxanne
Han, Cliff
Wei, Chia-Lin
Huntemann, Marcel
Han, James
Chen, I-Min
Mavromatis, Konstantinos
Markowitz, Victor
Szeto, Ernest
Ivanova, Natalia
Pagani, Ioanna
Pati, Amrita
Goodwin, Lynne
Woyke, Tanja
Kyrpides, Nikos
TI Genome sequence of the Listia angolensis microsymbiont Microvirga
lotononidis strain WSM3557(T)
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE root-nodule bacteria; nitrogen fixation; symbiotic specificity;
Alphaproteobacteria
ID RNA GENES; BACTERIA; ANNOTATION; PREDICTION; BAINESII; DATABASE;
LEGUMES; SYSTEMS; TOOL
AB Microvirga lotononidis is a recently described species of root-nodule bacteria that is an effective nitrogen-(N-2) fixing microsymbiont of the symbiotically specific African legume Listia angolensis (Welw. ex Bak.) B.-E. van Wyk & Boatwr. M. lotononidis possesses several properties that are unusual in root-nodule bacteria, including pigmentation and the ability to grow at temperatures of up to 45 degrees C. Strain WSM3557(T) is an aerobic, motile, Gram-negative, non-spore-forming rod isolated from a L. angolensis root nodule collected in Chipata, Zambia in 1963. This is the first report of a complete genome sequence for the genus Microvirga. Here we describe the features of Microvirga lotononidis strain WSM3557(T), together with genome sequence information and annotation. The 7,082,538 high-quality-draft genome is arranged in 18 scaffolds of 104 contigs, contains 6,956 protein-coding genes and 84 RNA-only encoding genes, and is one of 20 rhizobial genomes sequenced as part of the DOE Joint Genome Institute 2010 Community Sequencing Program.
C1 [Reeve, Wayne; Ardley, Julie; Tian, Rui; De Meyer, Sofie; Terpolilli, Jason; Melino, Vanessa; Tiwari, Ravi; Yates, Ronald; O'Hara, Graham; Howieson, John; Ninawi, Mohamed] Murdoch Univ, Ctr Rhizobium Studies, Murdoch, WA 6150, Australia.
[Yates, Ronald] Dept Agr & Food, South Perth, WA, Australia.
[Zhang, Xiaojing; Goodwin, Lynne] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Bruce, David; Detter, Chris; Tapia, Roxanne; Han, Cliff; Wei, Chia-Lin; Huntemann, Marcel; Han, James; Mavromatis, Konstantinos; Ivanova, Natalia; Pagani, Ioanna; Pati, Amrita; Woyke, Tanja; Kyrpides, Nikos] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Chen, I-Min; Markowitz, Victor; Szeto, Ernest] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA.
RP Reeve, W (reprint author), Murdoch Univ, Ctr Rhizobium Studies, Murdoch, WA 6150, Australia.
EM W.Reeve@murdoch.edu.au
RI Melino, Vanessa/B-1920-2012; Kyrpides, Nikos/A-6305-2014
OI Melino, Vanessa/0000-0003-2742-5079; Kyrpides, Nikos/0000-0002-6131-0462
FU US Department of Energy's Office of Science, Biological and
Environmental Research Program; University of California, Lawrence
Berkeley National Laboratory [DE-AC02-05CH11231]; Lawrence Livermore
National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory
[DE-AC02-06NA25396]; Murdoch University Strategic Research Fund through
the Crop and Plant Research Institute (CaPRI); Centre for Rhizobium
Studies (CRS) at Murdoch University; Australia-China Joint Research
Centre for Wheat Improvement (ACCWI) and SuperSeed Technologies (SST)
FX This work was performed under the auspices of the US Department of
Energy's Office of Science, Biological and Environmental Research
Program, and by the University of California, Lawrence Berkeley National
Laboratory under contract No. DE-AC02-05CH11231, Lawrence Livermore
National Laboratory under Contract No. DE-AC52-07NA27344, and Los Alamos
National Laboratory under contract No. DE-AC02-06NA25396. We gratefully
acknowledge the funding received from the Murdoch University Strategic
Research Fund through the Crop and Plant Research Institute (CaPRI) and
the Centre for Rhizobium Studies (CRS) at Murdoch University. The
authors would like to thank the Australia-China Joint Research Centre
for Wheat Improvement (ACCWI) and SuperSeed Technologies (SST) for
financially supporting Mohamed Ninawi's PhD project.
NR 37
TC 1
Z9 2
U1 1
U2 2
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
BP 540
EP 550
DI 10.4056/sigs.4548266
PG 11
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000058
PM 25197439
ER
PT J
AU Walker, R
Watkin, E
Tian, R
Brau, L
O'Hara, G
Goodwin, L
Han, J
Lobos, E
Huntemann, M
Pati, A
Woyke, T
Mavromatis, K
Markowitz, V
Ivanova, N
Kyrpides, N
Reeve, W
AF Walker, Robert
Watkin, Elizabeth
Tian, Rui
Braeu, Lambert
O'Hara, Graham
Goodwin, Lynne
Han, James
Lobos, Elizabeth
Huntemann, Marcel
Pati, Amrita
Woyke, Tanja
Mavromatis, Konstantinos
Markowitz, Victor
Ivanova, Natalia
Kyrpides, Nikos
Reeve, Wayne
TI Genome sequence of the acid-tolerant Burkholderia sp. strain WSM2230
from Karijini National Park, Australia
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE root-nodule bacteria; nitrogen fixation; rhizobia; Betaproteobacteria
ID NITROGEN-FIXATION; DIVERSITY; BACTERIA; PROPOSAL; LEGUMES; SYSTEM;
GENUS; NOV
AB Burkholderia sp. strain WSM2230 is an aerobic, motile, Gram-negative, non-spore-forming acid- tolerant rod isolated from acidic soil collected in 2001 from Karijini National Park, Western Australia, using Kennedia coccinea (Coral Vine) as a host. WSM2230 was initially effective in nitrogen-fixation with K. coccinea, but subsequently lost symbiotic competence. Here we describe the features of Burkholderia sp. strain WSM2230, together with genome sequence information and its annotation. The 6,309,801 bp high-quality-draft genome is arranged into 33 scaffolds of 33 contigs containing 5,590 protein-coding genes and 63 RNA-only encoding genes. The genome sequence of WSM2230 failed to identify nodulation genes and provides an explanation for the observed failure of the laboratory grown strain to nodulate. The genome of this strain is one of 100 sequenced as part of the DOE Joint Genome Institute 2010 Genomic Encyclopedia for Bacteria and Archaea-Root Nodule Bacteria (GEBA-RNB) project.
C1 [Walker, Robert; Watkin, Elizabeth] Curtin Univ, Fac Hlth Sci, Sch Biomed Sci, Perth, WA, Australia.
[Tian, Rui; O'Hara, Graham; Reeve, Wayne] Murdoch Univ, Sch Vet & Life Sci, Ctr Rhizobium Studies, Murdoch, WA 6150, Australia.
[Braeu, Lambert] Deakin Univ, Sch Life & Environm Sci, Geelong, Vic 3217, Australia.
[Goodwin, Lynne] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Han, James; Lobos, Elizabeth; Huntemann, Marcel; Pati, Amrita; Woyke, Tanja; Mavromatis, Konstantinos; Ivanova, Natalia; Kyrpides, Nikos] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Markowitz, Victor] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA.
RP Reeve, W (reprint author), Murdoch Univ, Sch Vet & Life Sci, Ctr Rhizobium Studies, Murdoch, WA 6150, Australia.
EM W.Reeve@murdoch.edu.au
RI Walker, Robert/A-2648-2017; Kyrpides, Nikos/A-6305-2014;
OI Walker, Robert/0000-0002-2064-4546; Kyrpides, Nikos/0000-0002-6131-0462;
Ivanova, Natalia/0000-0002-5802-9485
FU US Department of Energy's Office of Science, Biological and
Environmental Research Program; University of California, Lawrence
Berkeley National Laboratory [DE-AC02-05CH11231]; Lawrence Livermore
National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory
[DE-AC02-06NA25396]
FX This work was performed under the auspices of the US Department of
Energy's Office of Science, Biological and Environmental Research
Program, and by the University of California, Lawrence Berkeley National
Laboratory under contract No. DE-AC02-05CH11231, Lawrence Livermore
National Laboratory under Contract No. DE-AC52-07NA27344, and Los Alamos
National Laboratory under contract No. DE-AC02-06NA25396.
NR 36
TC 2
Z9 2
U1 1
U2 4
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
BP 551
EP 561
DI 10.4056/sigs.5008793
PG 11
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000059
PM 25197440
ER
PT J
AU Breider, S
Teshima, H
Petersen, J
Chertkov, O
Dalingault, H
Chen, A
Pati, A
Ivanova, N
Lapidus, A
Goodwin, LA
Chain, P
Detter, JC
Rohde, M
Tindall, BJ
Kyrpides, NC
Woyke, T
Simon, M
Goker, M
Klenk, HP
Brinkhoff, T
AF Breider, Sven
Teshima, Hazuki
Petersen, Joern
Chertkov, Olga
Dalingault, Hajnalka
Chen, Amy
Pati, Amrita
Ivanova, Natalia
Lapidus, Alla
Goodwin, Lynne A.
Chain, Patrick
Detter, John C.
Rohde, Manfred
Tindall, Brian J.
Kyrpides, Nikos C.
Woyke, Tanja
Simon, Meinhard
Goeker, Markus
Klenk, Hans-Peter
Brinkhoff, Thorsten
TI Genome sequence and emended description of Leisingera nanhaiensis strain
DSM 24252(T) isolated from marine sediment
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE Marine; motile; facultative anaerobe; methylated compounds;
Rhodobacteraceae; Roseobacter clade
ID STANDARD OPERATING PROCEDURE; SOUTH CHINA SEA; SP-NOV.; ROSEOBACTER
CLADE; PHAEOBACTER-INHIBENS; GEN. NOV.; ELECTROACTIVE BIOFILM; TIDAL
FLAT; PROKARYOTES; PLASMIDS
AB Leisingera nanhaiensis DSM 24252(T) is a Gram-negative, motile, rod-shaped marine Alphaproteobacterium, isolated from sandy marine sediments. Here we present the non-contiguous genome sequence and annotation together with a summary of the organism's phenotypic features. The 4,948,550 bp long genome with its 4,832 protein-coding and 64 RNA genes consists of one chromosome and six extrachromosomal elements with lengths of 236 kb, 92 kb, 61 kb, 58 kb, 56 kb, and 35 kb, respectively. The analysis of the genome showed that DSM 24252(T) possesses all genes necessary for dissimilatory nitrite reduction, and the strain was shown to be facultatively anaerobic, a deviation from the original description that calls for an emendation of the species. Also present in the genome are genes coding for a putative prophage, for gene-transfer agents and for the utilization of methylated amines. Phylogenetic analysis and intergenomic distances indicate that L. nanhaiensis might not belong to the genus Leisingera.
C1 [Breider, Sven; Simon, Meinhard; Brinkhoff, Thorsten] Carl von Ossietzky Univ Oldenburg, Inst Chem & Biol Marine Environm, D-26111 Oldenburg, Germany.
[Teshima, Hazuki; Chertkov, Olga; Dalingault, Hajnalka; Goodwin, Lynne A.; Chain, Patrick; Detter, John C.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Petersen, Joern; Tindall, Brian J.; Goeker, Markus; Klenk, Hans-Peter] Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
[Chen, Amy] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA.
[Pati, Amrita; Ivanova, Natalia; Lapidus, Alla; Goodwin, Lynne A.; Detter, John C.; Kyrpides, Nikos C.; Woyke, Tanja] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Rohde, Manfred] HZI Helmholtz Ctr Infect Res, Braunschweig, Germany.
RP Goker, M (reprint author), Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
EM mgo08@dsmz.de
RI Kyrpides, Nikos/A-6305-2014; Lapidus, Alla/I-4348-2013;
OI Ivanova, Natalia/0000-0002-5802-9485; Kyrpides,
Nikos/0000-0002-6131-0462; Lapidus, Alla/0000-0003-0427-8731; Chain,
Patrick/0000-0003-3949-3634
FU Office of tract [DE-AC02-05CH11231]; German Research Foundation (DFG)
[Transregio-SFB 51]
FX The authors would like to gratefully acknowledge the assistance of Helga
Pomrenke for growing L. nanhaiensis cultures and Evelyne-Marie Brambilla
for DNA extraction and quality control (both at the DSMZ). The work
conducted by the U. S. Department of Energy Joint Genome Institute was
supported by the Office of tract No. DE-AC02-05CH11231; the work
conducted by the members of the Roseobacter consortium was supported by
the German Research Foundation (DFG) Transregio-SFB 51.
NR 60
TC 5
Z9 5
U1 0
U2 6
PU GENOMIC STAND CONSORT
PI EAST LANSING
PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS
SCI BLDG, EAST LANSING, MI 48824 USA
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
BP 687
EP 703
DI 10.4056/sigs.3828824
PG 17
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000072
PM 25197454
ER
PT J
AU Field, D
Sterk, P
Kottmann, R
De Smet, JW
Amaral-Zettler, L
Cochrane, G
Cole, JR
Davies, N
Dawyndt, P
Garrity, GM
Gilbert, JA
Glockner, FO
Hirschman, L
Klenk, HP
Knight, R
Kyrpides, N
Meyer, F
Karsch-Mizrachi, I
Morrison, N
Robbins, R
San Gil, I
Sansone, S
Schriml, L
Tatusova, T
Ussery, D
Yilmaz, P
White, O
Wooley, J
Caporaso, G
AF Field, Dawn
Sterk, Peter
Kottmann, Renzo
De Smet, J. Wim
Amaral-Zettler, Linda
Cochrane, Guy
Cole, James R.
Davies, Neil
Dawyndt, Peter
Garrity, George M.
Gilbert, Jack A.
Gloeckner, Frank Oliver
Hirschman, Lynette
Klenk, Hans-Peter
Knight, Rob
Kyrpides, Nikos
Meyer, Folker
Karsch-Mizrachi, Ilene
Morrison, Norman
Robbins, Robert
San Gil, Inigo
Sansone, Susanna
Schriml, Lynn
Tatusova, Tatiana
Ussery, Dave
Yilmaz, Pelin
White, Owen
Wooley, John
Caporaso, Gregory
TI Genomic Standards Consortium Projects
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
ID MINIMUM INFORMATION
AB The Genomic Standards Consortium (GSC) is an open-membership community that was founded in 2005 to work towards the development, implementation and harmonization of standards in the field of genomics. Starting with the defined task of establishing a minimal set of descriptions the GSC has evolved into an active standards-setting body that currently has 18 ongoing projects, with additional projects regularly proposed from within and outside the GSC. Here we describe our recently enacted policy for proposing new activities that are intended to be taken on by the GSC, along with the template for proposing such new activities. Copyright (C) retained by original authors
C1 [Field, Dawn] Ctr Ecol & Hydrol, Wallingford OX10 8BB, Oxon, England.
[Field, Dawn; Sterk, Peter; Sansone, Susanna] Univ Oxford, Oxford e Res Ctr, Oxford, England.
[Kottmann, Renzo; Gloeckner, Frank Oliver; Yilmaz, Pelin] Bremen & Jacobs Univ Bremen, Max Planck Inst Marine Microbiol, Microbial Genom Grp, Bremen, Germany.
[De Smet, J. Wim; Dawyndt, Peter] Univ Ghent, Dept Appl Math & Comp Sci, B-9000 Ghent, Belgium.
[Amaral-Zettler, Linda] Marine Biol Lab, Josephine Bay Paul Ctr Comparat Mol Biol & Evolut, Woods Hole, MA 02543 USA.
[Cochrane, Guy] European Bioinformat Inst, European Mol Biol Lab EMBL Outstn, Cambridge, England.
[Cole, James R.] Michigan State Univ, Ctr Microbial Ecol, E Lansing, MI 48824 USA.
[Davies, Neil] Univ Calif Berkeley, Gump South Pacific Res Stn, Moorea, Fr Polynesia.
[Davies, Neil] Univ Oxford, Dept Zool, Biodivers Inst, Oxford OX1 3PS, England.
[Garrity, George M.] Michigan State Univ, Dept Microbiol & Mol Genet, E Lansing, MI 48824 USA.
[Gilbert, Jack A.; Meyer, Folker] Argonne Natl Lab, Inst Genom & Syst Biol, Argonne, IL 60439 USA.
[Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA.
[Hirschman, Lynette] Mitre Corp, Ctr Informat Technol, Bedford, MA 01730 USA.
[Klenk, Hans-Peter] DSMZ German Collect Microorganisms & Cell Culture, Braunschweig, Germany.
[Knight, Rob] Univ Colorado, Howard Hughes Med Inst, Boulder, CO 80309 USA.
[Knight, Rob] Univ Colorado, BioFrontiers Inst, Boulder, CO 80309 USA.
[Knight, Rob] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
[Kyrpides, Nikos] DOE Joint Genome Inst, Walnut Creek, CA USA.
[Meyer, Folker] Univ Chicago, Computat Inst, Chicago, IL 60637 USA.
[Karsch-Mizrachi, Ilene; Tatusova, Tatiana] NIH, Natl Ctr Biotechnol Informat, Natl Lib Med, Bethesda, MD 20892 USA.
[Morrison, Norman] Univ Manchester, Manchester, Lancs, England.
[Robbins, Robert; Wooley, John] Univ Calif San Diego, La Jolla, CA 92093 USA.
[San Gil, Inigo] Univ New Mexico, Dept Biol, LTER Network Off, Albuquerque, NM 87131 USA.
[Schriml, Lynn; White, Owen] Univ Maryland, Sch Med, Inst Genome Sci, Baltimore, MD 21201 USA.
[Ussery, Dave] DOE Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Caporaso, Gregory] No Arizona Univ, Ctr Microbial Genet & Genom, Flagstaff, AZ 86011 USA.
RP Field, D (reprint author), Ctr Ecol & Hydrol, Maclean Bldg,Benson Lane, Wallingford OX10 8BB, Oxon, England.
RI Knight, Rob/D-1299-2010; Davies, Neil/E-5863-2012;
OI Dawyndt, Peter/0000-0002-1623-9070; Yilmaz, Pelin/0000-0003-4724-323X;
Sterk, Peter/0000-0003-1668-7778; Davies, Neil/0000-0001-8085-5014;
Cochrane, Guy/0000-0001-7954-7057; Schriml, Lynn/0000-0001-8910-9851;
Ussery, David/0000-0003-3632-5512; Kyrpides, Nikos/0000-0002-6131-0462
NR 3
TC 8
Z9 8
U1 0
U2 6
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
DI 10.4056/sigs.5559680
PG 3
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000023
PM 25197446
ER
PT J
AU Marais, EA
Jacob, DJ
Guenther, A
Chance, K
Kurosu, TP
Murphy, JG
Reeves, CE
Pye, HOT
AF Marais, E. A.
Jacob, D. J.
Guenther, A.
Chance, K.
Kurosu, T. P.
Murphy, J. G.
Reeves, C. E.
Pye, H. O. T.
TI Improved model of isoprene emissions in Africa using Ozone Monitoring
Instrument (OMI) satellite observations of formaldehyde: implications
for oxidants and particulate matter
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID ORGANIC-COMPOUND EMISSIONS; BIOGENIC HYDROCARBON EMISSIONS; AREA INDEX
PRODUCTS; WEST-AFRICA; FLUX MEASUREMENTS; TROPICAL FOREST; MEGAN MODEL;
PHOTOOXIDATION; EXPRESSO; AEROSOLS
AB We use a 2005-2009 record of isoprene emissions over Africa derived from Ozone Monitoring Instrument (OMI) satellite observations of formaldehyde (HCHO) to better understand the factors controlling isoprene emission in the continent and evaluate the impact on atmospheric composition. OMI-derived isoprene emissions show large seasonality over savannas driven by temperature and leaf area index (LAI), and much weaker seasonality over equatorial forests driven by temperature. The commonly used MEGAN (Model of Emissions of Gases and Aerosols from Nature, version 2.1) global isoprene emission model reproduces this seasonality but is biased high, particularly for equatorial forests, when compared to OMI and relaxed-eddy accumulation measurements. Isoprene emissions in MEGAN are computed as the product of an emission factor E-o, LAI, and activity factors dependent on environmental variables. We use the OMI-derived emissions to provide improved estimates of E-o that are in good agreement with direct leaf measurements from field campaigns (r = 0.55, bias = -19%). The largest downward corrections to MEGAN E-o values are for equatorial forests and semi-arid environments, and this is consistent with latitudinal transects of isoprene over western Africa from the African Monsoon Multidisciplinary Analysis (AMMA) aircraft campaign. Total emission of isoprene in Africa is estimated to be 77 Tg Ca-1, compared to 104 TgC a(-1) in MEGAN. Simulations with the GEOS-Chem oxidant-aerosol model suggest that isoprene emissions increase mean surface ozone in western Africa by up to 8 ppbv, and particulate matter by up to 1.5 mu gm(-3), due to coupling with anthropogenic influences.
C1 [Marais, E. A.; Jacob, D. J.] Harvard Univ, Cambridge, MA 02138 USA.
[Marais, E. A.; Jacob, D. J.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA.
[Guenther, A.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Chance, K.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA.
[Kurosu, T. P.] CALTECH, Jet Prop Lab, Pasadena, CA USA.
[Murphy, J. G.] Univ Toronto, Dept Chem, Toronto, ON M5S 1A1, Canada.
[Reeves, C. E.] Univ E Anglia, Sch Environm Sci, Norwich NR4 7TJ, Norfolk, England.
[Pye, H. O. T.] US EPA, Natl Exposure Res Lab, Res Triangle Pk, NC 27711 USA.
RP Marais, EA (reprint author), Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA.
EM emarais@seas.harvard.edu
RI Chem, GEOS/C-5595-2014; Guenther, Alex/B-1617-2008; Murphy,
Jennifer/C-2367-2011; Pye, Havala/F-5392-2012;
OI Guenther, Alex/0000-0001-6283-8288; Pye, Havala/0000-0002-2014-2140;
Chance, Kelly/0000-0002-7339-7577; Marais, Eloise/0000-0001-5477-8051
FU NASA; South African National Research Scholarship for Study Abroad
FX This work was funded by NASA through the Aura Science Team and by a
South African National Research Scholarship for Study Abroad awarded to
E. A. Marais. The United States Environmental Protection Agency through
its Office of Research and Development collaborated in the research
described here. It has been subjected to Agency review and approved for
publication, but may not necessarily reflect official Agency policy.
NR 50
TC 12
Z9 12
U1 1
U2 21
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2014
VL 14
IS 15
BP 7693
EP 7703
DI 10.5194/acp-14-7693-2014
PG 11
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AO1VN
UT WOS:000341103600001
ER
PT J
AU Park, RJ
Hong, SK
Kwon, HA
Kim, S
Guenther, A
Woo, JH
Loughner, CP
AF Park, R. J.
Hong, S. K.
Kwon, H. -A.
Kim, S.
Guenther, A.
Woo, J. -H.
Loughner, C. P.
TI An evaluation of ozone dry deposition simulations in East Asia
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID PART I; NORTHERN THAILAND; MODELING SYSTEM; TROPICAL FOREST; CHESAPEAKE
BAY; SURFACE; CHEMISTRY; PARAMETERIZATION; ALGORITHMS; EMISSIONS
AB We use a 3-D regional atmospheric chemistry transport model (WRF-Chem) to examine ozone dry deposition in East Asia, which is an important but uncertain research area because of insufficient observation and numerical studies focusing on East Asia. Here we compare two widely used dry deposition parameterization schemes, the Wesely and M3DRY schemes, which are used in the WRF-Chem and Community Multiscale Air Quality (CMAQ) models, respectively. Simulated ozone dry deposition velocities with the two schemes under identical meteorological conditions show considerable differences (a factor of 2) owing to surface resistance parameterization discrepancies. Resulting ozone concentrations differ by up to 10 ppbv for a monthly mean in May when the peak ozone typically occurs in East Asia. An evaluation of the simulated dry deposition velocities shows that the Wesely scheme calculates values with more pronounced diurnal variation than the M3DRY and results in a good agreement with the observations. However, we find significant changes in simulated ozone concentrations using the Wesely scheme but with different surface type data sets, indicating the high sensitivity of ozone deposition calculations to the input data. The need is high for observations to constrain the dry deposition parameterization and its input data to improve the use of air quality models for East Asia.
C1 [Park, R. J.; Hong, S. K.; Kwon, H. -A.] Seoul Natl Univ, Sch Earth & Environm Sci, Seoul, South Korea.
[Kim, S.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA USA.
[Guenther, A.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Woo, J. -H.] Konkuk Univ, Dept Environm Engn, Seoul, South Korea.
[Loughner, C. P.] Univ Maryland, CMNS Earth Syst Sci Interdisciplinary Ctr, College Pk, MD 20742 USA.
RP Park, RJ (reprint author), Seoul Natl Univ, Sch Earth & Environm Sci, Seoul, South Korea.
EM rjpark@snu.ac.kr
RI Kim, Saewung/E-4089-2012; Guenther, Alex/B-1617-2008; Park,
Rokjin/I-5055-2012
OI Loughner, Christopher/0000-0002-3833-2014; Guenther,
Alex/0000-0001-6283-8288; Park, Rokjin/0000-0001-8922-0234
FU Korea Meteorological Administration Research and Development Program
[CATER 2012-6121]; National Research Foundation of Korea (NRF) - Korean
government (MISP) [2009-83527]; National Science Foundation
FX This study was supported by the Korea Meteorological Administration
Research and Development Program under the Grant CATER 2012-6121 and the
National Research Foundation of Korea (NRF) grant funded by the Korean
government (MISP) (2009-83527). The National Center for Atmospheric
Research is operated by the University Corporation for Atmospheric
Research under sponsorship from the National Science Foundation. Any
opinions, findings and conclusions or recommendations expressed in this
publication are those of the authors and do not necessarily reflect the
views of the National Science Foundation.
NR 46
TC 5
Z9 6
U1 0
U2 14
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 2014
VL 14
IS 15
BP 7929
EP 7940
DI 10.5194/acp-14-7929-2014
PG 12
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AO1VN
UT WOS:000341103600018
ER
PT J
AU Roldin, P
Eriksson, AC
Nordin, EZ
Hermansson, E
Mogensen, D
Rusanen, A
Boy, M
Swietlicki, E
Svenningsson, B
Zelenyuk, A
Pagels, J
AF Roldin, P.
Eriksson, A. C.
Nordin, E. Z.
Hermansson, E.
Mogensen, D.
Rusanen, A.
Boy, M.
Swietlicki, E.
Svenningsson, B.
Zelenyuk, A.
Pagels, J.
TI Modelling non-equilibrium secondary organic aerosol formation and
evaporation with the aerosol dynamics, gas- and particle-phase chemistry
kinetic multilayer model ADCHAM
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID ENVIRONMENTAL CHAMBER DATA; MASTER CHEMICAL MECHANISM; VAPOR-PRESSURE
ESTIMATION; ALPHA-PINENE OZONOLYSIS; CLOUD SURFACE-CHEMISTRY; MCM V3
PART; TROPOSPHERIC DEGRADATION; AROMATIC-HYDROCARBONS; OLEIC-ACID;
BIOGENIC HYDROCARBONS
AB We have developed the novel Aerosol Dynamics, gas- and particle-phase chemistry model for laboratory CHAMber studies (ADCHAM). The model combines the detailed gas-phase Master Chemical Mechanism version 3.2 (MCMv3.2), an aerosol dynamics and particle-phase chemistry module (which considers acid-catalysed oligomerization, heterogeneous oxidation reactions in the particle phase and non-ideal interactions between organic compounds, water and inorganic ions) and a kinetic multilayer module for diffusion-limited transport of compounds between the gas phase, particle surface and particle bulk phase. In this article we describe and use ADCHAM to study (1) the evaporation of liquid dioctyl phthalate (DOP) particles, (2) the slow and almost particle-size-independent evaporation of alpha-pinene ozonolysis secondary organic aerosol (SOA) particles, (3) the mass-transfer-limited uptake of ammonia (NH3) and formation of organic salts between ammonium (NH4+) and carboxylic acids (RCOOH), and (4) the influence of chamber wall effects on the observed SOA formation in smog chambers.
ADCHAM is able to capture the observed alpha-pinene SOA mass increase in the presence of NH3(g). Organic salts of ammonium and carboxylic acids predominantly form during the early stage of SOA formation. In the smog chamber experiments, these salts contribute substantially to the initial growth of the homogeneously nucleated particles.
The model simulations of evaporating alpha-pinene SOA particles support the recent experimental findings that these particles have a semi-solid tar-like amorphous-phase state. ADCHAM is able to reproduce the main features of the observed slow evaporation rates if the concentration of low-volatility and viscous oligomerized SOA material at the particle surface increases upon evaporation. The evaporation rate is mainly governed by the reversible decomposition of oligomers back to monomers.
Finally, we demonstrate that the mass-transfer-limited uptake of condensable organic compounds onto wall-deposited particles or directly onto the Teflon chamber walls of smog chambers can have a profound influence on the observed SOA formation. During the early stage of the SOA formation the wall-deposited particles and walls themselves serve as an SOA sink from the air to the walls. However, at the end of smog chamber experiments the semi-volatile SOA material may start to evaporate from the chamber walls.
With these four model applications, we demonstrate that several poorly quantified processes (i.e. mass transport limitations within the particle phase, oligomerization, heterogeneous oxidation, organic salt formation, and chamber wall effects) can have a substantial influence on the SOA formation, lifetime, chemical and physical particle properties, and their evolution. In order to constrain the uncertainties related to these processes, future experiments are needed in which as many of the influential variables as possible are varied. ADCHAM can be a valuable model tool in the design and analysis of such experiments.
C1 [Roldin, P.; Eriksson, A. C.; Hermansson, E.; Swietlicki, E.; Svenningsson, B.] Lund Univ, Div Nucl Phys, S-22100 Lund, Sweden.
[Nordin, E. Z.; Pagels, J.] Lund Univ, S-22100 Lund, Sweden.
[Roldin, P.; Mogensen, D.; Rusanen, A.; Boy, M.] Univ Helsinki, Dept Phys, Helsinki 00014, Finland.
[Zelenyuk, A.] Pacific NW Natl Lab, Richland, WA 99354 USA.
RP Roldin, P (reprint author), Lund Univ, Div Nucl Phys, POB 118, S-22100 Lund, Sweden.
EM pontus.roldin@nuclear.lu.se
RI Swietlicki, Erik/B-9426-2014; Boy, Michael/C-2920-2015; Pagels,
Joakim/G-9118-2014;
OI Boy, Michael/0000-0002-8107-4524; Taipale, Ditte/0000-0002-2023-2461
FU strategic research area MERGE at Lund University; Swedish Research
Council for Environment, Agricultural Sciences and Spatial Planning
FORMAS [2007-1205, 2008-1467, 2009-615, 2010-1678]; Swedish Research
Council [2006-5940]; Metalund, the Centre for Medicine and Technology
for Working Life and Society, a competence centre at Lund University,
Sweden; US Department of Energy (DOE), Office of Science, Office of
Basic Energy Sciences (BES), Chemical Sciences, Geosciences, and
Biosciences Division; FAS, the Swedish Council for Working Life and
Social Research
FX This work was supported by the strategic research area MERGE at Lund
University; the Swedish Research Council for Environment, Agricultural
Sciences and Spatial Planning FORMAS through projects 2007-1205,
2008-1467, 2009-615 and 2010-1678; the Swedish Research Council through
project 2006-5940; and by Metalund, the Centre for Medicine and
Technology for Working Life and Society, a competence centre at Lund
University, Sweden, supported by FAS, the Swedish Council for Working
Life and Social Research. Support for A. Zelenyuk was provided by US
Department of Energy (DOE), Office of Science, Office of Basic Energy
Sciences (BES), Chemical Sciences, Geosciences, and Biosciences
Division.
NR 123
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U1 4
U2 53
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 2014
VL 14
IS 15
BP 7953
EP 7993
DI 10.5194/acp-14-7953-2014
PG 41
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AO1VN
UT WOS:000341103600020
ER
PT J
AU Fisher, JB
Sikka, M
Oechel, WC
Huntzinger, DN
Melton, JR
Koven, CD
Ahlstrom, A
Arain, MA
Baker, I
Chen, JM
Ciais, P
Davidson, C
Dietze, M
El-Masri, B
Hayes, D
Huntingford, C
Jain, AK
Levy, PE
Lomas, MR
Poulter, B
Price, D
Sahoo, AK
Schaefer, K
Tian, H
Tomelleri, E
Verbeeck, H
Viovy, N
Wania, R
Zeng, N
Miller, CE
AF Fisher, J. B.
Sikka, M.
Oechel, W. C.
Huntzinger, D. N.
Melton, J. R.
Koven, C. D.
Ahlstrom, A.
Arain, M. A.
Baker, I.
Chen, J. M.
Ciais, P.
Davidson, C.
Dietze, M.
El-Masri, B.
Hayes, D.
Huntingford, C.
Jain, A. K.
Levy, P. E.
Lomas, M. R.
Poulter, B.
Price, D.
Sahoo, A. K.
Schaefer, K.
Tian, H.
Tomelleri, E.
Verbeeck, H.
Viovy, N.
Wania, R.
Zeng, N.
Miller, C. E.
TI Carbon cycle uncertainty in the Alaskan Arctic
SO BIOGEOSCIENCES
LA English
DT Article
ID COMPARISON PROJECT WETCHIMP; GLOBAL VEGETATION MODEL; CLIMATE-CHANGE;
PERMAFROST CARBON; ATMOSPHERIC INVERSIONS; TERRESTRIAL BIOSPHERE; TUNDRA
ECOSYSTEMS; METHANE EMISSIONS; WETLAND EXTENT; PRESENT STATE
AB Climate change is leading to a disproportionately large warming in the high northern latitudes, but the magnitude and sign of the future carbon balance of the Arctic are highly uncertain. Using 40 terrestrial biosphere models for the Alaskan Arctic from four recent model intercomparison projects - NACP (North American Carbon Program) site and regional syntheses, TRENDY (Trends in net land atmosphere carbon exchanges), and WETCHIMP (Wetland and Wetland CH4 Inter-comparison of Models Project) - we provide a baseline of terrestrial carbon cycle uncertainty, defined as the multi-model standard deviation (sigma) for each quantity that follows. Mean annual absolute uncertainty was largest for soil carbon (14.0+/-9.2 kgCm(-2)), then gross primary production (GPP) (0.22+/-0.50 kgCm(-2) yr(-1)), ecosystem respiration (Re) (0.23+/-0.38 kgCm(-2) yr(-1)), net primary production (NPP) (0.14+/-0.33 kgCm(-2) yr(-1)), autotrophic respiration (Ra) (0.09+/-0.20 kgCm(-2) yr(-1)), heterotrophic respiration (Rh) (0.14+/-0.20 kgCm(-2) yr(-1)), net ecosystem exchange (NEE) (-0.01+/-0.19 kgCm(-2) yr(-1)), and CH4 flux (2.52+/-4.02 g CH4 m(-2) yr(-1)). There were no consistent spatial patterns in the larger Alaskan Arctic and boreal regional carbon stocks and fluxes, with some models showing NEE for Alaska as a strong carbon sink, others as a strong carbon source, while still others as carbon neutral. Finally, AmeriFlux data are used at two sites in the Alaskan Arctic to evaluate the regional patterns; observed seasonal NEE was captured within multi-model uncertainty. This assessment of carbon cycle uncertainties may be used as a baseline for the improvement of experimental and modeling activities, as well as a reference for future trajectories in carbon cycling with climate change in the Alaskan Arctic and larger boreal region.
C1 [Fisher, J. B.; Sikka, M.; Miller, C. E.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA.
[Oechel, W. C.] San Diego State Univ, Dept Biol, Global Change Res Grp, San Diego, CA 92182 USA.
[Oechel, W. C.] Open Univ, Dept Environm Earth & Ecosyst, Milton Keynes MK7 6AA, Bucks, England.
[Huntzinger, D. N.] Univ Arizona, Sch Earth Sci & Environm Sustainabil, Flagstaff, AZ 86011 USA.
[Melton, J. R.] Environm Canada, Canadian Ctr Climate Modelling & Anal, Victoria, BC V8W 2Y2, Canada.
[Koven, C. D.] Lawrence Berkeley Natl Lab, Earth Sci Div, Berkeley, CA 94708 USA.
[Ahlstrom, A.] Lund Univ, Dept Phys Geog & Ecosyst Sci, S-22362 Lund, Sweden.
[Arain, M. A.] McMaster Univ, Sch Geog Earth Sci, Hamilton, ON, Canada.
[Arain, M. A.] McMaster Univ, McMaster Ctr Climate Change, Hamilton, ON, Canada.
[Baker, I.] Colorado State Univ, Dept Atmospher Sci, Ft Collins, CO 80523 USA.
[Chen, J. M.] Univ Toronto, Dept Geog, Toronto, ON M5S 3G3, Canada.
[Ciais, P.; Poulter, B.; Viovy, N.] Orme Merisiers, Lab Sci Climat & Environm, F-91191 Gif Sur Yvette, France.
[Davidson, C.] Univ Illinois, Program Ecol Evolut & Conservat Biol, Urbana, IL 61801 USA.
[Dietze, M.] Boston Univ, Dept Earth & Environm, Boston, MA 02215 USA.
[El-Masri, B.; Jain, A. K.] Univ Illinois, Dept Atmospher Sci, Urbana, IL 61801 USA.
[Hayes, D.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA.
[Hayes, D.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
[Huntingford, C.] Ctr Ecol & Hydrol, Wallingford OX10 8BB, Oxon, England.
[Levy, P. E.] Ctr Ecol & Hydrol, Penicuik EH26 0QB, Midlothian, Scotland.
[Lomas, M. R.] Univ Sheffield, Dept Anim & Plant Sci, Ctr Terr Carbon Dynam, Sheffield S10 2TN, S Yorkshire, England.
[Price, D.] Nat Resources Canada, No Forestry Ctr, Edmonton, AB T6H 3S5, Canada.
[Sahoo, A. K.] Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA.
[Schaefer, K.] Univ Colorado, Cooperat Inst Res Environm Sci, Natl Snow & Ice Data Ctr, Boulder, CO 80309 USA.
[Tian, H.] Auburn Univ, Sch Forestry & Wildlife Sci, Auburn, AL 36849 USA.
[Tomelleri, E.] Max Planck Inst Biogeochem, Biogeochem Model Data Integrat Grp, D-07745 Jena, Germany.
[Verbeeck, H.] Univ Ghent, Fac Biosci Engn, Lab Plant Ecol, B-9000 Ghent, Belgium.
[Wania, R.] Univ Montpellier 2, CNRS, Inst Sci Evolut UMR5554, F-34090 Montpellier, France.
[Zeng, N.] Univ Maryland, Dept Atmospher & Ocean Sci, College Pk, MD 20742 USA.
RP Fisher, JB (reprint author), CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA.
EM jbfisher@jpl.nasa.gov
RI Huntingford, Chris/A-4307-2008; Dietze, Michael/A-5834-2009; Tian,
Hanqin/A-6484-2012; Koven, Charles/N-8888-2014; Jain, Atul/D-2851-2016;
Ahlstrom, Anders/F-3215-2017;
OI Huntingford, Chris/0000-0002-5941-7770; Fisher,
Joshua/0000-0003-4734-9085; Poulter, Benjamin/0000-0002-9493-8600;
Dietze, Michael/0000-0002-2324-2518; Tian, Hanqin/0000-0002-1806-4091;
Koven, Charles/0000-0002-3367-0065; Jain, Atul/0000-0002-4051-3228;
Ahlstrom, Anders/0000-0003-1642-0037; Melton, Joe/0000-0002-9414-064X
FU National Aeronautics and Space Administration; US Department of Energy
(Terrestrial Ecosystems Program); NSF by the Office of Polar Programs;
Division of Environmental Biology; UK NERC ARCC (Arctic Responses to a
Changing Climate) programme; NSERC Visiting Postdoctoral Fellowship
FX Part of the research described in this paper was performed for the
Carbon in Arctic Reservoirs Vulnerability Experiment (CARVE), an Earth
Ventures (EV-1) investigation by the Jet Propulsion Laboratory,
California Institute of Technology, under a contract with the National
Aeronautics and Space Administration. This work also supports the NASA
Arctic-Boreal Vulnerability Experiment (ABoVE) and the NASA Terrestrial
Ecology Program. Funding for W. C. O. was provided by the US Department
of Energy (Terrestrial Ecosystems Program) and NSF by the Office of
Polar Programs and the Division of Environmental Biology. Funding for C.
H. was provided by the UK NERC ARCC (Arctic Responses to a Changing
Climate) programme. J. R. M. was supported by a NSERC Visiting
Postdoctoral Fellowship. R. Grant, F. Hoffman, S. Levis, J. Randerson,
D. Ricciuto, G. van der Werf, E. Weng, and S. Zaehle provided model
output for ecosys, CLM-CASA, CLM4-CN, CASA-TRANSCOM, LoTEC, CASA-GFED,
TECO, and O-CN, respectively. P. Thornton and S. Sitch helped coordinate
the NACP site and TRENDY syntheses, respectively. We thank D. McGuire
and anonymous reviewers for comments on the manuscript. Copyright 2014
California Institute of Technology. Government sponsorship acknowledged.
NR 98
TC 9
Z9 9
U1 3
U2 93
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
EI 1726-4189
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2014
VL 11
IS 15
BP 4271
EP 4288
DI 10.5194/bg-11-4271-2014
PG 18
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA AO1VU
UT WOS:000341104400015
ER
PT J
AU Zhang, P
Bounoua, L
Imhoff, ML
Wolfe, RE
Thome, K
AF Zhang, Ping
Bounoua, Lahouari
Imhoff, Marc L.
Wolfe, Robert E.
Thome, Kurtis
TI Comparison of MODIS Land Surface Temperature and Air Temperature over
the Continental USA Meteorological Stations
SO CANADIAN JOURNAL OF REMOTE SENSING
LA English
DT Article
ID URBAN HEAT-ISLAND; UNITED-STATES; PRODUCTS; CITY; VALIDATION; CLIMATE;
GROWTH; AREA
AB The National Land Cover Database (NLCD) Impervious Surface Area (ISA) and MODIS Land Surface Temperature (LST) are used in a spatial analysis to assess the surface-temperature-based urban heat island's (UHIS) signature on LST amplitude over the continental USA and to make comparisons to local air temperatures. Air-temperature-based UHIs (UHIA), calculated using the Global Historical Climatology Network (GHCN) daily air temperatures, are compared with UHIS for urban areas in different biomes during different seasons. NLCD ISA is used to define urban and rural temperatures and to stratify the sampling for LST and air temperatures.
We find that the MODIS LST agrees well with observed air temperature during the nighttime, but tends to overestimate it during the daytime, especially during summer and in nonforested areas. The minimum air temperature analyses show that UHIs in forests have an average UHIA of 1 degrees C during the summer. The UHIS, calculated from nighttime LST, has similar magnitude of 1-2 degrees C. By contrast, the LSTs show a midday summer UHIS of 3-4 degrees C for cities in forests, whereas the average summer UHIA calculated from maximum air temperature is close to 0 degrees C. In addition, the LSTs and air temperatures difference between 2006 and 2011 are in agreement, albeit with different magnitude.
C1 [Zhang, Ping; Bounoua, Lahouari; Thome, Kurtis] NASA, Goddard Space Flight Ctr, Biospher Sci Lab, Greenbelt, MD 20771 USA.
[Zhang, Ping] Univ Maryland, Earth Syst Sci Interdisciplinary Ctr, College Pk, MD 20740 USA.
[Imhoff, Marc L.] Joint Global Change Res Inst, PNNL, College Pk, MD 20740 USA.
[Wolfe, Robert E.] NASA, Goddard Space Flight Ctr, Terr Informat Syst Lab, Greenbelt, MD 20771 USA.
RP Zhang, P (reprint author), NASA, Goddard Space Flight Ctr, Biospher Sci Lab, Code 618, Greenbelt, MD 20771 USA.
EM Ping.Zhang@nasa.gov
RI Wolfe, Robert/E-1485-2012; Thome, Kurtis/D-7251-2012
OI Wolfe, Robert/0000-0002-0915-1855;
NR 32
TC 6
Z9 6
U1 2
U2 21
PU CANADIAN AERONAUTICS & SPACE INST
PI KANATA
PA 350 TERRY FOX DR, STE 104, KANATA, ON K2K 2W5, CANADA
SN 0703-8992
EI 1712-7971
J9 CAN J REMOTE SENS
JI Can. J. Remote Sens.
PY 2014
VL 40
IS 2
BP 110
EP 122
DI 10.1080/07038992.2014.935934
PG 13
WC Remote Sensing
SC Remote Sensing
GA AO0TM
UT WOS:000341025200004
ER
PT J
AU Lewis, EA
Haigh, SJ
Slater, TJA
He, Z
Kulzick, MA
Burke, MG
Zaluzec, NJ
AF Lewis, Edward A.
Haigh, Sarah J.
Slater, Thomas J. A.
He, Zheyang
Kulzick, Matthew A.
Burke, M. Grace
Zaluzec, Nestor J.
TI Real-time imaging and local elemental analysis of nanostructures in
liquids
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID IN-SITU; ELECTRON-MICROSCOPE; ATOMIC-RESOLUTION; GROWTH; NANOPARTICLES;
CELLS; HETEROSTRUCTURES; SPECTROSCOPY; PARTICLES; TEM
AB A new design of in situ liquid cells is demonstrated, providing the first nanometer resolution elemental mapping of nanostructures in solution. The technique has been applied to investigate dynamic liquid-phase synthesis of core-shell nanostructures and to simultaneously image the compositional distribution for multiple elements within the resulting materials.
C1 [Lewis, Edward A.; Haigh, Sarah J.; Slater, Thomas J. A.; He, Zheyang; Burke, M. Grace; Zaluzec, Nestor J.] Univ Manchester, Mat Performance Ctr, Manchester, Lancs, England.
[Lewis, Edward A.; Haigh, Sarah J.; Slater, Thomas J. A.; He, Zheyang; Burke, M. Grace; Zaluzec, Nestor J.] Univ Manchester, Elect Microscopy Ctr, Sch Mat, Manchester, Lancs, England.
[Kulzick, Matthew A.] BP Corp Res Ctr, Naperville, IL USA.
[Zaluzec, Nestor J.] Argonne Natl Lab, Elect Microscopy Ctr, Argonne, IL 60439 USA.
RP Haigh, SJ (reprint author), Univ Manchester, Mat Performance Ctr, Manchester, Lancs, England.
EM sarah.haigh@manchester.ac.uk; zaluzec@aaem.amc.anl.gov
RI Slater, Thomas/B-8482-2013; Haigh, Sarah/D-1309-2014
OI Slater, Thomas/0000-0003-0372-1551; Haigh, Sarah/0000-0001-5509-6706
FU Engineering and Physical Sciences Research Council (EPSRC) UK Grants
[EP/G035954/1, EP/J021172/1]; Defense Threat Reduction Agency grant
[HDTRA1-12-1-0013]; BP DRL Innovation Fund; US DoE, Office of Basic
Energy Sciences [DE-AC02-06CH11357]; HM Government (UK)
FX The authors are grateful to Professor P. Camargo of the University of
Sao Paulo who designed and synthesised the Pd-CNTs used in this work. We
would like to thank David Pollard for the diagram used in Fig. 1a. This
work was supported by multiple research grants including: the
Engineering and Physical Sciences Research Council (EPSRC) UK Grants #
EP/G035954/1 and EP/J021172/1 and Defense Threat Reduction Agency grant
HDTRA1-12-1-0013, the BP 2013 DRL Innovation Fund, the US DoE, Office of
Basic Energy Sciences under Contract No. DE-AC02-06CH11357 at the
Electron Microscopy Center of Argonne National Laboratory. The FEI Titan
G2 80-200 200S/TEM is associated with research capability of the Nuclear
Advanced Manufacturing Research Centre at the School of Materials,
University of Manchester, UK with funding provided by HM Government
(UK).
NR 32
TC 13
Z9 13
U1 6
U2 46
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 2014
VL 50
IS 70
BP 10019
EP 10022
DI 10.1039/c4cc02743d
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA AN6MC
UT WOS:000340707600003
PM 24831648
ER
PT J
AU Nijem, N
Bluhm, H
Ng, ML
Kunz, M
Leone, SR
Gilles, MK
AF Nijem, Nour
Bluhm, Hendrik
Ng, May L.
Kunz, Martin
Leone, Stephen R.
Gilles, Mary K.
TI Cu1+ in HKUST-1: selective gas adsorption in the presence of water
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; MOLECULAR-HYDROGEN; NITRIC-OXIDE; CO2; SITES;
SPECTROSCOPY; STABILITY; STORAGE; GROWTH; MOFS
AB Spectroscopic evidence for an enhanced binding of Nitric Oxide (NO) to metal centers with lower oxidation states (open Cu1+ sites) in Cu-3(btc)(2) (HKUST-1) is presented. The Cu1+ sites created by thermal treatment or X-ray exposure exhibit a preferential adsorption of NO compared to H2O. This phenomenon demonstrates the potential use of MOFs with lower oxidation state metal centers for selective gas separation.
C1 [Nijem, Nour; Leone, Stephen R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Nijem, Nour; Leone, Stephen R.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Bluhm, Hendrik; Ng, May L.; Kunz, Martin; Gilles, Mary K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Ng, May L.] SLAC Natl Accelerator Lab, SUNCAT Ctr Interface Sci & Catalysis, Menlo Pk, CA 94025 USA.
[Leone, Stephen R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Nijem, N (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM nour.nijem@yahoo.com
FU Laboratory Directed Research and Development at Lawrence Berkeley
National Laboratory; U. S. Department of Energy, Office of Science,
Office of Basic Energy Sciences, Chemical Sciences, Geosciences and
Biosciences Division at Lawrence Berkeley National Laboratory
[DE-AC02-05CH11231]; ALS through Condensed Phase and Interfacial
Molecular Science Program of DOE; NSF [0416243]; Office of the Secretary
of Defense National Security Science and Engineering Faculty Fellowship
FX This work was supported by the Laboratory Directed Research and
Development at Lawrence Berkeley National Laboratory; the Advanced Light
Source (ALS) is supported by the U. S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences
and Biosciences Division at Lawrence Berkeley National Laboratory under
Contract No. DE-AC02-05CH11231. M. K. G., H. B., and beamline 11.0.2 at
the ALS are supported through the Condensed Phase and Interfacial
Molecular Science Program of DOE. The micro-diffraction program at the
ALS on BL 12.3.2 was made possible by NSF Grant No. 0416243. N. N. and
S. R. L. were supported by the Office of the Secretary of Defense
National Security Science and Engineering Faculty Fellowship.
NR 49
TC 10
Z9 11
U1 4
U2 90
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 2014
VL 50
IS 70
BP 10144
EP 10147
DI 10.1039/c4cc02327g
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA AN6MC
UT WOS:000340707600037
PM 25052057
ER
PT J
AU Runnerstrom, EL
Llordes, A
Lounis, SD
Milliron, DJ
AF Runnerstrom, Evan L.
Llordes, Anna
Lounis, Sebastien D.
Milliron, Delia J.
TI Nanostructured electrochromic smart windows: traditional materials and
NIR-selective plasmonic nanocrystals
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID METAL-OXIDE NANOCRYSTALS; DOPED SEMICONDUCTOR NANOCRYSTALS; TUNABLE
INFRARED-ABSORPTION; TIN-DIOXIDE ELECTRODES; TUNGSTEN-OXIDE; THIN-FILMS;
COLLOIDAL NANOCRYSTALS; ELECTRICAL-PROPERTIES; QUANTUM DOTS; GOLD
NANOPARTICLES
AB Electrochromic devices, which dynamically change colour under applied potential, are widely studied for use in energy-efficient smart windows. To improve the viability of smart windows, many researchers are utilizing nanomaterials, which can provide electrochromic devices with improved colouration efficiencies, faster switching times, longer cycle lives, and potentially reduced costs. In an effort to demonstrate a new type of electrochromic device that goes beyond the capabilities of commonly used electrochromic materials, researchers have turned to plasmonic transparent conductive oxide (TCO) nanocrystals. Electrochemical injection of electrons into plasmonic TCO nanocrystal films induces a shift in the plasmon frequency and gives rise to the new functionality of selective optical modulation in the near-infrared region of the solar spectrum. These nanocrystals can be used as building blocks to enable creation of advanced electrochromic devices containing mesoporous electrodes or nanocrystal-in-glass composites. Such devices have been important in advancing the field towards achieving the ideal smart window with independent control over visible and NIR transmittance.
C1 [Runnerstrom, Evan L.; Llordes, Anna; Lounis, Sebastien D.; Milliron, Delia J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Runnerstrom, Evan L.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Lounis, Sebastien D.] Univ Calif Berkeley, Grad Grp Appl Sci & Technol, Berkeley, CA 94720 USA.
[Milliron, Delia J.] Univ Texas Austin, Dept Chem Engn, Austin, TX 78712 USA.
RP Milliron, DJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
EM milliron@che.texas.edu
RI Milliron, Delia/D-6002-2012; Llordes, Anna/H-2370-2015; Foundry,
Molecular/G-9968-2014
OI Llordes, Anna/0000-0003-4169-9156;
FU Office of Science, Office of Basic Energy Sciences, of the U. S.
Department of Energy ( DOE) [DE-AC02-05CH11231]; DOE Early Career
Research Program grant; ARPA-E
FX This work was performed at the Molecular Foundry, Lawrence Berkeley
National Laboratory, and was supported by the Office of Science, Office
of Basic Energy Sciences, of the U. S. Department of Energy ( DOE) under
Contract No. DE-AC02-05CH11231. S. D. L. and D.J.M. were supported by a
DOE Early Career Research Program grant, while E. L. R. and A. L. were
supported by ARPA-E, all under the same contract.
NR 93
TC 59
Z9 61
U1 28
U2 202
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 2014
VL 50
IS 73
BP 10555
EP 10572
DI 10.1039/c4cc03109a
PG 18
WC Chemistry, Multidisciplinary
SC Chemistry
GA AN9BC
UT WOS:000340899500002
PM 24935022
ER
PT J
AU Seel, AG
Zurek, E
Ramirez-Cuesta, AJ
Ryan, KR
Lodge, MTJ
Edwards, PP
AF Seel, A. G.
Zurek, E.
Ramirez-Cuesta, A. J.
Ryan, K. R.
Lodge, M. T. J.
Edwards, P. P.
TI Low energy structural dynamics and constrained libration of Li(NH3)(4),
the lowest melting point metal
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID DENSITY-FUNCTIONAL THEORY
AB The lattice and molecular dynamics for the solid phases of the lowest melting-point metal, Li(NH3)(4), are determined by incoherent inelastic neutron scattering. Measurements of internal molecular displacements and distortions of the Li(NH3)(4) units have been modelled and assigned using density functional theory calculations for the solid and molecular system. Inelastic neutron scattering measurement allow for the first determination of NH3 librational transitions.
C1 [Seel, A. G.] Rutherford Appleton Lab, ISIS Spallat Neutron Source, Chilton OX11 0QX, England.
[Seel, A. G.; Ryan, K. R.; Lodge, M. T. J.; Edwards, P. P.] Univ Oxford, Dept Inorgan Chem, Oxford OX1 3QR, England.
[Zurek, E.] SUNY Buffalo, Dept Chem, Buffalo, NY 14260 USA.
[Ramirez-Cuesta, A. J.] Oak Ridge Natl Lab, Neutron Sci Directorate, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA.
RP Edwards, PP (reprint author), Univ Oxford, Dept Inorgan Chem, S Parks Rd, Oxford OX1 3QR, England.
EM peter.edwards@chem.ox.ac.uk
RI Zurek, Eva/J-4387-2012; Lodge, Matthew/C-2903-2008; Ramirez-Cuesta,
Timmy/A-4296-2010
OI Zurek, Eva/0000-0003-0738-867X; Ramirez-Cuesta,
Timmy/0000-0003-1231-0068
FU EPSRC [EP/K002561/1]; NSF [DMR-1005413]
FX AGS, KRR and PPE would like to thank the EPSRC for funding (grant
EP/K002561/1). Keith Refson is thanked for advise on calculation, and
the STFC are thanked for granting beamtime at the ISIS Spallation
Neutron Source and for access to the SCARF supercomputing cluster. EZ
acknowledges the NSF (DMR-1005413) for financial support and the Center
for Computational Research at SUNY Buffalo for computational support.
NR 23
TC 1
Z9 1
U1 2
U2 16
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 2014
VL 50
IS 74
BP 10778
EP 10781
DI 10.1039/c4cc03397c
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA AN9BG
UT WOS:000340900000004
PM 24988060
ER
PT J
AU Zhao, Z
Arentz, J
Pretzer, LA
Limpornpipat, P
Clomburg, JM
Gonzalez, R
Schweitzer, NM
Wu, TP
Miller, JT
Wong, MS
AF Zhao, Zhun
Arentz, Joni
Pretzer, Lori A.
Limpornpipat, Pongsak
Clomburg, James M.
Gonzalez, Ramon
Schweitzer, Neil M.
Wu, Tianpin
Miller, Jeffrey T.
Wong, Michael S.
TI Volcano-shape glycerol oxidation activity of palladium-decorated gold
nanoparticles
SO CHEMICAL SCIENCE
LA English
DT Article
ID LIQUID-PHASE OXIDATION; BIMETALLIC GOLD/PALLADIUM CATALYSTS; ENHANCED
RAMAN-SPECTROSCOPY; PLATINUM-BISMUTH CATALYST; SELECTIVE OXIDATION;
MOLECULAR-OXYGEN; METAL-CATALYSTS; PARTICLE-SIZE; TRICHLOROETHENE
HYDRODECHLORINATION; SUPPORTED PLATINUM
AB Bimetallic PdAu catalysts are more active than monometallic ones for the selective oxidation of alcohols, but the reasons for improvement remain insufficiently detailed. A metal-on-metal material can probe the structure-catalysis relationship more clearly than conventionally prepared bimetallics. In this study, Pd-on-Au nanoparticles with variable Pd surface coverages (sc%) ranging from 10 to 300 sc% were synthesized and immobilized onto carbon (Pd-on-Au/C). Tested for glycerol oxidation at 60 degrees C, pH 13.5, and 1 atm under flowing oxygen, the series of Pd-on-Au/C materials showed volcano-shape catalytic activity dependence on Pd surface coverage. Increasing surface coverage led to higher catalytic activity, such that initial turnover frequency (TOF) reached a maximum of similar to 6000 h(-1) at 80 sc%. Activity decreased above 80 sc% mostly due to catalyst deactivation. Pd-on-Au/C at 80 sc% was >10 times more active than monometallic Au/C and Pd/C, with both exhibiting TOF values less than similar to 500 h(-1). Glyceric acid was the dominant primary reaction product for all compositions, with its zero-conversion selectivity varying monotonically as a function of Pd surface coverage. Glyceric acid yield from Pd-on-Au/C (80 sc%) was 42%, almost double the yields from Au/C and Pd/C (16% and 22%, respectively). Ex situ X-ray absorption near edge structure analysis of two Pd-on-Au/C materials with comparable activities (60 sc% and 150 sc%) showed that the former had less oxidized Pd ensembles than the latter, and that both catalysts were less oxidized compared to Pd/C. That Au stabilizes the metallic state of surface Pd atoms may be responsible for activity enhancement observed in other PdAu-catalyzed oxidation reactions. Decorating a Au surface with Pd generates a catalyst that has the deactivation resistance of Au, the higher glyceric acid selectivity of Pd, and the synergistically higher activities that neither metal has.
C1 [Zhao, Zhun; Limpornpipat, Pongsak; Clomburg, James M.; Gonzalez, Ramon; Wong, Michael S.] Rice Univ, Dept Chem & Biomol Engn, Houston, TX 77005 USA.
[Arentz, Joni] Univ Groningen, Dept Chem Engn, NL-9700 AB Groningen, Netherlands.
[Pretzer, Lori A.; Wong, Michael S.] Rice Univ, Dept Chem, Houston, TX 77005 USA.
[Wong, Michael S.] Rice Univ, Dept Civil & Environm Engn, Houston, TX 77005 USA.
[Schweitzer, Neil M.; Wu, Tianpin; Miller, Jeffrey T.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Wong, Michael S.] Rice Univ, Dept Mat Sci & NanoEngn, Houston, TX 77005 USA.
RP Wong, MS (reprint author), Rice Univ, Dept Chem & Biomol Engn, 6100 S Main St, Houston, TX 77005 USA.
EM mswong@rice.edu
RI Wong, Michael/F-9286-2010; Zhao, Zhun/G-3007-2013
OI Wong, Michael/0000-0002-3652-3378; Zhao, Zhun/0000-0002-4577-5470
FU National Science Foundation [CBET-1134535, EEC-0813570]; Welch
Foundation [C-1676]; Sigma Xi [G20111015157503]; Rice University;
Institute for Atom-efficient Chemical Transformations (IACT), an Energy
Frontier Research Center - US Department of Energy, Office of Science,
Office of Basic Energy Sciences; U. S. Department of Energy, Office of
Science, and Office of Basic Energy Sciences [DE-AC02-06CH11357]
FX We acknowledge financial support from the National Science Foundation
(CBET-1134535), the Welch Foundation (C-1676), Sigma Xi Grants-in-Aid of
Research (GIAR) program (G20111015157503), and Rice University. JTM was
supported by the National Science Foundation (EEC-0813570) and as part
of the Institute for Atom-efficient Chemical Transformations (IACT), an
Energy Frontier Research Center funded by the US Department of Energy,
Office of Science, Office of Basic Energy Sciences. We thank Prof. M. B.
Tomson for use of the inductively coupled plasma optical emission
spectrometer (ICP-OES), and Dr C. Yan for assistance. We also thank Mr
J. C. Velazquez for help in BET experiment and analysis, Drs S.
Gullapalli and Z. L. Schaefer for help in TEM imaging, and Drs K. N.
Heck, J. C. Forsythe, and H.-F. Qian for helpful discussions. Use of the
Advanced Photon Source was supported by the U. S. Department of Energy,
Office of Science, and Office of Basic Energy Sciences
(DE-AC02-06CH11357). MRCAT operations are supported by the Department of
Energy and MRCAT member institutions.
NR 77
TC 25
Z9 25
U1 4
U2 44
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 2014
VL 5
IS 10
BP 3715
EP 3728
DI 10.1039/c4sc01001a
PG 14
WC Chemistry, Multidisciplinary
SC Chemistry
GA AO2YS
UT WOS:000341195100004
ER
PT J
AU Shohami, E
Biegon, A
AF Shohami, Esther
Biegon, Anat
TI Novel Approach to the Role of NMDA Receptors in Traumatic Brain Injury
SO CNS & NEUROLOGICAL DISORDERS-DRUG TARGETS
LA English
DT Article
DE Cognitive enhancer; D-cycloserine; glutamate receptors; stroke
ID LONG-TERM POTENTIATION; AGONIST D-CYCLOSERINE; CLOSED-HEAD INJURY;
COUPLED GLYCINE RECEPTOR; FLUID PERCUSSION INJURY; EXCITATORY
AMINO-ACIDS; D-ASPARTATE RECEPTORS; ACUTE ISCHEMIC-STROKE;
CLINICAL-TRIALS; NEUROTROPHIC FACTOR
AB For more than two decades the intensive research effort on the role of NMDA receptors (NMDAR) in traumatic brain injury (TBI) and cerebral ischemia (stroke) was led by the observations that extracellular concentrations of glutamate and aspartate are elevated after the insult and play a major role in brain pathologies. Indeed, NMDAR antagonists were shown to improve post-injury recovery in animal models and subsequently, large scale placebo-controlled clinical trials in TBI and stroke were performed with NMDAR antagonists. However, all these trials have demonstrated either no benefit or even deleterious effects. The discrepancy between the animal and human studies prompted us to investigate the temporal changes of the NMDAR after brain insult in TBI and stroke mouse models. We found that the early hyperactivation of the NMDAR is followed by loss of functional NMDAR which persists for weeks. Such dynamic changes could well explain the discrepancies between the preclinical and clinical experience as well as suggest alternative modes of treatment, namely, activation, rather than blockade of the NMDAR in the sub-acute period after TBI and stroke. Stimulation of the glycine modulatory site of the glycine/NMDAR by the partial agonist D-cycloserine (DCS) when given at least 24 hrs after TBI or stroke was shown to improve recovery of neurobehavioral and cognitive functions. It was also shown to restore impaired hippocampal Long-Term potentiation (LTP) and induce expression of Brain Derived-Neurotrophic Factor (BDNF) in a TBI model and to improve somatosensory and cognitive function in a stroke model. Experiments to optimize the DCS treatment paradigm showed that similar benefits were demonstrated in TBI mice whether the drug was given as a single injection at 24 or 72 hrs post injury, or as double (24 and 48 hrs) or triple (24, 48 and 72 hrs) doses. Interestingly, beneficial effects of DCS were reported in a range of animal models of human diseases as well as in several clinical indications thought to involve disruptions in NMDAR function, such as drug addiction, post-traumatic stress disorder, Parkinson's disease, aging and psychiatric disorders. As DCS has a good safety profile, and is already in use in humans in several different indications, and based on studies with DCS in the mouse TBI model, a multi-center prospective randomized controlled clinical trial, aiming to assess the effect of a single dose of DCS on cognitive outcome in patients with moderate TBI has recently begun.
C1 [Shohami, Esther] Hebrew Univ Jerusalem, Inst Drug Res, Dept Pharmacol, IL-91120 Jerusalem, Israel.
[Biegon, Anat] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA.
[Biegon, Anat] SUNY Stony Brook, Sch Med, Dept Neurol, Stony Brook, NY USA.
RP Shohami, E (reprint author), Hebrew Univ Jerusalem, Inst Drug Res, IL-91120 Jerusalem, Israel.
EM esty@cc.huji.ac.il
FU BSF [2005-021-01]; NIH [1R01NS050285]
FX Supported by grants from the BSF# 2005-021-01 and from the NIH
1R01NS050285.
NR 83
TC 14
Z9 14
U1 2
U2 10
PU BENTHAM SCIENCE PUBL LTD
PI SHARJAH
PA EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB
EMIRATES
SN 1871-5273
EI 1996-3181
J9 CNS NEUROL DISORD-DR
JI CNS Neurol. Disord.-Drug Targets
PY 2014
VL 13
IS 4
BP 567
EP 573
PG 7
WC Neurosciences; Pharmacology & Pharmacy
SC Neurosciences & Neurology; Pharmacology & Pharmacy
GA AN8EO
UT WOS:000340836200005
PM 24168367
ER
PT J
AU Hatcher, LE
Bigos, EJ
Bryant, MJ
MacCready, EM
Robinson, TP
Saunders, LK
Thomas, LH
Beavers, CM
Teat, SJ
Christensen, J
Raithby, PR
AF Hatcher, Lauren E.
Bigos, Edward J.
Bryant, Mathew J.
MacCready, Emily M.
Robinson, Thomas P.
Saunders, Lucy K.
Thomas, Lynne H.
Beavers, Christine M.
Teat, Simon J.
Christensen, Jeppe
Raithby, Paul R.
TI Thermal and photochemical control of nitro-nitrito linkage isomerism in
single-crystals of [Ni(medpt)(NO2)(eta(2)-ONO)]
SO CRYSTENGCOMM
LA English
DT Article
ID X-RAY-DIFFRACTION; CU(I) PHENANTHROLINE COMPLEX; 2+2 CYCLOADDITION
REACTIONS; TIME-RESOLVED DIFFRACTION; TRANSITION-METAL NITROSYL;
SULFUR-DIOXIDE COMPLEXES; PHOTOCRYSTALLOGRAPHIC IDENTIFICATION;
COUMARIN-3-CARBOXYLIC ACID; EXCITED-STATES; LIGHT
AB The known complex [Ni(medpt)(eta(1)-NO2)(eta(2)-ONO)] 1 (medpt = 3,3'-diamino-N-methyldipropylamine) crystallises in the monoclinic space group P2(1)/m with 1.5 molecules in the asymmetric unit with two different. eta(1)-NO2 ligand environments in the crystal structure. At 298 K the molecule (A) sitting in a general crystallographic site displays a mixture of isomers, 78% of the eta(1)-NO2 isomer and 22% of an endo-nitrito-(eta(1)-ONO) form. The molecule (B) sitting on a crystallographic mirror plane adopts the. eta(1)-NO2 isomeric form exclusively. However, a variable temperature crystallographic study showed that the two isomers were in equilibrium and upon cooling to 150 K the eta(1)-ONO isomer converted completely to the eta(1)-NO2 isomer, so that both independent molecules in the asymmetric unit were 100% in the. eta(1)-NO2 form. A kinetic analysis of the equilibrium afforded values of Delta H = -9.6 (+/- 0.4) kJ mol(-1), Delta S = -21.5 (+/- 1.8) J K-1 mol(-1) and E-A = 1.6 (+/- 0.05) kJ mol(-1). Photoirradiation of single crystals of 1 with 400 nm light, at 100 K, resulted in partial isomerisation of the eta(1)-NO2 isomer to the metastable eta(1)-ONO isomer, with 89% for molecule (A), and 32% for molecule (B). The crystallographic space group also reduced in symmetry to P2(1) with Z' = 3. The metastable state existed up to a temperature of 150 K above which temperature it reverted to the ground state. An analysis of the crystal packing in the ground and metastable states suggests that hydrogen bonding is responsible for the difference in the conversion between molecules (A) and (B).
C1 [Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Raithby, Paul R.] Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England.
[Beavers, Christine M.; Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Christensen, Jeppe; Raithby, Paul R.] Rutherford Appleton Lab, Res Complex Harwell, Didcot OX11 0FA, Oxon, England.
RP Hatcher, LE (reprint author), Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England.
EM p.r.raithby@bath.ac.uk
RI Raithby, Paul/N-7997-2014; Christensen, Jeppe/B-3019-2009; Beavers,
Christine/C-3539-2009; Thomas, Lynne/C-4612-2011; Bryant,
Mathew/J-2307-2016
OI Raithby, Paul/0000-0002-2944-0662; Beavers,
Christine/0000-0001-8653-5513; Thomas, Lynne/0000-0003-3325-9644;
Bryant, Mathew/0000-0001-8714-9761
FU EPSRC [EP/I01974X, EP/F021151, EP/K004956]; University of Bath; Diamond
Light Source Ltd; Office of Science, Office of Basic Energy Sciences, of
the U.S. Department of Energy [DE-AC02-05CH11231]; Consortium for
Materials Properties Research in Earth Sciences under NSF [EAR
11-57758]; [EP/G067759]
FX We are grateful to the EPSRC for financial support for the project
(EP/I01974X, EP/F021151 and EP/K004956) and for a studentship to T.P.R.
(EP/G067759). We acknowledge the support from University of Bath through
studentships for L.E.H. and M.J.B., and the Diamond Light Source Ltd for
a studentship to L.K.S. We would also like to thank the ALS, LBNL for
beamtime to perform the kinetic experiments. 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. Additional thanks goes to COMPRES, the Consortium for
Materials Properties Research in Earth Sciences under NSF Cooperation
Agreement EAR 11-57758.
NR 49
TC 2
Z9 2
U1 0
U2 29
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1466-8033
J9 CRYSTENGCOMM
JI Crystengcomm
PY 2014
VL 16
IS 35
BP 8263
EP 8271
DI 10.1039/c4ce00675e
PG 9
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA AN7CS
UT WOS:000340756900020
ER
PT S
AU de Castro, V
Briceno, M
Jenkins, ML
Kirk, M
Lozano-Perez, S
Roberts, SG
AF de Castro, V.
Briceno, M.
Jenkins, M. L.
Kirk, M.
Lozano-Perez, S.
Roberts, S. G.
BE Nellist, PD
TI In-situ Fe+ Ion Irradiation of an Oxide Dispersion Strengthened Steel
SO ELECTRON MICROSCOPY AND ANALYSIS GROUP CONFERENCE 2013 (EMAG2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT Conference of the Electron-Microscopy-and-Analysis-Group (EMAG)
CY SEP 03-06, 2013
CL York, ENGLAND
SP Electron Microscopy & Anal Grp
ID STRUCTURAL-MATERIALS
AB Oxide Dispersion Strengthened (ODS) reduced activation ferritic steels are promising candidate materials for structural components of both nuclear fission and fusion reactors. However, when irradiated with energetic particles, they may suffer changes on their microstructures that degrade their mechanical performance. In-situ transmission electron microscopy studies on ion-irradiated ODS steels can give remarkable insights into fundamental aspects of radiation damage allowing dynamic observations of defect formation, mobilities, and interactions during irradiation. In this investigation, a commercially available PM2000 ODS steel was in-situ irradiated with 150KeV Fe+ at room temperature and 700 degrees C. These experiments showed that the oxide nanoparticles in these steels remain stable up to the higher irradiation dose (similar to 1.5 dpa), and that these particles seem to be effective sinks for irradiation induced defects.
C1 [de Castro, V.] Univ Carlos III Madrid, Dept Fis, Leganes 28911, Spain.
[Briceno, M.; Jenkins, M. L.; Lozano-Perez, S.; Roberts, S. G.] Univ Oxford, Dept Mat, Oxford OX1 3PH, England.
[Kirk, M.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Briceno, M.] Johnson Matthey Technol Ctr, Reading RG4 9NH, Berks, England.
RP de Castro, V (reprint author), Univ Carlos III Madrid, Dept Fis, Leganes 28911, Spain.
EM vanessa.decastro@uc3m.es
OI Roberts, Steve/0000-0002-3578-2183; Lozano-Perez,
Sergio/0000-0003-3387-5973
FU EPSRC; Spanish Ministry of Science and Innovation [ENE2010- 17462]; EU
FP7 [2483 - ESTEEM2]; Royal Society International Exchanges Scheme
[2011/ R1]; US DOE Office of Science [DEAC02- 06CH11357]
FX This research has been funded by EPSRC under the Program Grant "
Materials for Fusion & Fission Power" EP/ H018921, the Spanish Ministry
of Science and Innovation ( project ENE2010- 17462), the EU FP7 under
Grant Agreement 312483 - ESTEEM2 ( Integrated Infrastructure Initiative-
I3) and the Royal Society International Exchanges Scheme 2011/ R1 ( ref.
IE110136). The IVEM- Tandem Facility at ANL is supported by the US DOE
Office of Science and operated under contract no. DEAC02- 06CH11357. The
authors thank Dr. Michael Klimenkov for providing the PM2000 steel used
for this investigation and Dr. Peter Baldo for providing scientific and
technological advice.
NR 10
TC 4
Z9 4
U1 0
U2 8
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 522
AR UNSP 012032
DI 10.1088/1742-6596/522/1/012032
PG 4
WC Microscopy; Physics, Applied
SC Microscopy; Physics
GA BB1CI
UT WOS:000340969200032
ER
PT J
AU Hakala, JA
AF Hakala, J. Alexandra
TI Use of stable isotopes to identify sources of methane in Appalachian
Basin shallow groundwaters: a review
SO ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS
LA English
DT Article
ID GAS EXTRACTION; ORIGIN; WELLS; GEOCHEMISTRY; PENNSYLVANIA; RESERVOIR;
FIELD
AB Development of unconventional shale gas reservoirs in the Appalachian Basin has raised questions regarding the potential for these activities to affect shallow groundwater resources. Geochemical indicators, such as stable carbon and hydrogen isotopes of methane, stable carbon isotopes of ethane, and hydrocarbon ratios, have been used to evaluate methane sources however their utility is complicated by influences from multiple physical (e.g., mixing) and geochemical (e.g., redox) processes. Baseline sampling of shallow aquifers prior to development, and measurement of additional geochemical indicators within samples from across the Appalachian Basin, may aid in identifying natural causes for dissolved methane in shallow groundwater versus development-induced pathways.
C1 Natl Energy Technol Lab, Off Res & Dev, Pittsburgh, PA 15236 USA.
RP Hakala, JA (reprint author), Natl Energy Technol Lab, Off Res & Dev, Pittsburgh, PA 15236 USA.
EM Alexandra.Hakala@netl.doe.gov
FU U.S. Department of Energy, Office of Fossil Energy, under the Office of
Oil and Natural Gas; agency of the United States Government
FX This work was supported by the U.S. Department of Energy, Office of
Fossil Energy, under the Office of Oil and Natural Gas (Energy Policy
Act of 2005, Section 999 Complementary Program Research). Disclaimer:
this report was prepared as an account of work sponsored by an agency of
the United States Government. Neither the United States Government nor
any agency thereof, nor any of their employees, makes any warranty,
express or implied, or assumes any legal liability of responsibility for
the accuracy, completeness, or usefulness of any information, apparatus,
product, or process disclosed, or represents that its use would not
infringe privately owned rights. Reference herein to any specific
commercial product, process, or service by trade name, trademark,
manufacturer, or otherwise does not necessarily constitute or imply its
endorsement, recommendation, or favoring by the United States Government
or any agency thereof. The views and opinions of authors expressed
herein do not necessarily state or reflect those of the United States
Government or any agency thereof.
NR 19
TC 2
Z9 2
U1 7
U2 37
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7887
EI 2050-7895
J9 ENVIRON SCI-PROC IMP
JI Environ. Sci.-Process Impacts
PY 2014
VL 16
IS 9
BP 2080
EP 2086
DI 10.1039/c4em00140k
PG 7
WC Chemistry, Analytical; Environmental Sciences
SC Chemistry; Environmental Sciences & Ecology
GA AO0QM
UT WOS:000341016000003
PM 25033440
ER
PT J
AU Magliano, JP
Radvansky, GA
Forsythe, JC
Copeland, DE
AF Magliano, Joseph P.
Radvansky, Gabriel A.
Forsythe, J. Christopher
Copeland, David E.
TI Event segmentation during first-person continuous events
SO JOURNAL OF COGNITIVE PSYCHOLOGY
LA English
DT Article
DE Continuous events; Event segmentation; First-person experiences
ID NARRATIVE COMPREHENSION; SITUATION MODELS; ONGOING BEHAVIOR; GOAL
INFERENCES; INDEXING MODEL; VERB-ASPECT; MEMORY; PERCEPTION; TEXT;
CONSTRUCTION
AB An important aspect of event cognition is the segmentation of activity into events. However, much of the research of event segmentation has involved materials that are very highly structured narratives or well-scripted everyday activities. The aim of the current work was to assess whether similar event segmentation would occur in first-person perspective events that were more continuous, weak in narrative structure, and less scripted. In this study, people viewed a series of videos of a first-person interactive environment and were asked to make event segmentation judgements. A content analysis of the videos was also done to compare with the event segmentation judgements. The data indicated that viewers monitored multiple dimensions of continuity when viewing the videos. Moreover, the perception of event boundaries was similar to research on narrative text and film, although there were some notable differences. Finally, there was evidence that viewers perceived a hierarchical structure of implicit goals such that shifts in the superordinate goals had a larger impact on event segmentation than subordinate goals. These data suggest that people construct event models for these sorts of events and speak to the generalisability of the event model construct to real-world experiences.
C1 [Magliano, Joseph P.] No Illinois Univ, Dept Psychol, De Kalb, IL 60115 USA.
[Radvansky, Gabriel A.] Univ Notre Dame, Dept Psychol, Notre Dame, IN 46556 USA.
[Forsythe, J. Christopher] Sandia Natl Labs, Albuquerque, NM 87123 USA.
[Copeland, David E.] Univ Nevada, Dept Psychol, Las Vegas, NV 89154 USA.
RP Magliano, JP (reprint author), No Illinois Univ, Dept Psychol, De Kalb, IL 60115 USA.
EM jmagliano@niu.edu
NR 74
TC 3
Z9 3
U1 8
U2 20
PU ROUTLEDGE JOURNALS, TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXFORDSHIRE, ENGLAND
SN 2044-5911
EI 2044-592X
J9 J COGN PSYCHOL
JI J. Cogn. Psychol.
PY 2014
VL 26
IS 6
BP 649
EP 661
DI 10.1080/20445911.2014.930042
PG 13
WC Psychology, Experimental
SC Psychology
GA AO2FV
UT WOS:000341133300003
ER
PT J
AU Saito, T
Brown, S
Chatterjee, S
Kim, J
Tsouris, C
Mayes, RT
Kuo, LJ
Gill, G
Oyola, Y
Janke, CJ
Dai, S
AF Saito, Tomonori
Brown, Suree
Chatterjee, Sabornie
Kim, Jungseung
Tsouris, Costas
Mayes, Richard T.
Kuo, Li-Jung
Gill, Gary
Oyola, Yatsandra
Janke, Christopher J.
Dai, Sheng
TI Uranium recovery from seawater: development of fiber adsorbents prepared
via atom-transfer radical polymerization
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID AMIDOXIME ADSORBENTS; METHACRYLIC-ACID; ADSORPTION; ACRYLONITRILE;
POLYETHYLENE; MEMBRANE; ELUTION; COPOLYMERS; CARBON
AB A novel adsorbent preparation method using atom-transfer radical polymerization (ATRP) combined with radiation-induced graft polymerization (RIGP) was developed to synthesize an adsorbent for uranium recovery from seawater. The ATRP method allowed a much higher degree of grafting on the adsorbent fibers (595-2818%) than that allowed by RIGP alone. The adsorbents were prepared with varied compositions of amidoxime groups and hydrophilic acrylate groups. The successful preparation revealed that both ligand density and hydrophilicity were critical for optimal performance of the adsorbents. Adsorbents synthesized in this study showed a relatively high performance (141-179 mg g(-1) at 49-62% adsorption) in laboratory screening tests using a uranium concentration of similar to 6 ppm. This performance is much higher than that of known commercial adsorbents. However, actual seawater experiment showed impeded performance compared to the recently reported high-surface-area-fiber adsorbents, due to slow adsorption kinetics. The impeded performance motivated the investigation of the effect of hydrophilic block addition on the graft chain terminus. The addition of a hydrophilic block on the graft chain terminus nearly doubled the uranium adsorption capacity in seawater, from 1.56 mg g(-1) to 3.02 mg g(-1). The investigation revealed the importance of polymer chain conformation, in addition to the ligand and hydrophilic group ratio, for advanced adsorbent synthesis for uranium recovery from seawater.
C1 [Saito, Tomonori; Chatterjee, Sabornie; Mayes, Richard T.; Oyola, Yatsandra; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Janke, Christopher J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Kim, Jungseung; Tsouris, Costas] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA.
[Brown, Suree; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Kuo, Li-Jung; Gill, Gary] Pacific NW Natl Lab, Marine Sci Lab, Sequim, WA 98382 USA.
RP Saito, T (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM saitot@ornl.gov
RI Tsouris, Costas/C-2544-2016; Saito, Tomonori/M-1735-2016; Dai,
Sheng/K-8411-2015; Janke, Christopher/E-1598-2017;
OI Tsouris, Costas/0000-0002-0522-1027; Saito,
Tomonori/0000-0002-4536-7530; Dai, Sheng/0000-0002-8046-3931; Janke,
Christopher/0000-0002-6076-7188; Mayes, Richard/0000-0002-7457-3261
FU US Department of Energy, Office of Nuclear Energy [DE-AC05-00OR22725];
Oak Ridge National Laboratory
FX This research 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. The JAEA adsorbent was kindly
donated for testing by the Japan Atomic Energy Agency.
NR 37
TC 39
Z9 40
U1 6
U2 68
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 2014
VL 2
IS 35
BP 14674
EP 14681
DI 10.1039/c4ta03276d
PG 8
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA AN7GV
UT WOS:000340768000046
ER
PT J
AU Abdulwahab, KO
Malik, MA
O'Brien, P
Timco, GA
Tuna, F
Winpenny, REP
Pattrick, RAD
Coker, VS
Arenholz, E
AF Abdulwahab, Khadijat O.
Malik, Mohammad A.
O'Brien, Paul
Timco, Grigore A.
Tuna, Floriana
Winpenny, Richard E. P.
Pattrick, Richard A. D.
Coker, Victoria S.
Arenholz, Elke
TI Hot injection thermolysis of heterometallic pivalate clusters for the
synthesis of monodisperse zinc and nickel ferrite nanoparticles
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID ONE-POT SYNTHESIS; MAGNETIC CIRCULAR-DICHROISM; 2P ABSORPTION-SPECTRA;
MRI CONTRAST AGENTS; HYDROTHERMAL SYNTHESIS; NIFE2O4 NANOPARTICLES;
OXIDE NANOPARTICLES; NI NANOPARTICLES; SITE OCCUPANCIES; COBALT FERRITE
AB The heterometallic pivalate clusters- [Zn4Fe2O2((O2CBu)-Bu-t)(10)] (1) and [Fe2NiO((O2CBu)-Bu-t)(6)((HO2CBu)-Bu-t)(3)] (2) have been used as single source precursors to synthesise monodispersed zinc ferrite (ZnFe2O4) and nickel ferrite (NiFe2O4) nanoparticles respectively. The precursors were thermolysed with a mixture of oleylamine and oleic acid in either diphenyl ether or benzyl ether as the solvent at their respective boiling points of 260 and 300 degrees C. The effect of reaction time, temperature and concentration (0.25 or 0.50 mmol) on the stoichiometry, the phase or morphology of the nanoparticles were studied. TEM showed that highly monodispersed spherical nanoparticles of zinc ferrite (3.2 +/- 0.2 nm) and nickel ferrite (3.3 +/- 0.2 nm) respectively were obtained from (1) and (2) using 0.50 mmol precursor concentration at 260 degrees C. The decomposition of the precursors at 0.25 mmol and 300 degrees C gave larger nanoparticles of zinc ferrite (5.6 +/- 0.5 nm) and nickel ferrite (5 +/- 0.6 nm) from (1) and (2) respectively. The effect of reaction time was investigated for both precursors at 0.25 mmol by withdrawing aliquots at 5 minutes, 15 minutes, 30 minutes, 1 hour and 2 hours. Aliquots withdrawn at reaction times of less than 1 hour contain traces of iron oxide whilst only pure cubic zinc or nickel ferrite was obtained after one hour. Magnetic measurements revealed that all the ferrite particles are superparamagnetic at room temperature with high saturation magnetisation values. XMCD confirmed that in nickel ferrite particles, most of the Ni2+ cations are in the octahedral site. The hysteresis loop observed on the zinc ferrite nanoparticles indicated that there is cation redistribution, this is further evident in the XMCD analysis and EPMA result.
C1 [Abdulwahab, Khadijat O.; Malik, Mohammad A.; O'Brien, Paul; Timco, Grigore A.; Tuna, Floriana; Winpenny, Richard E. P.] Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England.
[O'Brien, Paul] Univ Manchester, Sch Mat, Manchester M1 7HS, Lancs, England.
[Tuna, Floriana; Winpenny, Richard E. P.] Univ Manchester, Photon Sci Inst, Manchester M13 9PL, Lancs, England.
[Pattrick, Richard A. D.; Coker, Victoria S.] Univ Manchester, Sch Earth Atmospher & Environm Sci, Manchester M13 9PL, Lancs, England.
[Pattrick, Richard A. D.; Coker, Victoria S.] Univ Manchester, Williamson Res Ctr Mol Environm Sci, Manchester M13 9PL, Lancs, England.
[Arenholz, Elke] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP O'Brien, P (reprint author), Univ Manchester, Sch Chem, Oxford Rd, Manchester M13 9PL, Lancs, England.
EM paul.obrien@manchester.ac.uk
FU Islamic Development Bank, Saudi Arabia; Office of Science, Office of
Basic Energy Sciences, of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX K.O.A. gratefully acknowledges the financial support from the Islamic
Development Bank, Saudi Arabia. The XAS and XMCD were carried out at the
Advanced Light Source 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 60
TC 4
Z9 4
U1 4
U2 25
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 2014
VL 2
IS 33
BP 6781
EP 6789
DI 10.1039/c4tc00832d
PG 9
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA AN4WJ
UT WOS:000340589600012
ER
PT J
AU Thompson, CM
Kovnir, K
Garlea, VO
Choi, ES
Zhou, HD
Shatruk, M
AF Thompson, Corey M.
Kovnir, Kirill
Garlea, V. Ovidiu
Choi, Eun Sang
Zhou, H. D.
Shatruk, Michael
TI Unconventional magnetism in ThCr2Si2-type phosphides, La1-xNdxCo2P2
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID NEUTRON-DIFFRACTION; COBALT PHOSPHIDES; LACO2P2; CACO2P2; ORDER
AB Quaternary phases La1-xNdxCo2P2 (x = 0, 0.12, 0.25, 0.37, 0.50, 0.63, 0.75, 0.88, 1.0) have been synthesized from Sn flux to investigate the origins of drastic differences in properties between ferromagnetic LaCo2P2 and antiferromagnetic NdCo2P2. Powder and single-crystal X-ray diffraction indicate that all La1-xNdxCo2P2 samples are isostructural and crystallize in the ThCr2Si2 structure type. The unit cell parameters and volume change non-linearly with the Nd content (x), with the x < 0.50 samples being closer to LaCo2P2 and the ones with x > 0.50 being closer to NdCo2P2. These structural differences are also reflected in the magnetic behavior. The samples with lower Nd content are characterized by ferromagnetic ordering in the Co sublattice with the T-C increasing from 132 K for x = 0 to 262 K for x = 0.50, while the samples with higher Nd content exhibit suppressed magnetization in the Co sublattice and canted antiferromagnetic ordering with T-C similar to 270 K. Refinement of neutron powder diffraction patterns for x = 0.50 and 0.75 reveals a gradual ordering of the Nd 4f moments under the influence of Co 3d moments below 100 K. At low temperatures and zero field, these samples exhibit antiferromagnetic ordering of both Nd and Co magnetic moments, but under applied field they demonstrate the stabilization of a ferrimagnetic state with antiparallel alignment of the 4f and 3d moments, as indicated by isothermal magnetization measurements. The re-entrant ferrimagnetic transition is also observed in samples with x > 0.50 if the temperature is lowered below 5 K. The occurrence of this low-temperature magnetic transition was confirmed by alternating-current susceptibility measurements.
C1 [Thompson, Corey M.; Kovnir, Kirill; Shatruk, Michael] Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA.
[Garlea, V. Ovidiu] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA.
[Choi, Eun Sang; Zhou, H. D.; Shatruk, Michael] Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA.
RP Shatruk, M (reprint author), Florida State Univ, Dept Chem & Biochem, 95 Chieftan Way, Tallahassee, FL 32306 USA.
EM shatruk@chem.fsu.edu
RI Garlea, Vasile/A-4994-2016; Zhou, Haidong/O-4373-2016
OI Garlea, Vasile/0000-0002-5322-7271;
FU National Science Foundation CAREER Award [DMR-0955353]; Scientific User
Facilities Division, Office of Basic Energy Sciences, US Department of
Energy (DOE); NSF [DMR-1157490]; State of Florida; DOE
FX This research is supported by the National Science Foundation CAREER
Award (DMR-0955353). Work at the Oak Ridge National Laboratory was
sponsored by the Scientific User Facilities Division, Office of Basic
Energy Sciences, US Department of Energy (DOE). A portion of this work
was performed at the National High Magnetic Field Laboratory, which is
supported by NSF Cooperative Agreement no. DMR-1157490, by the State of
Florida, and by the DOE.
NR 20
TC 5
Z9 5
U1 0
U2 12
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 2014
VL 2
IS 36
BP 7561
EP 7569
DI 10.1039/c4tc00564c
PG 9
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA AO4IN
UT WOS:000341300800014
ER
PT J
AU Pekney, NJ
Veloski, G
Reeder, M
Tamilia, J
Rupp, E
Wetzel, A
AF Pekney, Natalie J.
Veloski, Garret
Reeder, Matthew
Tamilia, Joseph
Rupp, Erik
Wetzel, Alan
TI Measurement of atmospheric pollutants associated with oil and natural
gas exploration and production activity in Pennsylvania's Allegheny
National Forest
SO JOURNAL OF THE AIR & WASTE MANAGEMENT ASSOCIATION
LA English
DT Article
ID AIR-POLLUTION SOURCES; ORGANIC-COMPOUNDS; EMISSIONS; AEROSOL;
IDENTIFICATION; TROPOSPHERE; PITTSBURGH; HOUSTON; CARBON; ETHANE
AB Oil and natural gas exploration and production (E&P) activities generate emissions from diesel engines, compressor stations, condensate tanks, leaks and venting of natural gas, construction of well pads, and well access roads that can negatively impact air quality on both local and regional scales. A mobile, autonomous air quality monitoring laboratory was constructed to collect measurements of ambient concentrations of pollutants associated with oil and natural gas E&P activities. This air-monitoring laboratory was deployed to the Allegheny National Forest (ANF) in northwestern Pennsylvania for a campaign that resulted in the collection of approximately 7 months of data split between three monitoring locations between July 2010 and June 2011. The three monitoring locations were the Kane Experimental Forest (KEF) area in Elk County, which is downwind of the Sackett oilfield; the Bradford Ranger Station (BRS) in McKean County, which is downwind of a large area of historic oil and gas productivity; and the U.S. Forest Service Hearts Content campground (HC) in Warren County, which is in an area relatively unimpacted by oil and gas development and which therefore yielded background pollutant concentrations in the ANF. Concentrations of criteria pollutants ozone and NO2 did not vary significantly from site to site; averages were below National Ambient Air Quality Standards. Concentrations of volatile organic compounds (VOCs) associated with oil and natural gas (ethane, propane, butane, pentane) were highly correlated. Applying the conditional probability function (CPF) to the ethane data yielded most probable directions of the sources that were coincident with known location of existing wells and activity. Differences between the two impacted and one background site were difficult to discern, suggesting the that the monitoring laboratory was a great enough distance downwind of active areas to allow for sufficient dispersion with background air such that the localized plumes were not detected.
Implications: Monitoring of pollutants associated with oil and natural gas exploration and production activity at three sites within the Allegheny National Forest (ANF) showed only slight site-to-site differences even with one site far removed from these activities. However, the impact was evident not in detection of localized plumes but in regional elevated ethane concentrations, as ethane can be considered a tracer species for oil and natural gas activity. The data presented serve as baseline conditions for evaluation of impacts from future development of Marcellus or Utica shale gas reserves.
C1 [Pekney, Natalie J.; Veloski, Garret] US DOE, Natl Energy Technol Lab, Engn Nat Syst Div Monitoring Team, Pittsburgh, PA 15236 USA.
[Reeder, Matthew] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[Tamilia, Joseph] URS Corp, Pittsburgh, PA USA.
[Rupp, Erik] Stanford Univ, Dept Energy Resources Engn, Stanford, CA 94305 USA.
[Wetzel, Alan] US Forest Serv, Allegheny Natl Forest, Bradford, PA USA.
RP Pekney, NJ (reprint author), US DOE, Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA.
EM Natalie.Pekney@netl.doe.gov
NR 26
TC 6
Z9 7
U1 4
U2 44
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 1096-2247
EI 2162-2906
J9 J AIR WASTE MANAGE
JI J. Air Waste Manage. Assoc.
PY 2014
VL 64
IS 9
BP 1062
EP 1072
DI 10.1080/10962247.2014.897270
PG 11
WC Engineering, Environmental; Environmental Sciences; Meteorology &
Atmospheric Sciences
SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric
Sciences
GA AO0OI
UT WOS:000341009300010
PM 25283004
ER
PT J
AU Mehrotra, A
Ross, PN
Srinivasan, V
AF Mehrotra, Amal
Ross, Philip N.
Srinivasan, Venkat
TI Quantifying Polarization Losses in an Organic Liquid Electrolyte/Single
Ion Conductor Interface
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID RECHARGEABLE LITHIUM BATTERIES; CARBON ELECTRODE INTERFACE;
CHARGE-TRANSFER; GRAPHITE/ELECTROLYTE INTERFACE; ELECTROCHEMICAL
PERFORMANCE; NONAQUEOUS ELECTROLYTES; PHOSPHORUS OXYNITRIDE; SULFUR
BATTERIES; SOLVATION SHEATH; CATHODE MATERIAL
AB A novel way to quantify polarization losses at an organic liquid electrolyte/single ion conductor interface is presented. Different concentrations (9.2 M, 0.4 M, 0.6 M, 0.8 M, 1 M) of LiPF6 in EC:DEC (1:1), 1 M LiPF6 in DMSO, and 1 M LiPF6 in PC were used as organic electrolytes in the study. Lithium Ion Conducting Glass Ceramic (LICGC), commercially acquired from Ohara Corporation (1 in. x 1 in., 150 mu.m thick) was used as the single ion conductor (SIC). A custom Li-Li symmetric diffusion cell was designed for this study. For a given electrolyte of known composition, constant current cycling experiments were first performed in the absence of the SIC. Thereafter, SIC was incorporated in the cell such that it was sandwiched between two electrolyte chambers. The polarization loss from the cell was then extracted from these two sets of experiments after accounting for the Ohmic drop in the SIC and concentration polarization effects in the liquid electrolyte for a given current density, using a mathematical model. Results suggest that liquid electrolyte/SIC junction polarization could be significant. Such polarization losses will lead to a decrease in the cell voltage at high currents in next generation Li-S and Li-O-2 cells. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Mehrotra, Amal; Ross, Philip N.; Srinivasan, Venkat] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
RP Mehrotra, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
EM amalmehrotra@gmail.com
FU Office of Vehicle Technologies, the United States Department of Energy
[DE-AC02-05CH11231]
FX The authors gratefully acknowledge the financial support from the
Assistant Secretary for Energy Efficiency and Renewable Energy, Office
of Vehicle Technologies, the United States Department of Energy under
contract no. DE-AC02-05CH11231. The authors would also like to thank:
(a) Dr. Charles Delacourt (CNRS, France), for his help in designing the
custom diffusion cell and for the fruitful discussions regarding the
topic; (b) Dr. Kyu-Taek Cho (LBNL) for his help in the CAD drawings of
the custom diffusion cell.
NR 67
TC 4
Z9 4
U1 8
U2 45
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 2014
VL 161
IS 10
BP A1681
EP A1690
DI 10.1149/2.0721410jes
PG 10
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AO3GK
UT WOS:000341217500028
ER
PT J
AU Vadlamani, B
An, K
Jagannathan, M
Chandran, KSR
AF Vadlamani, B.
An, K.
Jagannathan, M.
Chandran, K. S. Ravi
TI An In-Situ Electrochemical Cell for Neutron Diffraction Studies of Phase
Transitions in Small Volume Electrodes of Li-Ion Batteries
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID X-RAY-DIFFRACTION; POWDER DIFFRACTION; STRUCTURAL-CHANGES;
MANGANESE-DIOXIDE; INTERCALATION; INSERTION; GRAPHITE; OPERANDO;
LIMN2O4; CATHODE
AB The design and performance of a novel in-situ electrochemical cell that greatly facilitates the neutron diffraction study of complex phase transitions in small volume electrodes of Li-ion cells, is presented in this work. Diffraction patterns that are Rietveld-refinable could be obtained simultaneously for all the electrodes, which demonstrates that the cell is best suited to explore electrode phase transitions driven by the lithiation and delithiation processes. This has been facilitated by the use of-single crystal (100) Si sheets as casing material and the planar cell configuration, giving improved signal-to-noise ratio relative to other casing materials. The in-situ cell has also been designed for easy assembly and to facilitate rapid experiments. The effectiveness of cell is demonstrated by tracking the neutron diffraction patterns during the charging of graphite/LiCoO2 and graphite/LiMn2O4 cells. It is shown that good quality neutron diffraction data can be obtained and that most of the finer details of the phase transitions, and the associated changes in crystallographic parameters in these electrodes, can be captured. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Vadlamani, B.; Jagannathan, M.; Chandran, K. S. Ravi] Univ Utah, Dept Met Engn, Salt Lake City, UT 84112 USA.
[An, K.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Spallat Neutron Source, Oak Ridge, TN USA.
RP Vadlamani, B (reprint author), Univ Utah, Dept Met Engn, Salt Lake City, UT 84112 USA.
EM ravi.chandran@utah.edu
RI An, Ke/G-5226-2011
OI An, Ke/0000-0002-6093-429X
FU DoE-BES [DE-FG02-12ER46891]; DOE-BES Neutron Scattering program;
Scientific User Facilities Division, Office of Basic Energy Sciences, US
Department of Energy
FX The research was supported by DoE-BES grant DE-FG02-12ER46891. The
authors thank DOE-BES Neutron Scattering program for the support and
encouragement. Research conducted at ORNL's Spallation Neutron Source
was sponsored by the Scientific User Facilities Division, Office of
Basic Energy Sciences, US Department of Energy. Authors thank Dr. S.
Rao, formerly at National University of Singapore for his value
suggestions. The authors also appreciate the assistance of M. Frost, H.
D. Skorpenske and Dr. Y. Chen at SNS during experimentation.
NR 46
TC 6
Z9 6
U1 4
U2 40
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 2014
VL 161
IS 10
BP A1731
EP A1741
DI 10.1149/2.0951410jes
PG 11
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AO3GK
UT WOS:000341217500034
ER
PT J
AU Zhou, SL
King, G
Scanlon, DO
Sougrati, MT
Melot, BC
AF Zhou, Shiliang
King, Graham
Scanlon, David O.
Sougrati, Moulay T.
Melot, Brent C.
TI Low Temperature Preparation and Electrochemical Properties of LiFeSi2O6
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID LI-ION BATTERIES; RECHARGEABLE LITHIUM BATTERIES; CATHODE MATERIALS;
MAGNETIC-STRUCTURE; AB-INITIO; 298 K; LI2FESIO4; CRYSTAL;
CLINOPYROXENES; MOSSBAUER
AB The growing demand for Li-ion batteries requires the development of inexpensive materials that can be made in a sustainable fashion. Here we report a new low-temperature preparation for and the first electrochemical characterization of LiFeSi2O6, a hugely Earth-abundant, rock-forming mineral. We have found that LiFeSi2O6 undergoes a reversible electrochemical reaction against Li centered around 2 V with capacities near 60% of the theoretical maximum. We employ high resolution synchrotron X-ray and neutron diffraction to characterize the structure and correlate the rigid connectivity of the framework with the very slow kinetics of diffusion. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Zhou, Shiliang; Melot, Brent C.] Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA.
[King, Graham] Los Alamos Natl Lab, Lujan Neutron Scattering Ctr, Los Alamos, NM 87545 USA.
[Scanlon, David O.] Diamond Light Source Ltd, Didcot OX11 0DE, Oxon, England.
[Scanlon, David O.] UCL, London WC1H 0AJ, England.
[Sougrati, Moulay T.] Inst Charles Gerhardt, CNRS, UMR 5253, Lab Agregats Interfaces & Mat Energie, F-34095 Montpellier 5, France.
RP Zhou, SL (reprint author), Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA.
EM melot@usc.edu
RI Scanlon, David/B-1516-2008; King, Graham/E-3632-2010; Melot,
Brent/B-6456-2008; Sougrati, Moulay Tahar/B-6283-2011
OI Scanlon, David/0000-0001-9174-8601; King, Graham/0000-0003-1886-7254;
Melot, Brent/0000-0002-7078-8206; Sougrati, Moulay
Tahar/0000-0003-3740-2807
FU Dana and David Dornsife College of Letters and Sciences at the
University of Southern California; DoE BES; Los Alamos National Security
LLC under DoE [DEAC52-06NA25396]; U. S. Department of Energy, Office of
Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; EPSRC
[EP/K000144/1, EP/K000136/1]; EPSRC grant [EP/L000202]
FX BCM and SZ gratefully acknowledge financial support through start-up
funding provided by the Dana and David Dornsife College of Letters and
Sciences at the University of Southern California. This work benefited
from the use of the HIPD beamline at the Lujan Center at Los Alamos
Neutron Science Center, funded by DoE BES. Los Alamos National
Laboratory is operated by Los Alamos National Security LLC under DoE
Contract DEAC52-06NA25396. 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. The computational work presented here made use of the
UCL Legion HPC Facility, the IRIDIS cluster provided by the EPSRC funded
Center for Innovation (EP/K000144/1 and EP/K000136/1), and the HECToR
supercomputer through membership of the UK's HPC Materials Chemistry
Consortium, which is funded by EPSRC grant EP/L000202.
NR 60
TC 1
Z9 1
U1 4
U2 23
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2014
VL 161
IS 10
BP A1642
EP A1647
DI 10.1149/2.0611410jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AO3GK
UT WOS:000341217500023
ER
PT J
AU Zhu, Y
Li, Y
Abraham, DP
AF Zhu, Ye
Li, Yan
Abraham, Daniel P.
TI Mitigating Performance Degradation of High-Capacity Lithium-Ion Cells
with Boronate-Based Electrolyte Additives
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID BATTERY ELECTROLYTES; POSITIVE ELECTRODE; ANION RECEPTORS; LAYERED OXIDE
AB Boronate-based electrolyte additives are tested in high-capacity lithium-ion cells containing graphite-based negative and Li1.2Ni0.15Mn0.55Co0.1O2-based positive electrodes. Cells containing small amounts (0.25 wt%) of phenyl boronic acid ethylene glycol ester (PBE) in an EC:EMC (3:7 by wt) 1.2M LiPF6 (Gen2) electrolyte show improved capacity retention and reduced impedance rise compared to cells without the additive. Adding a perfluorooctyl chain to PBE creates the phenyl boronic acid perfluorooctyl ethylene glycol ester (PFO-PBE) compound. Cells with 0.25 wt% PFO-PBE additive display the lowest capacity fade (21%) compared to the PBE (34%) and Gen2 (65%) cells after more than 200, 2.2-4.6 V cycles, at 30 degrees C. These data validate our modular-electrolyte additive concept (PBE head and perfluoroalkyl tail) for high-capacity lithium-ion cells. Impedance rise is reduced further by addition of 2 wt% LiDFOB (LiF2BC2O4) to cells with 0.25 wt% PFO-PBE, thus demonstrating that additive combinations can enhance performance during extended cycling. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Zhu, Ye; Li, Yan; Abraham, Daniel P.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Li, Yan] Univ Rochester, Mat Sci Program, Rochester, NY 14627 USA.
RP Zhu, Y (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM abraham@anl.gov
RI Li, Yan/H-2957-2012
OI Li, Yan/0000-0002-9801-7243
FU U.S. Department of Energy's Vehicle Technologies Program; Argonne, a
U.S. Department of Energy Office of Science laboratory
[DE-AC02-06CH11357]; DOE Vehicle Technologies Program (VTP) within the
core funding of the Applied Battery Research (ABR) for Transportation
Program
FX Support from the U.S. Department of Energy's Vehicle Technologies
Program is gratefully acknowledged. The submitted manuscript has been
created by UChicago Argonne, LLC, Operator of Argonne National
Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of
Science laboratory, is operated under Contract No. DE-AC02-06CH11357. We
are grateful to M. Bettge for his comments to improve this article. We
acknowledge S. Trask, B. Polzin, and A. Jansen, from the U.S. Department
of Energy's (DOE) Cell Analysis, Modeling and Prototyping (CAMP)
Facility, Argonne National Laboratory for providing the electrodes used
in this work. The CAMP is fully supported by the DOE Vehicle
Technologies Program (VTP) within the core funding of the Applied
Battery Research (ABR) for Transportation Program.
NR 29
TC 6
Z9 6
U1 4
U2 36
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 2014
VL 161
IS 10
BP A1580
EP A1585
DI 10.1149/2.0081410jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AO3GK
UT WOS:000341217500015
ER
PT J
AU Banham, D
Ye, SY
Cheng, T
Knights, S
Stewart, SM
Wilson, M
Garzon, F
AF Banham, Dustin
Ye, Siyu
Cheng, Tommy
Knights, Shanna
Stewart, S. Michael
Wilson, Mahlon
Garzon, Fernando
TI Effect of CeOx Crystallite Size on the Chemical Stability of CeOx
Nanoparticles
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID OXIDE NANOPARTICLES; FUEL-CELLS; DEGRADATION; CERIUM; DURABILITY
AB CeOx is an excellent free radical scavenger to improve polymer electrolyte membrane durability. However, this metal oxide will dissolve during accelerated stress testing (AST), with the resulting cations transporting to the cathode catalyst layer (CCL) leading to performance reduction/degradation of the PEMFC. Controlling the rate of CeOx dissolution is therefore of great importance, as it may be possible to maintain sufficient Ce cations for free radical scavenging while minimizing the impact of these cations on the CCL. Here the effect of CeOx crystallite size on CeOx dissolution was investigated. Three CeOx additives were prepared having crystallite sizes of 6, 13, or 25 nm. An ex-situ method was ukd to evaluate the chemical stability of these three CeOx samples, as well as one commercially available Ce0x. It was determined that surface area, rather than crystallite size, is the best predictor of chemical stability. In-situ membrane electrode assembly AST cycling was then performed, demonstrating that when low loadings of CeOx (0.006 mg/cm(2)) are used, the ex-situ method correctly predicts trends in end of life (EOL) performance. Finally, it is shown that increasing the anode RH during AST cycling leads to significantly higher EOL performance losses. (c) The Author(s) 2014. Published by ECS. All rights reserved.
C1 [Banham, Dustin; Ye, Siyu; Cheng, Tommy; Knights, Shanna] Ballard Power Syst, Burnaby, BC V5J 5J8, Canada.
[Stewart, S. Michael] Univ New Mexico, Dept Chem Engn, Albuquerque, NM 87131 USA.
[Wilson, Mahlon; Garzon, Fernando] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Banham, D (reprint author), Ballard Power Syst, Burnaby, BC V5J 5J8, Canada.
EM dustin.banham@ballard.com
OI Wilson, Mahlon/0000-0002-5944-2650
FU U.S. Department of Energy, Office of Fuel cell Technologies; Natural
Sciences and Engineering Research Council of Canada (NSERC)
FX We gratefully acknowledge the U.S. Department of Energy, Office of Fuel
cell Technologies, for financial support, and the Natural Sciences and
Engineering Research Council of Canada (NSERC) for the scholarship
support of DB. The authors also thank Alan Young for many helpful
discussions.
NR 17
TC 6
Z9 6
U1 3
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 2014
VL 161
IS 10
BP F1075
EP F1080
DI 10.1149/2.0931410jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AO3GK
UT WOS:000341217500092
ER
PT J
AU Cullen, DA
Koestner, R
Kukreja, RS
Liu, ZY
Minko, S
Trotsenko, O
Tokarev, A
Guetaz, L
Meyer, HM
Parish, CM
More, KL
AF Cullen, D. A.
Koestner, R.
Kukreja, R. S.
Liu, Z. Y.
Minko, S.
Trotsenko, O.
Tokarev, A.
Guetaz, L.
Meyer, H. M., III
Parish, C. M.
More, K. L.
TI Imaging and Microanalysis of Thin Ionomer Layers by Scanning
Transmission Electron Microscopy
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID ENERGY-LOSS SPECTROSCOPY; MEMBRANE FUEL-CELLS; RADIATION-DAMAGE;
ELECTROCATALYSTS; IMAGES; SEM; TEM
AB Optimized conditions for imaging and spectroscopic/elemental mapping of thin perfluorosulfonic acid (PFSA) ionomer layers in fuel cell electrodes by scanning transmission electron microscopy (STEM) have been investigated. The proper conditions were first identified using model systems of either Nation ionomer-coated nanostructured thin film catalysts or thin films on nanoporous Si. These analysis conditions were then applied in a quantitative study of the ionomer through-layer loading for two differently-prepared electrode catalyst layers using electron energy loss (EELS) and energy dispersive X-ray spectroscopy (EDS) in the STEM. The electron-beam induced damage to the PFSA ionomer was quantified by following the fluorine mass loss with electron dose/exposure and was mitigated by several orders of magnitude using cryogenic specimen cooling and a higher incident electron voltage. Multivariate statistical analysis was applied to the analysis of both EELS and EDS spectrum images for data de-noising and unbiased separation of the independent components related to the catalyst, ionomer, and support distributions within the catalyst layers. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Cullen, D. A.; Meyer, H. M., III; Parish, C. M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Koestner, R.; Kukreja, R. S.] GM Powertrain Engn, Pontiac, MI 48340 USA.
[Liu, Z. Y.] GM Global R&D Ctr, Warren, MI 48090 USA.
[Minko, S.; Trotsenko, O.; Tokarev, A.] Univ Georgia, Nanostruct Mat Lab, Athens, GA 30602 USA.
[Guetaz, L.] CEA Grenoble, L1TEN, DEHT, F-38054 Grenoble 9, France.
[More, K. L.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Cullen, DA (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
EM cullenda@ornl.gov
RI Parish, Chad/J-8381-2013; Cullen, David/A-2918-2015; More,
Karren/A-8097-2016; Minko, Sergiy/A-9458-2009
OI Cullen, David/0000-0002-2593-7866; More, Karren/0000-0001-5223-9097;
Minko, Sergiy/0000-0002-7747-9668
FU Fuel Cell Technologies Office, Office of Energy Efficiency and Renewable
Energy, U.S. Department of Energy; ORNL's Center for Nanophase Materials
Sciences (CNMS) - Scientific User Facilities Division, Office of Basic
Energy Sciences, U.S. Department of Energy
FX The authors thank Eric Stach of Brookhaven National Laboratory for
helpful discussions, and Paul Kotula of Sandia National Laboratory for
providing the AXSIA software. This work was supported by the Fuel Cell
Technologies Office, Office of Energy Efficiency and Renewable Energy,
U.S. Department of Energy, and through a user project supported by
ORNL's Center for Nanophase Materials Sciences (CNMS), which is
sponsored by the Scientific User Facilities Division, Office of Basic
Energy Sciences, U.S. Department of Energy.
NR 25
TC 7
Z9 7
U1 2
U2 40
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 2014
VL 161
IS 10
BP F1111
EP F1117
DI 10.1149/2.1091410jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AO3GK
UT WOS:000341217500096
ER
PT J
AU Kadakia, KS
Datta, MK
Velikokhatnyi, OI
Hanumantha, PJ
Park, SK
Chung, SJ
Hong, DH
Poston, JA
Manivanan, A
Kumta, PN
AF Kadakia, Karan Sandeep
Datta, Moni Kanchan
Velikokhatnyi, Oleg I.
Hanumantha, Prashanth Jampani
Park, Sung Kyoo
Chung, Sung Jae
Hong, Dae Ho
Poston, James A.
Manivanan, Ayyakkannu
Kumta, Prashant N.
TI A Complexed Sol-Gel (CSG) Approach to High Surface Area (HSA) Durable
Ultra Active Platinum-Ruthenium Electro-Catalysts for Direct Methanol
Fuel Cells
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; CARBON NANOTUBES; RU
CATALYSTS; ELECTROCATALYSTS; NANOPARTICLES; OXIDATION; ANODES; CO;
ELECTROOXIDATION
AB Direct Methanol Fuel Cell (DMFC) is a promising power source for continuous generation of energy without evolution of any toxic by-products and greenhouse gases. Pt-Ru has been the accepted gold standard anode electro-catalyst for DMFC, but significant advances are required to enhance its performance and stability. A complexed sol-gel (CSG) approach has been used to develop nanostructured powder materials. Herein we report a novel CSG process to synthesize nanoparticulate high specific surface area (HSA), completely unsupported Pt(Ru) based electro-catalyst exhibiting three fold higher electrochemically active surface area (ECSA) and ultra high electrochemical performance compared to commercially available Johnson Matthey Pt-Ru black catalyst, the currently accepted gold standard. Furthermore, in identical single full cell DMFC configuration tests for methanol oxidation, current and power densities similar to 40% higher than that displayed by Johnson Matthey catalyst is achieved. (c) 2014 The Electrochemical Society. All rights reserved.
C1 [Kadakia, Karan Sandeep; Datta, Moni Kanchan; Velikokhatnyi, Oleg I.; Hanumantha, Prashanth Jampani; Park, Sung Kyoo; Chung, Sung Jae; Hong, Dae Ho; Kumta, Prashant N.] Univ Pittsburgh, Swanson Sch Engn, Pittsburgh, PA 15261 USA.
[Datta, Moni Kanchan; Velikokhatnyi, Oleg I.; Kumta, Prashant N.] Univ Pittsburgh, Ctr Complex Engn Multifunct Mat, Pittsburgh, PA 15261 USA.
[Poston, James A.; Manivanan, Ayyakkannu] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA.
[Kumta, Prashant N.] Univ Pittsburgh, Sch Dent Med, Pittsburgh, PA 15217 USA.
RP Kadakia, KS (reprint author), Univ Pittsburgh, Swanson Sch Engn, Pittsburgh, PA 15261 USA.
EM pkumta@pitt.edu
RI Jampani Hanumantha, Prashanth/A-9840-2013
OI Jampani Hanumantha, Prashanth/0000-0001-7159-1993
FU National Science Foundation [CBET 0933141]
FX Research supported in part by the National Science Foundation under
award - CBET 0933141. Authors also acknowledge Pittsburgh Supercomputing
Center for allocation of computational resources. PNK acknowledges the
Edward R. Weidlein Chair Professorship funds and the Center for Complex
Engineered Multifunctional Materials. (CCEMM) for procuring the
electrochemical equipment used in this research work.
NR 36
TC 2
Z9 2
U1 1
U2 4
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 2014
VL 161
IS 10
BP F1053
EP F1060
DI 10.1149/2.0711410jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AO3GK
UT WOS:000341217500089
ER
PT J
AU Manahan, MP
Clement, JT
Srouji, AK
Brown, SW
Reutzel, T
Mench, MM
AF Manahan, M. P.
Clement, J. T.
Srouji, A. K.
Brown, S. W.
Reutzel, T.
Mench, M. M.
TI Laser Modified Fuel Cell Diffusion Media: Engineering Enhanced
Performance via Localized Water Redistribution
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID MASS-TRANSPORT LIMITATIONS; HIGH CURRENT-DENSITY; MICROPOROUS LAYER;
ELECTROLYTE; MEMBRANE; MANAGEMENT; CATHODE; PEMFC; MODEL; FLOW
AB The present work demonstrates an innovative concept of obtaining enhanced performance via laser treatment of the cathode-side diffusion medium (DM) while mitigating identified degradation modes. A diffusion medium was modified such that hydrophilic heat affected zones (HAZ) were introduced, which led to localized water redistribution. However, no perforation was created, thus mitigating accelerated degradation of the catalyst layer and diffusion medium. This material was compared to a diffusion medium with 100-mu m diameter perforations that contained heat affected zones surrounding the perforations. In-situ net water drag experiments indicate that at low humidity and low-to-moderate current densities, a non-perforated microporous layer (MPL) forces more water to back diffuse from the cathode to the anode. However, when more water is produced at higher currents or the inlet streams are close to saturation, the non-perforated MPL acts as a barrier to prevent liquid water in the cathode DM from moving toward the anode. Furthermore, a computational model showed that the thermal gradients introduced as a result of the perforations can significantly change the water transport, particularly due to phase-change induced flow. This work adds understanding to the role of the MPL and the laser-induced heat affected zones in polymer electrolyte fuel cell performance. (c) 2014 The Electrochemical Society. All rights reserved.
C1 [Manahan, M. P.] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA.
[Clement, J. T.; Mench, M. M.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Electrochem Energy Storage & Convers Lab, Knoxville, TN 37996 USA.
[Srouji, A. K.] Penn State Univ, Dept Energy & Mineral Engn, University Pk, PA 16802 USA.
[Brown, S. W.; Reutzel, T.] Penn State Univ, Appl Res Lab, Laser Syst Engn & Integrat Dept, State Coll, PA 16801 USA.
[Mench, M. M.] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA.
RP Manahan, MP (reprint author), Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA.
EM mmench@utk.edu
NR 45
TC 5
Z9 5
U1 4
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 2014
VL 161
IS 10
BP F1061
EP F1069
DI 10.1149/2.0591410jes
PG 9
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AO3GK
UT WOS:000341217500090
ER
PT J
AU Zhang, H
Gong, MY
Gerdes, K
Liu, XB
AF Zhang, Hui
Gong, Mingyang
Gerdes, Kirk
Liu, Xingbo
TI Surface Transport Mechanism and Bi-Pathway ORR Kinetics for Solid Oxide
Fuel Cell Cathode
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID OXYGEN REDUCTION-MECHANISM; ELECTROCHEMICAL PERFORMANCE; COMPOSITE
CATHODE; 3-PHASE BOUNDARY; SOFC ELECTRODES; CHARGE-TRANSFER; MODEL;
MICROSTRUCTURE; POLARIZATION; PEROVSKITES
AB A one-dimensional continuum model related to close-packing theory has been developed to produce insights into the oxygen reduction reaction (ORR) process in a dense LSM-type cathode system. By incorporating SOFC cathode particle size, the modeling simulations reveal detailed surface processes and parallel reaction pathways responding to polarization-induced changes. A formula to distinguish the contributions of surface diffusion and local reactions to total 3PB is presented, which allows an estimation of the detailed influencing factor for 3PB/2PB transition. The results reveal that the essential correspondence in spatial domains of surface adsorbates and oxygen vacancies implies tight coupling behavior for 3PB/2PB kinetic competition. The kinetic domination of surface reactions shifts between oxygen adsorption and incorporation, demonstrates the importance of harmonization between surface activity and ionic conduction for improving the overall electrochemical performance of SOFC cathode. Such mechanistic studies suggest means of rational design of more active cathodes to optimize the overall electrochemical performance. (c) 2014 The Electrochemical Society. All rights reserved.
C1 [Zhang, Hui; Gong, Mingyang; Gerdes, Kirk; Liu, Xingbo] Natl Energy Technol Lab, Morgantown, WV 26507 USA.
[Zhang, Hui; Gong, Mingyang; Liu, Xingbo] W Virginia Univ, Mech & Aerosp Engn Dept, Morgantown, WV 26506 USA.
RP Zhang, H (reprint author), Natl Energy Technol Lab, Morgantown, WV 26507 USA.
EM xingbo.liu@mail.wvu.edu
RI Zhang, Hui/A-6042-2015
FU U.S. Department of Energy's SECA program; National Energy Technology
Laboratory's Regional University Alliance (NETL-RUA) project
[DE-AC26-04NT41817]
FX This research is financially supported by U.S. Department of Energy's
SECA program in conjunction with National Energy Technology Laboratory's
Regional University Alliance (NETL-RUA) project under contract number
(DE-AC26-04NT41817).
NR 23
TC 2
Z9 2
U1 0
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 2014
VL 161
IS 10
BP F983
EP F990
DI 10.1149/2.0271410jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AO3GK
UT WOS:000341217500082
ER
PT J
AU Vandiver, MA
Caire, BR
Carver, JR
Waldrop, K
Hibbs, MR
Varcoe, JR
Herring, AM
Liberatore, MW
AF Vandiver, Melissa A.
Caire, Benjamin R.
Carver, Jordan R.
Waldrop, Krysta
Hibbs, Michael R.
Varcoe, John R.
Herring, Andrew M.
Liberatore, Matthew W.
TI Mechanical Characterization of Anion Exchange Membranes by Extensional
Rheology under Controlled Hydration
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID PEM FUEL-CELLS; ELECTROLYTE; DEGRADATION; DURABILITY; DEFORMATION;
TEMPERATURE; PERFORMANCE; BEHAVIOR
AB Alkali anion exchange membrane (AEM) based devices have the potential for electrochemical energy conversion using inexpensive catalysts and a variety of fuel types. Membrane stability and anion transport must be improved in AEMs before these devices can be fully realized. Mechanical failure of the membrane can contribute to failure of the device, thus membrane durability is critical to overall system design. Here, a study of the Mechanical properties of three well-established AEMs uses a modified extensional rheometer platform to simulate tensile testing using small membrane samples. Mechanical properties were tested at 30 and 60 degrees C under dry or water saturated gas conditions. Water in the membrane has a plasticizing effect, softening the membrane and reducing strength. PEEK membrane reinforcement limits swelling producing negligible softening and only a 9% decrease in strength from dry to hydrated conditions at 30 degrees C. Higher cation concentration increases water uptake resulting in significant softening, a 57% reduction in Young's modulus, and a 67% reduction in strength when hydrated at 30 degrees C. In a working electrochemical device, AEMs must maintain integrity over a range of temperatures and hydrations, making it critical to considering mechanical properties when designing new membranes. (C) The Author(s) 2014. 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 [Vandiver, Melissa A.; Caire, Benjamin R.; Carver, Jordan R.; Waldrop, Krysta; Herring, Andrew M.; Liberatore, Matthew W.] Colorado Sch Mines, Dept Chem & Biol Engn, Golden, CO 80401 USA.
[Hibbs, Michael R.] Sandia Natl Labs, Mat Devices & Energy Technol Grp, Albuquerque, NM 87185 USA.
[Varcoe, John R.] Univ Surrey, Fac Engn & Phys Sci, Dept Chem, Guildford GU2 7XH, Surrey, England.
RP Vandiver, MA (reprint author), Colorado Sch Mines, Dept Chem & Biol Engn, Golden, CO 80401 USA.
EM mliberat@mines.edu
RI Liberatore, Matthew/B-6828-2008;
OI Caire, Benjamin/0000-0003-3379-7733; Herring, Andrew/0000-0001-7318-5999
FU Army Research Office under the MURI [W911NF-10-1-0520]; DURIP
[W911NF-11-1-0306]; NSF Polymer REU [EEC-1156745]; EPSRC [EP/I004882/1];
U. S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX The authors thank the Army Research Office for support of this research
under the MURI #W911NF-10-1-0520 and DURIP #W911NF-11-1-0306 and the NSF
Polymer REU under EEC-1156745. The membrane synthesis at the University
of Surrey was supported by EPSRC grant EP/I004882/1. Sandia National
Laboratories is a multiprogram laboratory operated by Sandia
Corporation, a wholly owned subsidiary of Lockheed Martin Company, for
the U. S. Department of Energy's National Nuclear Security
Administration under contract DE-AC04-94AL85000.
NR 41
TC 9
Z9 9
U1 1
U2 21
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 2014
VL 161
IS 10
BP H677
EP H683
DI 10.1149/2.0971410jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AO3GK
UT WOS:000341217500114
ER
PT J
AU Richman, E
Merzouk, M
AF Richman, Eric
Merzouk, Massine
TI A Comparison of 2pi and 4pi Photometric Testing of Directional and
Omnidirectional Sources in an Integrating Sphere
SO LEUKOS
LA English
DT Article
DE 2pi; 4pi; integrating; photometric; pi; sphere
AB The U.S. Department of Energy Solid State Lighting program, as part of its support of standards and test methods development efforts, performed a series of integrating sphere comparison tests in 2pi and 4pi geometries. These tests were conducted to help characterize the potential difference between various test protocols for identical lighting products as this would relate to light emitting diode (LED) product testing. A total of 11 different directional and 11 different omnidirectional products were tested over three different testing protocols. These protocols represent real-world test conditions depending on varying laboratory equipment and calibration capabilities. The analysis of the data indicates that there are significant differences in how lamps are testing within the same integrating sphere using common industry accepted methods and calibration standards. The testing identified differences of 4% to 18% between common industry test formats for the particular lamp type and potential alternative formats. These results provide information on the differences in test formats and to help test method developers determine when it is important to more specifically define how tests must be conducted under different formats.
C1 [Richman, Eric; Merzouk, Massine] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Richman, E (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA.
EM eric.richman@pnnl.gov
NR 4
TC 0
Z9 0
U1 1
U2 2
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 CHESTNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 1550-2724
EI 1550-2716
J9 LEUKOS
JI Leukos
PY 2014
VL 10
IS 4
BP 183
EP 191
DI 10.1080/15502724.2014.910126
PG 9
WC Construction & Building Technology; Optics
SC Construction & Building Technology; Optics
GA AN8VA
UT WOS:000340881900002
ER
PT J
AU Weekley, CM
Shanu, A
Aitken, JB
Vogt, S
Witting, PK
Harris, HH
AF Weekley, Claire M.
Shanu, Anu
Aitken, Jade B.
Vogt, Stefan
Witting, Paul K.
Harris, Hugh H.
TI XAS and XFM studies of selenium and copper speciation and distribution
in the kidneys of selenite-supplemented rats
SO METALLOMICS
LA English
DT Article
ID PLASMA-MASS SPECTROMETRY; PREVENTION TRIAL SELECT; X-RAY-ABSORPTION;
THIOREDOXIN REDUCTASE; CANCER-CELLS; OXIDATIVE STRESS; VITAMIN-E;
DIETARY SELENIUM; ANIMAL-MODEL; HT-29 CELLS
AB Dietary selenium has been implicated in the prevention of cancer and other diseases, but its safety and efficacy is dependent on the supplemented form and its metabolites. In this study, X-ray absorption spectroscopy (XAS) and X-ray fluorescence microscopy (XFM) have been used to investigate the speciation and distribution of Se and Cu in vivo. In kidneys isolated from rats fed a diet containing 5 ppm Se as selenite for 3 weeks, Se levels increased 5-fold. XFM revealed a strong correlation between the distribution of Se and the distribution of Cu in the kidney, a phenomenon that has previously been observed in cell culture (Weekley et al., JBIC, J. Biol. Inorg. Chem., 2014, DOI: 10.1007/s00775-014-1113-x). However, X-ray absorption spectra suggest that most of the Se in the kidney is found as Se-Se species, rather than Cu-bound, and that most of the Cu is bound to S and N, presumably to amino acid residues in proteins. Furthermore, SOD1 expression did not change in response to the high Se diet. We cannot rule out the possibility of some Cu-Se bonding in the tissues, but our results suggest mechanisms other than the formation of Cu-Se species and SOD1 upregulation are responsible for the highly correlated distributions of Se and Cu in the kidneys of rats fed high selenite diets.
C1 [Weekley, Claire M.; Harris, Hugh H.] Univ Adelaide, Sch Chem & Phys, Adelaide, SA 5005, Australia.
[Shanu, Anu; Witting, Paul K.] Univ Sydney, Discipline Pathol, Sydney, NSW 2006, Australia.
[Aitken, Jade B.] Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia.
[Vogt, Stefan] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Lemont, IL 60439 USA.
RP Harris, HH (reprint author), Univ Adelaide, Sch Chem & Phys, Adelaide, SA 5005, Australia.
EM hugh.harris@adelaide.edu.au
RI Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013;
OI Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513;
Harris, Hugh/0000-0002-3472-8628
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]; DOE Office of Biological and Environmental
Research; National Institutes of Health, National Center for Research
Resources, Biomedical Technology Program [P41RR001209]; International
Synchrotron Access Program (ISAP) - Australian Government; Australian
Synchrotron Postgraduate Award; Australian Research Council [DP0985807]
FX Graham N. George (University of Saskatchewan) provided Se Kedge X-ray
absorption spectra of model Se compounds (except MeSeCys and GPx) and
some model Cu compounds. Ninian Blackburn provided spectra of hCCS245Sec
and Enzo Lombi also provided some model Cu compounds. Claire Wright
(CSIRO Land and Water) performed microwave assisted digestion and ICP-MS
measurements of kidney tissues. 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. Part of this research was undertaken at
the X-ray Fluorescence Microprobe beamline at the Australian
Synchrotron, Victoria, Australia. Portions of this research were carried
out at the Stanford Synchrotron Radiation Lightsource, a Directorate of
SLAC National Accelerator Laboratory and an Office of Science User
Facility operated for the U.S. Department of Energy Office of Science by
Stanford University. The SSRL Structural Molecular Biology Program is
supported by the DOE Office of Biological and Environmental Research,
and by the National Institutes of Health, National Center for Research
Resources, Biomedical Technology Program (P41RR001209). We acknowledge
travel funding provided by the International Synchrotron Access Program
(ISAP) managed by the Australian Synchrotron and funded by the
Australian Government, research funding from the Australian Research
Council (DP0985807 to HHH) and the Australian Synchrotron Postgraduate
Award (CMW).
NR 65
TC 12
Z9 12
U1 1
U2 21
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 2014
VL 6
IS 9
BP 1602
EP 1615
DI 10.1039/c4mt00088a
PG 14
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA AO0RG
UT WOS:000341018500004
PM 24801434
ER
PT J
AU Bourassa, D
Gleber, SC
Vogt, S
Yi, H
Will, F
Richter, H
Shin, CH
Fahrni, CJ
AF Bourassa, Daisy
Gleber, Sophie-Charlotte
Vogt, Stefan
Yi, Hong
Will, Fabian
Richter, Heiko
Shin, Chong Hyun
Fahrni, Christoph J.
TI 3D imaging of transition metals in the zebrafish embryo by X-ray
fluorescence microtomography
SO METALLOMICS
LA English
DT Article
ID ELECTRON-MICROSCOPY; PHASE-CONTRAST; TOMOGRAPHY; EXPRESSION; MICROPROBE;
GENE; RECONSTRUCTION; SPECIATION; DISEASE; CELLS
AB Synchrotron X-ray fluorescence (SXRF) microtomography has emerged as a powerful technique for the 3D visualization of the elemental distribution in biological samples. The mechanical stability, both of the instrument and the specimen, is paramount when acquiring tomographic projection series. By combining the progressive lowering of temperature method (PLT) with femtosecond laser sectioning, we were able to embed, excise, and preserve a zebrafish embryo at 24 hours post fertilization in an X-ray compatible, transparent resin for tomographic elemental imaging. Based on a data set comprised of 60 projections, acquired with a step size of 2 mu m during 100 hours of beam time, we reconstructed the 3D distribution of zinc, iron, and copper using the iterative maximum likelihood expectation maximization (MLEM) reconstruction algorithm. The volumetric elemental maps, which entail over 124 million individual voxels for each transition metal, revealed distinct elemental distributions that could be correlated with characteristic anatomical features at this stage of embryonic development.
C1 [Bourassa, Daisy; Fahrni, Christoph J.] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA.
[Bourassa, Daisy; Shin, Chong Hyun; Fahrni, Christoph J.] Georgia Inst Technol, Petit Inst Bioengn & Biosci, Atlanta, GA 30332 USA.
[Gleber, Sophie-Charlotte; Vogt, Stefan] Argonne Natl Lab, Xray Sci Div, Adv Photon Source, Argonne, IL 60439 USA.
[Yi, Hong] Emory Univ, Robert P Apkarian Integrated Electron Microscopy, Atlanta, GA 30322 USA.
[Will, Fabian; Richter, Heiko] LLS Rowiak LaserLabSolut GmbH, D-30419 Hannover, Germany.
[Shin, Chong Hyun] Georgia Inst Technol, Sch Biol, Atlanta, GA 30332 USA.
RP Fahrni, CJ (reprint author), Georgia Inst Technol, Sch Chem & Biochem, 901 Atlantic Dr, Atlanta, GA 30332 USA.
EM fahrni@chemistry.gatech.edu
RI Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013
OI Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513
FU National Science Foundation [CHE-1306943]; National Institutes of Health
[K01DK081351]; Vasser Woolley Foundation; U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]
FX Financial support by the National Science Foundation (CHE-1306943 to
CJF), the National Institutes of Health (K01DK081351 to CHS), and the
Vasser Woolley Foundation is gratefully acknowledged. Use of the
Advanced Photon Source was supported by the U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences, under Contract No.
DE-AC02-06CH11357.
NR 49
TC 12
Z9 13
U1 2
U2 29
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 2014
VL 6
IS 9
BP 1648
EP 1655
DI 10.1039/c4mt00121d
PG 8
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA AO0RG
UT WOS:000341018500009
PM 24992831
ER
PT J
AU Tan, GQ
Wu, F
Lu, J
Chen, RJ
Li, L
Amine, K
AF Tan, Guoqiang
Wu, Feng
Lu, Jun
Chen, Renjie
Li, Li
Amine, Khalil
TI Controllable crystalline preferred orientation in Li-Co-Ni-Mn oxide
cathode thin films for all-solid-state lithium batteries
SO NANOSCALE
LA English
DT Article
ID ION BATTERIES; ELECTROCHEMICAL PERFORMANCE; COATED LIFEPO4; LICOO2
FILMS; ELECTROLYTE; LINI1/3CO1/3MN1/3O2; DEPOSITION; BEHAVIOR
AB All-solid-state thin-film batteries are highly desirable for microelectronic devices because of their high energy densities, long lifetime, negligible self-discharge rates, flexibility in design, and enhanced safety performance. In this work, Li-Co-Ni-Mn oxide cathode thin films with controllable crystal orientation are prepared by radio frequency magnetron sputtering combined with in situ post-annealing at temperatures of 400-700 degrees C. The as-deposited thin film has an amorphous structure and develops layered structures during the annealing process. Nano-sized crystalline grains grow in the (104) plane at 400 degrees C, but they are oriented to the (110) plane at 700 degrees C. The (110) plane is considered to be the most favorable for fast lithium-ion diffusion in layered structures, and this preferred orientation is due to the minimization of the structural energy developed in the thin film during annealing. In cell tests, thin film cathodes with the controlled crystal orientation exhibit higher electrochemical performance than the amorphous thin film cathodes owing to their improved lithium-ion conductivity and interfacial resistance. The crystalline Li-Co-Ni-Mn oxide thin film is thus a promising candidate cathode material for all-solid-state lithium batteries.
C1 [Tan, Guoqiang; Wu, Feng; Chen, Renjie; Li, Li] Beijing Inst Technol, Beijing Key Lab Environm Sci & Engn, Sch Chem Engn & Environm, Beijing 100081, Peoples R China.
[Wu, Feng; Chen, Renjie; Li, Li] Natl Dev Ctr High Technol Green Mat, Beijing 100081, Peoples R China.
[Lu, Jun; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA.
RP Chen, RJ (reprint author), Beijing Inst Technol, Beijing Key Lab Environm Sci & Engn, Sch Chem Engn & Environm, Beijing 100081, Peoples R China.
EM chenrj@bit.edu.cn; amine@anl.gov
FU National Science Foundation of China [21373028]; National 863 Program
[2011AA11A256]; New Century Educational Talents Plan of Chinese
Education Ministry [NCET-12-0050]; Beijing Nova Program
[Z121103002512029]; U.S. Department of Energy [DE-AC0206CH11357];
Vehicle Technologies Office, Department of Energy (DOE) Office of Energy
Efficiency and Renewable Energy (EERE)
FX This work was supported by the National Science Foundation of China
(21373028); National 863 Program (2011AA11A256); New Century Educational
Talents Plan of Chinese Education Ministry (NCET-12-0050) and Beijing
Nova Program (Z121103002512029). This work was also supported by the
U.S. Department of Energy under Contract DE-AC0206CH11357 with the
support provided by the Vehicle Technologies Office, Department of
Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE). We
especially thank the collaboration between Argonne National Laboratory
and Beijing Institute of Technology under US-China Electric Vehicle and
Battery Technology program.
NR 34
TC 13
Z9 13
U1 18
U2 180
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 2014
VL 6
IS 18
BP 10611
EP 10622
DI 10.1039/c4nr02949f
PG 12
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA AO0RY
UT WOS:000341020700025
PM 25081246
ER
PT J
AU Bhat, SSM
Huq, A
Swain, D
Narayana, C
Sundaram, NG
AF Bhat, Swetha S. M.
Huq, Ashfia
Swain, Diptikanta
Narayana, Chandrabhas
Sundaram, Nalini G.
TI Photoluminescence tuning of Na1-xKxNdW2O8 (0.0 <= x <= 0.7)
nanoparticles: synthesis, crystal structure and Raman study
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID ALKALI-METAL IONS; CHARGE COMPENSATION; LUMINESCENCE PROPERTIES; RED
PHOSPHORS; EU3+; TUNGSTATE; NA; NANOCRYSTALS; POLYMORPHISM; EXCITATION
AB A series of Na1-xKxNdW2O8 (0.0 <= x <= 0.7) nanoparticles have been synthesized by an efficient glycothermal technique for the first time. SEM measurements confirmed the particle size ranges from 30-200 nm with ellipsoidal shaped morphology. Combined X-ray and neutron diffraction and Raman spectroscopy techniques were utilized in order to investigate the influence of K+ ion substitution in NaNdW2O8. K+ ion substitution in the crystal lattice introduced a change in the Nd-O bond length and the Nd-O-W bond angle of NaNdW2O8. The photoluminescence intensity increased up to the threshold composition x = 0.4. K+ ion substitution resulted in blue shifted emission of NaNdW2O8. Size mismatch, the Nd-O-W angle and local disorder contributed to the observed difference in luminescence properties. Also, the chromaticity diagram for this blue emitting phosphor showed the possibility of tuning the emission by incorporation of K.
C1 [Bhat, Swetha S. M.; Sundaram, Nalini G.] Poornaprajna Inst Sci Res PPISR, Div Mat Sci, Devanahalli 562110, Bengaluru, India.
[Huq, Ashfia] Oak Ridge Natl Lab, Spallat Neutron Source, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA.
[Swain, Diptikanta; Narayana, Chandrabhas] Jawaharlal Nehru Ctr Adv Sci Res, CPMU, Jakkur, Bengaluru, India.
RP Sundaram, NG (reprint author), Poornaprajna Inst Sci Res PPISR, Div Mat Sci, Bidalur Post, Devanahalli 562110, Bengaluru, India.
EM nalini@poornaprajna.org
RI Bhat, Swetha/A-6152-2015; Huq, Ashfia/J-8772-2013
OI Huq, Ashfia/0000-0002-8445-9649
FU UGC, India; Scientific User Facilities Division, Office of Basic Energy
Sciences, U.S. Department of Energy
FX Swetha S. M. thanks UGC, India, for the fellowship and Manipal
University, India, for accepting this work as part of PhD program.
Swetha S. M. Bhat and Nalini G. Sundaram thank Joydeep and Satish Patil
SSCU, IISc, Bengaluru for photoluminescence facility. 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.
NR 28
TC 1
Z9 1
U1 0
U2 13
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 35
BP 18772
EP 18780
DI 10.1039/c4cp02176b
PG 9
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AO4GV
UT WOS:000341295500017
PM 25077684
ER
PT J
AU Carraher, JM
Bakac, A
AF Carraher, Jack M.
Bakac, Andreja
TI Generation of free oxygen atoms O(P-3) in solution by photolysis of
4-benzoylpyridine N-oxide
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID LASER FLASH-PHOTOLYSIS; ELECTRON-TRANSFER; AQUEOUS-SOLUTIONS; RATE
CONSTANTS; METAL-COMPLEXES; EXCITED-STATES; URANYL-ION; PHOTOCHEMISTRY;
RADICALS; SULFOXIDE
AB Laser flash photolysis of 4-benzoylpyridine N-oxide (BPyO) at 308 nm in aqueous solutions generates a triplet excited state (BPyO)-B-3* that absorbs strongly in the visible, lambda max 490 and 380 nm. (BPyO)-B-3* decays with the rate law k(decay)/S-1 = (3.3 +/- 0.9) x 10(4) + (1.5 +/- 0.2) x 10(9) [BPyO] to generate a mixture of isomeric hydroxylated benzoylpyridines, BPy(OH), in addition to small amounts of oxygen atoms, O(P-3). Molecular oxygen quenches (BPyO)-B-3*, k(Q) = 1.4 x 10(9) M-1 s(-1), but the yields of O(P-3) increase in O-2-saturated solutions to 36%. Other triplet quenchers have a similar effect, which rules out the observed (BPyO)-B-3* as a source of O(P-3). It is concluded that O(P-3) is produced from either (BPyO)-B-1* or a short-lived, unobserved, higher energy triplet generated directly from (BPyO)-B-1*. (BPyO)-B-3* is reduced by Fe2+ and by ABTS(2-) to the radical anion BPyO center dot- which exhibits a maximum at 510 nm, epsilon = 2200 M-1 cm(-1). The anion engages in back electron transfer with ABTS(center dot-) with k = 1.7 x 10(9) M-1 s(-1). The same species can be generated by reducing ground state BPyO with C-center dot(CH3)(2)OH. The photochemistry of BPyO in acetonitrile is similar to that in aqueous solutions.
C1 [Carraher, Jack M.; Bakac, Andreja] Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
[Carraher, Jack M.; Bakac, Andreja] Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
RP Bakac, A (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
EM bakac@iastate.edu
FU U.S. Department of Energy (DOE), Office of Science, Basic Energy
Sciences, Chemical Sciences, Geosciences, and Biosciences Division; U.S.
DOE [DE-AC02-07CH11358]
FX This work was supported by the U.S. Department of Energy (DOE), Office
of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and
Biosciences Division. The research was performed at the Ames Laboratory
which is operated for the U.S. DOE by Iowa State University under
contract DE-AC02-07CH11358.
NR 46
TC 0
Z9 0
U1 4
U2 9
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 36
BP 19429
EP 19436
DI 10.1039/c4cp02751e
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AO4IA
UT WOS:000341299500044
PM 25103682
ER
PT S
AU Sment, J
Ho, CK
AF Sment, J.
Ho, C. K.
BE Pitchumani, R
TI Wind patterns over a heliostat field
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE heliostat field; wind loads; turbulence
AB Heliostats constitute a major portion of the direct costs of a concentrating solar power tower plant. As a result, a significant amount of effort is being focused on designing and developing cheaper heliostats. The optical and structural performance of these new and existing heliostats under dynamic wind loads must be characterized and understood in order to meet both cost and performance objectives. This paper presents the second phase of a U.S. DOE-sponsored program at Sandia National Laboratories' National Solar Thermal Test Facility (NSTTF) that includes dynamic testing and analysis of multiple full-scale heliostats. The objectives of these tests and analyses are to characterize and understand some differences in the impacts of dynamic wind loads on heliostat strain and cyclic fatigue between perimeter and inner-field heliostats.
A weather tower with three tri-axial ultrasonic anemometers has been erected just outside the field to measure the approaching boundary winds, while a portable tower was set up to characterize wind velocities and turbulence between subsequent rows within the field. Anemometers have also been mounted to some heliostats to gather close range measurement of turbulence and wind frequencies and to provide a point of comparison for computational fluid dynamics models of wind flow over the field. This paper presents mean wind speeds and wind loads on heliostats as a function of field position. The calculated mean wind loads were used to assess the mean wind-load reduction correlation of Peterka [1]. (C) 2013 J. Sment. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/).
C1 [Sment, J.; Ho, C. K.] Sandia Natl Labs, Concentrating Solar Technol Dept, Albuquerque, NM 87185 USA.
RP Sment, J (reprint author), Sandia Natl Labs, Concentrating Solar Technol Dept, POB 5800-0350, Albuquerque, NM 87185 USA.
NR 9
TC 0
Z9 0
U1 3
U2 6
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 229
EP 238
DI 10.1016/j.egypro.2014.03.025
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700023
ER
PT S
AU Yellowhair, J
Andraka, CE
AF Yellowhair, J.
Andraka, C. E.
BE Pitchumani, R
TI Evaluation of advanced heliostat reflective facets on cost and
performance
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE concentrating solar power; power tower; heliostat; low-cost facets;
SunShot; levelized cost of energy
AB Heliostat reflective facets have traditionally been constructed with glass/silver and metal back support, which may be near reaching its minimum cost point. During the past year, Sandia National Laboratories evaluated alternative low-cost materials and manufacturing methods to construct facets with the goal of reducing current facet cost by at least 25% while maintaining surface slope errors of 1 milli-radians RMS or below. Several companies developed prototype facet samples, which were optically evaluated at Sandia and compared to baseline facet samples using a proposed cost-to-performance metric.
A cost-performance metric for comparing facets was developed by modeling and optimizing the hypothetical SunShot 200 MWe power tower plant scenario in DELSOL, a computer code for system-level modeling of power tower systems. We varied the slope error on the facets and adjusted the cost on the facets to maintain a constant plant levelized cost of energy (LCOE). The result of these models provided a chart of the facet optical performance and the allowable facet cost for a constant plant LCOE.
The size of the prototype facet samples ranged from 1.4 to 3 m(2). The measured optical slope errors were between 1 and 2 milli-radians RMS when compared to a flat mirror design shape. Despite slope errors greater than 1 milli-radians RMS, some of the prototype samples met the cost goals for this project using the cost-performance metric. Next steps are to work with the companies to improve the manufacturing processes and further reduce the cost and improve on the optical performance to reach Department of Energy SunShot goal of $75/m(2) for heliostats. (C) 2013 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license
C1 [Yellowhair, J.; Andraka, C. E.] Sandia Natl Labs, Concentrating Solar Technol Dept, Albuquerque, NM 87185 USA.
RP Yellowhair, J (reprint author), Sandia Natl Labs, Concentrating Solar Technol Dept, POB 5800,MS1127, Albuquerque, NM 87185 USA.
EM jeyello@sandia.gov
NR 10
TC 1
Z9 1
U1 0
U2 1
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 265
EP 274
DI 10.1016/j.egypro.2014.03.029
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700027
ER
PT S
AU Christian, J
Ho, C
AF Christian, Joshua
Ho, Clifford
BE Pitchumani, R
TI Alternative designs of a high efficiency, north-facing, solid particle
receiver
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE concentrating solar power; solid particle receiver; cavity
AB Falling solid particle receivers can enable increased working-fluid temperatures for central receiver power plants, but will need to have high thermal efficiencies. This can increase power-cycle efficiencies and reduce thermal storage costs. A previous north-facing solid particle receiver (SPR) design was estimated to have a thermal efficiency of 72.3%. This design included a large aperture (17 m x 17 m), a slight downward facing nod (20 degrees), a high-sloping ceiling to accommodate the beam angles from the closest heliostats, and particles released near the back wall of the receiver. Receiver design modifications have been introduced to achieve a thermal efficiency of >90% as stated in the SunShot initiative. Design changes including a reduced aperture size, bottom lip on aperture, increased nod angle, deeper cavity, reduced ceiling slope angles, and more specular walls resulted in higher thermal efficiency designs.
DELSOL was used to determine viable receiver dimensions, aperture sizes, and nod angles for a desired power output. The optimum receiver parameters were 10.63 m x 10.63 m aperture size, 50 degrees nod angle, and a tower height of 194.7 m. The new aperture size had a higher concentration ratio and provided maximum incident power on the particles with minimum radiative loss. An aperture with a lip, nod angle of 50 degrees, and extended back wall prevented buoyant hot air from leaving the receiver. A ceiling with higher reflectivity allowed more incident radiation to be reflected onto the particles rather than absorbed and thermally re-emitted. (C) 2013 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license
C1 [Christian, Joshua; Ho, Clifford] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Christian, J (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM jmchris@sandia.gov
NR 6
TC 2
Z9 2
U1 1
U2 4
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 314
EP 323
DI 10.1016/j.egypro.2014.03.034
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700032
ER
PT S
AU Ho, C
Christian, J
Gill, D
Moya, A
Jeter, S
Abdel-Khalik, S
Sadowski, D
Siegel, N
Al-Ansary, H
Amsbeck, L
Gobereit, B
Buck, R
AF Ho, C.
Christian, J.
Gill, D.
Moya, A.
Jeter, S.
Abdel-Khalik, S.
Sadowski, D.
Siegel, N.
Al-Ansary, H.
Amsbeck, L.
Gobereit, B.
Buck, R.
BE Pitchumani, R
TI Technology advancements for next generation falling particle receivers
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE Falling particle receiver; recirculation; air curtain; solid particles;
storage; particle heat exchange; proppants; particle lift
AB The falling particle receiver is a technology that can increase the operating temperature of concentrating solar power (CSP) systems, improving efficiency and lowering the costs of energy storage. Unlike conventional receivers that employ fluid flowing through tubular receivers, falling particle receivers use solid particles that are heated directly as they fall through a beam of concentrated sunlight for direct heat absorption and storage. Because the solar energy is directly absorbed by the particles, the flux limitations associated with tubular central receivers are mitigated. Once heated, the particles may be stored in an insulated tank and/or used to heat a secondary working fluid (e. g., steam, CO2, air) for the power cycle. Thermal energy storage costs can be significantly reduced by directly storing heat at higher temperatures in a relatively inexpensive, stable medium. This paper presents an overview of recent advancements being pursued in key areas of falling particle receiver technology, including (1) advances in receiver design with consideration of particle recirculation, air recirculation, and interconnected porous structures; (2) advances in particle materials to increase the solar absorptance and durability; and (3) advances in the balance of plant for falling particle receiver systems including thermal storage, heat exchange, and particle conveyance. (C) 2013 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license
C1 [Ho, C.; Christian, J.; Gill, D.; Moya, A.] Sandia Natl Labs, PO 5800, Albuquerque, NM 87185 USA.
[Jeter, S.; Abdel-Khalik, S.; Sadowski, D.] Georgia Inst Technol, Atlanta, GA 30332 USA.
[Siegel, N.] Bucknell Univ, Lewisburg, PA 17837 USA.
[Al-Ansary, H.] King Saud Univ, Riyadh 11412, Saudi Arabia.
[Amsbeck, L.; Gobereit, B.; Buck, R.] German Aerosp Ctr DLR, D-70569 Stuttgart, Germany.
RP Ho, C (reprint author), Sandia Natl Labs, PO 5800, Albuquerque, NM 87185 USA.
EM ckho@sandia.gov
FU U.S. Department of Energy, SunShot Initiative [DE-EE0000595-1558]; U.S.
Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX This work was funded by the U.S. Department of Energy, SunShot
Initiative, Project #DE-EE0000595-1558. Sandia National Laboratories is
a multi-program laboratory managed and operated by Sandia Corporation, a
wholly owned subsidiary of Lockheed Martin Corporation, for the U.S.
Department of Energy's National Nuclear Security Administration under
contract DE-AC04-94AL85000.
NR 25
TC 14
Z9 14
U1 2
U2 16
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 398
EP 407
DI 10.1016/j.egypro.2014.03.043
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700041
ER
PT S
AU Zanino, R
Bonifetto, R
Christian, JM
Ho, CK
Richard, LS
AF Zanino, R.
Bonifetto, R.
Christian, J. M.
Ho, C. K.
Richard, L. Savoldi
BE Pitchumani, R
TI Effects of RANS-Type turbulence models on the convective heat loss
computed by CFD in the solar two power tower
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE Solar Two; Central receiver systems; Convective heat losses;
Computational Fluid Dynamics
AB The effect of the choice of Reynolds-Averaged Navier-Stokes (RANS) type turbulence closure on the Computational Fluid Dynamics (CFD) prediction of convective heat losses from the Solar Two central receiver is considered in this paper for a simplified receiver geometry approximated by flat panels. Computed convective losses at steady state are similar to 2-3% (1%) of the total power absorbed by the receiver, at high (low) wind speed, depending on the turbulence model chosen. The simulation results are consistent with those of available correlations for rough cylinders, if the macroscopic roughness due to the panel edges is accounted for, as well as with the low speed experimental results, within the respective error bars. (C) 2013 R. Zanino. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/).
C1 [Zanino, R.; Bonifetto, R.; Richard, L. Savoldi] Politecn Torino, Dipartimento Energia, Cso Duca Abruzzi 24, I-10129 Turin, Italy.
[Christian, J. M.; 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 12
TC 0
Z9 0
U1 2
U2 4
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 569
EP 578
DI 10.1016/j.egypro.2014.03.061
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700059
ER
PT S
AU Andraka, CE
AF Andraka, C. E.
BE Pitchumani, R
TI Dish Stirling advanced latent storage feasibility
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE Dish Stirling; Storage; Phase Change Material; Feasibility; LCOE
AB Dish-Stirling systems have been demonstrated to provide high-efficiency solar-only electrical generation, holding the world record at 31.25%. This high efficiency results in a system with a high possibility of meeting the DOE SunShot goal of $0.06/kWh. Current dish-Stirling systems do not incorporate thermal storage. For the next generation of non-intermittent and cost-competitive solar power plants, we propose a thermal energy storage system that combines latent (phase-change) energy transport and latent energy storage in order to match the isothermal input requirements of Stirling engines while also maximizing the exergetic efficiency of the entire system.
This paper reports on the technical advantages and challenges of dish Stirling with storage, to make a preliminary estimate as to the technical feasibility of such a system. The proposed system with storage incorporates high temperature latent transport and latent storage, providing an exergetic match to the isothermal input of the Stirling cycle. The transport from the receiver to the storage, and from storage to the engine, is accomplished with advanced sodium heat pipes. The storage is in a solid-liquid phase change material (PCM), likely a metallic eutectic to reduce exergy losses in thermal conduction.
We model a dish Stirling system at a block level, using a combination of real data from several dish systems with and without heat pipe transport, and determine annual energy production and revenue streams based on Barstow California weather data and Southern California Edison Time of Day pricing. We optimize the system on solar multiple, capacity of storage, and several operational strategies.
We find that a storage system using metallic eutectic phase change storage results in a feasible physical embodiment, with mass, volume, and complexity suitable for 25kW(e) dish Stirling systems. The results indicate a system with 6 hours of storage and a solar multiple of 1.25 provides the optimum impact to LCOE and profit for the range of cases studied.
A storage system applied to dish Stirling will leverage the current high performance systems, increasing the value to the utilities and transmission entities. A feasible embodiment has been proposed, which with sufficient development will re-establish dish Stirling as a leading energy option. (C) 2013 Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/).
C1 Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Andraka, CE (reprint author), Sandia Natl Labs, PO 5800 MS 1127, Albuquerque, NM 87185 USA.
EM ceandra@sandia.gov
NR 13
TC 3
Z9 3
U1 0
U2 6
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 684
EP 693
DI 10.1016/j.egypro.2014.03.074
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700071
ER
PT S
AU Ehrhart, B
Gill, D
AF Ehrhart, B.
Gill, D.
BE Pitchumani, R
TI Evaluation of annual efficiencies of high temperature central receiver
concentrated solar power plants with thermal energy storage
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE Annual Efficiency; Central Receiver; Thermal Energy Storage; DELSOL;
SOLERGY; Molten Salt
AB The current study has examined four cases of a central receiver concentrated solar power plant with thermal energy storage using the DELSOL3 and SOLERGY computer codes. The current state-of-the-art base case was compared with a theoretical high temperature case, which was based on the scaling of some input parameters and the estimation of other parameters based on performance targets from the Department of Energy SunShot Initiative. This comparison was done for both current and high temperature cases in two configurations: a surround field with an external cylindrical receiver and a north field with a single cavity receiver. The optical designs for all four cases were done using the DELSOL3 computer code; the results were then passed to the SOLERGY computer code, which uses historical typical meteorological year (TMY) data to estimate the plant performance over the course of one year of operation. Each of the four cases was sized to produce 100 MWe of gross electric power, have sensible liquid thermal storage capacity to generate electric power at full rated production level for 6 hours, and have a solar multiple of 1.8.
There is a fairly dramatic difference between the design point and annual average performance. The largest differences are in the solar field and receiver subsystems, and also in energy losses due to the thermal energy storage being full to capacity. Another notable finding in the current study is the relatively small difference in annual average efficiencies between the Base and High Temperature cases. For both the Surround Field and North Field cases, the increase in annual solar to electric efficiency is < 2%, despite an increase in thermal to electric conversion efficiency of over 8%. The reasons for this include the increased thermal losses due to higher temperature operation and operational losses due to start-up and shut-down of plant sub-systems. Thermal energy storage can mitigate some of these losses by utilizing larger thermal energy storage to ensure that the electric power production system does not need to stop and re-start as often, but solar energy is inherently transient. Economic and cost considerations were not considered here, but will have a significant impact on solar thermal electric power production strategy and sizing. (C) 2013 D. Gill. Published by Elsevier Ltd.
C1 [Ehrhart, B.; Gill, D.] Sandia Natl Labs, Concentrated Solar Technol Grp, POB 5800, Albuquerque, NM 87185 USA.
[Ehrhart, B.] Univ Colorado, JSCBB, Dept Chem & Biol Engn, Boulder, CO 80309 USA.
RP Gill, D (reprint author), Sandia Natl Labs, Concentrated Solar Technol Grp, POB 5800, Albuquerque, NM 87185 USA.
EM ddgill@sandia.gov
RI Ehrhart, Brian/B-9432-2014
OI Ehrhart, Brian/0000-0002-7420-2540
FU Sandia Corporation; Lockheed Martin Corporation; U. S. Department of
Energy's National Nuclear Security Administration [DE- AC04- 94AL85000]
FX Sandia National Laboratories is a multi- program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U. S. Department of Energy's National
Nuclear Security Administration under contract DE- AC04- 94AL85000.
NR 13
TC 1
Z9 1
U1 1
U2 7
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 752
EP 761
DI 10.1016/j.egypro.2014.03.081
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700078
ER
PT S
AU Ehrhart, B
Coker, E
Siegel, N
Weimer, A
AF Ehrhart, B.
Coker, E.
Siegel, N.
Weimer, A.
BE Pitchumani, R
TI Thermochemical cycle of a mixed metal oxide for augmentation of thermal
energy storage in solid particles
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE Solar; Thermal energy storage; CSP; Thermochemical energy storage
AB Solid particle heat transfer and storage media have been shown to be able to operate at temperatures > 1000 degrees C in concentrated solar power (CSP) applications, much higher than the operational limit of 600 degrees C for current state-of-the-art molten nitrate salt heat transfer fluid. Solid particles can be endothermically reduced by direct exposure to concentrated solar energy, thus absorbing and storing thermal energy beyond that possible with sensible heating alone. The particles can then be oxidized exothermically at a later time, releasing the stored chemical heat and effectively augmenting the thermal energy storage capacity of the solid particles. A mixed metal oxide spinel material that reduces in the temperature range of interest (1000-1200 degrees C) has been examined for applicability to this thermochemical energy storage concept. A description of this application, prospective materials, and details of the thermochemical cycle are presented. The heats of reduction and oxidation for the thermochemical cycle have been determined for various operating conditions to evaluate the amount of thermal energy that may be stored. Various possible implementations of this augmented storage concept are considered, and alternate means of controlling the thermochemical cycle are explored. (C) 2013 The Authors. Published by Elsevier Ltd.
C1 [Ehrhart, B.; Weimer, A.] Univ Colorado, Dept Chem & Biol Engn, JSCBB, UCB 596, Boulder, CO 80309 USA.
[Coker, E.] Sandia Natl Labs, Concentrated Solar Technol Dept, POB 5800, Albuquerque, NM 87185 USA.
[Coker, E.] Sandia Natl Labs, Adv Mat Lab, POB 5800, Albuquerque, NM 87185 USA.
[Siegel, N.] Bucknell Univ, Department Mech Engn, Lewisburg, PA 17387 USA.
RP Weimer, A (reprint author), Univ Colorado, Dept Chem & Biol Engn, JSCBB, UCB 596, Boulder, CO 80309 USA.
EM alan.weimer@colorado.edu
RI Ehrhart, Brian/B-9432-2014
OI Ehrhart, Brian/0000-0002-7420-2540
FU Sandia Corporation; Lockheed Martin Corporation; U. S. Department of
Energy's National Nuclear Security Administration [DE-AC04-94AL85000]
FX Sandia National Laboratories is a multi- program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U. S. Department of Energy's National
Nuclear Security Administration under contract DE-AC04-94AL85000.
NR 16
TC 4
Z9 4
U1 1
U2 8
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 762
EP 771
DI 10.1016/j.egypro.2014.03.082
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700079
ER
PT S
AU Gill, D
Kolb, W
Briggs, R
AF Gill, D.
Kolb, W.
Briggs, R.
BE Pitchumani, R
TI An evaluation of pressure measurement technology and operating
performance using Sandia's molten salt test loop
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE Thermal Energy Storage; Molten Salt; Nitrate Salt; Pressure Measurement;
Test loop
ID HIGH-TEMPERATURE; FBG SENSOR
AB Sandia National Laboratories has recently completed the design, construction, commissioning, and initial operation of a Molten Salt Test Loop (MSTL) facility in Albuquerque, NM, USA. MSTL provides three parallel test loops for customers to evaluate new and existing technology in flowing molten nitrate salt at plant-like conditions of up to 70kg/s flow rate, 40bar pressure, and 300-585 degrees C temperature. The test loop furnace contains 40metric tons of 60% sodium nitrate /40% potassium nitrate salt that is pumped through the parallel test loops by a 9-stage, vertical turbine pump. The three parallel test legs provide locations that can accommodate small component tests such as flow instrumentation devices or valves to large solar collection systems for on-sun testing using molten nitrate salt. The system was designed with 1.4MW of heat removal capability -equivalent to the solar gain of a large aperture trough module.
During startup and commissioning of the system, the pressure transducers were identified as having a significant amount of thermally induced drift. This drift came from both diurnal ambient variations as well from operational heating from the process fluid. Exacerbating these difficulties is the requirement of MSTL that the pressure transducers operate over a wide temperature range in the course of a single test operation cycle. Sandia has taken steps to evaluate the pressure variation and to reduce this variation through temperature control. This work has greatly reduced the variability in the pressure transducers, but further improvements are on-going. The presentation will report on the efforts taken to reduce variability and the resulting performance of the transducer systems. In the course of describing the pressure transducer efforts, the system performance will also be presented along with some lessons-learned in the commissioning and startup of this test capability. (C) 2013 The Authors. Published by Elsevier Ltd
C1 [Gill, D.; Kolb, W.; Briggs, R.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Gill, D (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM ddgill@sandia.gov
NR 5
TC 0
Z9 0
U1 0
U2 1
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 800
EP 809
DI 10.1016/j.egypro.2014.03.087
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700083
ER
PT S
AU Kruizenga, A
Gill, D
AF Kruizenga, Alan
Gill, David
BE Pitchumani, R
TI Corrosion of iron stainless steels in molten nitrate salt
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE Austeneitic Steel; Molten Nitrate Salt; High Temperature Corrosion
AB Energy storage for concentrating solar power (CSP) is a major area of research that seeks to lower the levelized cost of electricity within the aggressive SunShot goals of 6 / kW-hrth[1-3]. One viable approach is sensible thermal energy storage (TES), which currently utilizes molten nitrate binary salt, stored at 575 C in the hot tank of a two tank system [4, 5]. Increasing the temperature limit within the hot tank requires a detailed understanding of materials corrosion behavior, in addition to salt thermal stability properties.
High temperature nickel based alloys are the logical choice for strength and corrosion resistance as elevated temperatures will increase corrosion kinetics, however, the cost of nickel based alloys are nearly four times more expensive than iron based steels [6]. For this reason iron based stainless steels, specifically 321SS and 347SS (nominally Fe-17Cr-9Ni), were chosen for investigation at several temperatures in nitrate salt. 316SS, an elementally similar alloy, was susceptible to stress corrosion cracking while tested at Solar Two [4]. It was suggested that alloys with stabilizing additions of niobium (347SS) or titanium (321SS) would mitigate this deleterious behavior.
Flat coupon samples were immersed in binary nitrate salts at temperatures of 400, 500, 600, and 680 degrees C, with air sparging on all tests. Samples were nominally removed at intervals of 500, 1000, 2000, and 3000 hours to acquire data on time varying weight gain information while simultaneously employing metallography to identify corrosion mechanisms occurring within the melt.
Corrosion rates varied dramatically with temperature according to an Arrhenius-type behavior. 347SS and 321SS had very little oxidation for 400 and 500 degrees C, indicative of a protective corrosion scale and low corrosion kinetics. Data at 600 degrees C showed that 321SS tended toward linear oxidation behavior based on oxide spallation which was observed on the samples upon removal.
Corrosion products at 500 degrees C had phases of iron oxide, with obvious chromium depletion as observed in energy dispersive spectroscopy (EDS) scans. 600 degrees C corrosion layers were primarily iron oxide with obvious phases of sodium ferrite on the outer surface. 680 degrees C marked an excessive rate of corrosion with metal loss in both alloys. Published by Elsevier Ltd.
C1 [Kruizenga, Alan] Sandia Natl Labs, POB 969, Livermore, CA 94551 USA.
[Gill, David] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Kruizenga, A (reprint author), Sandia Natl Labs, POB 969, Livermore, CA 94551 USA.
FU Sandia National Laboratories is a multi- program laboratory and Sandia
Corporation; U. S. Department of Energy's National Nuclear Security
Administration [DE- AC04- 94AL85000]; SAND [2013- 2627 A]
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, SAND
2013- 2627 A
NR 17
TC 5
Z9 5
U1 2
U2 22
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 878
EP 887
DI 10.1016/j.egypro.2014.03.095
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700091
ER
PT S
AU Ma, Z
Glatzmaier, GC
Mehos, M
AF Ma, Z.
Glatzmaier, G. C.
Mehos, M.
BE Pitchumani, R
TI Development of solid particle thermal energy storage for concentrating
solar power plants that use fluidized bed technology
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE Concentrating Solar Power; Thermal Energy Storage; Heat Transfer Fluid;
Gas/Solid Two-Phase Flow
AB The National Renewable Energy Laboratory is developing a thermal energy storage (TES) system that uses solid particles as the storage medium for a concentrating solar power plant. This paper focuses on the particle-TES performance in terms of three efficiency metrics: first-law efficiency, second-law efficiency, and storage effectiveness. The paper presents the derivation of the efficiency expression and their application in assessing the particle-TES performance and design. The particle-TES system uses low-cost stable materials that withstand high temperature at a fraction of the cost of the salt and metal containment vessels for high-temperature TES. Cost analysis indicates that particle TES costs less than $ 10/kWh(th), which is less than half the cost of the current molten-salt-based TES and just a fraction of liquid heat transfer fluid storage at a similar high temperature of > 700 degrees C, due to its low cost of storage medium and containment. The fluidized-bed TES can hold hot particles of > 800 degrees C with > 95% exergetic efficiency, storage effectiveness, and thermal efficiency. (C) 2013 Z. Ma. Published by Elsevier Ltd.
C1 [Ma, Z.; Glatzmaier, G. C.; Mehos, M.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Ma, Z (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM zhiwen.ma@nrel.gov
NR 18
TC 8
Z9 8
U1 0
U2 9
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 898
EP 907
DI 10.1016/j.egypro.2014.03.097
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700093
ER
PT S
AU Siegel, N
Gross, M
Ho, C
Phan, T
Yuan, J
AF Siegel, N.
Gross, M.
Ho, C.
Phan, T.
Yuan, J.
BE Pitchumani, R
TI Physical properties of solid particle thermal energy storage media for
concentrating solar power applications
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE Concentrating Solar Power; Thermal Energy Storage; Solid Particle
Receiver; Proppants
AB Solid ceramic particles have proven to be an effective heat transfer and thermal storage media for central receiver power production for a heat input temperature up to 1000 degrees C. In the directly illuminated solid particle receiver, a cascade of similar to 0.1-1 mm diameter particles is directly heated within a receiver cavity by concentrated solar energy. The efficiency of this approach, with respect to the energy balance on the receiver itself, is dependent on the physical properties of the particles. In this work, the radiative properties, solar weighted absorptance and thermal emittance, have been measured for several commercially available particle candidates both in the as-received state and after thermal exposure to simulate extended operation at elevated temperature in air between 700 degrees C-1000 degrees C. Heating the particles is shown to significantly reduce the solar weighted absorptance of as-received particles within 24 hours of exposure to air at 1000 degrees C, while heating at 700 degrees C in air has relatively little effect. In the as-received state, solar weighted absorptance can be as high as 93%, dropping to 84% after 192 hours at 1000 degrees C. Particle stability is better at 700 degrees C, and the solar absorptance remains above 92% after 192 hours of exposure. Analysis using x-ray diffraction (XRD) shows evidence of multiple chemical transformations in the sintered bauxite particle materials, which contain oxides of aluminum, silicon, titanium, and iron, following heating in air. However, the XRD spectra show only small differences between as-received and heat treated particles leaving open the possibility that the observed change in radiative properties results from a change in oxidation state without a concomitant phase change. Regardless of the specific degradation mechanism, the solar weighted absorptance of the particles can be increased beyond the as-received condition by chemically reducing the particles in forming gas (5% H-2 in N-2 or Ar) above 700 degrees C, providing a possible means of periodically rejuvenating degraded particles in situ. (C) 2013 The Authors. Published by Elsevier Ltd.
C1 [Siegel, N.; Gross, M.; Phan, T.] Bucknell Univ, 1 Dent Dr, Lewisburg, PA 17837 USA.
[Ho, C.; Yuan, J.] Sandia Natl Labs, Albuquerque, NM 87005 USA.
RP Siegel, N (reprint author), Bucknell Univ, 1 Dent Dr, Lewisburg, PA 17837 USA.
FU United States Department of Energy's SunShot Program
FX The authors wish to thank CARBO Ceramics for providing samples of
proppant media, and Dan Johnson, Brad Jordan, and Diane Hall for
assistance with the experimental portion of this work. This project is
funded by the United States Department of Energy's SunShot Program.
NR 15
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PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 1015
EP 1023
DI 10.1016/j.egypro.2014.03.109
PG 9
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700105
ER
PT S
AU Neises, T
Turchi, C
AF Neises, T.
Turchi, C.
BE Pitchumani, R
TI A comparison of supercritical carbon dioxide power cycle configurations
with an emphasis on CSP applications
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE Supercritical carbon dioxide power cycle; Partial cooling;
Recompression; CSP
AB Recent research suggests that an emerging power cycle technology using supercritical carbon dioxide (s-CO2) operated in a closed-loop Brayton cycle offers the potential of equivalent or higher cycle efficiency versus supercritical or superheated steam cycles at temperatures relevant for CSP applications. Preliminary design-point modeling suggests that s-CO2 cycle configurations can be devised that have similar overall efficiency but different temperature and/or pressure characteristics. This paper employs a more detailed heat exchanger model than previous work to compare the recompression and partial cooling cycles, two cycles with high design-point efficiencies, and illustrates the potential advantages of the latter. Integration of the cycles into CSP systems is studied, with a focus on sensible heat thermal storage and direct s-CO2 receivers. Results show the partial cooling cycle may offer a larger temperature difference across the primary heat exchanger, thereby potentially reducing heat exchanger cost and improving CSP receiver efficiency. (C) 2013 T. Neises. Published by Elsevier Ltd.
C1 [Neises, T.; Turchi, C.] NREL, Golden, CO 80401 USA.
RP Neises, T (reprint author), NREL, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM ty.neises@nrel.gov
NR 16
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U1 1
U2 5
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 1187
EP 1196
DI 10.1016/j.egypro.2014.03.128
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700123
ER
PT S
AU Eck, M
Hirsch, T
Feldhoff, JF
Kretschmann, D
Dersch, J
Morales, AG
Gonzalez-Martinez, L
Bachelier, C
Platzer, W
Riffelmann, KJ
Wagner, M
AF Eck, M.
Hirsch, T.
Feldhoff, J. F.
Kretschmann, D.
Dersch, J.
Morales, A. Gavilan
Gonzalez-Martinez, L.
Bachelier, C.
Platzer, W.
Riffelmann, K. -J.
Wagner, M.
BE Pitchumani, R
TI Guidelines for CSP yield analysis - optical losses of line focusing
systems; definitions, sensitivity analysis and modeling approaches
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE Solar thermal power plants; yield analysis; parabolic trough; linear
Fresnel collectors; optical efficiency; incidence angle modifier;
shading; end losses
AB Yield analysis is a crucial task during project deployment of solar thermal power plants. Currently, many different modeling approaches and computer tools for yield analysis are used. Within the SolarPACES project guiSmo, aiming at the development of guidelines for the annual yield prediction of solar thermal power plants, relevant effects for the steady-state modeling of plant sub-systems have been identified [1].
The target of the ongoing project phase is the development of general definitions for all relevant effects. Furthermore, suitable modeling approaches have to be identified and described unambiguously. For every effect, the impact on the predicted electricity yield is estimated in order to assess the significance of the considered effect. Since the most significant effects have to be considered in a subsequent uncertainty analysis, reasonable model and parameter uncertainties have to be defined, too. Finally, default model parameter for state-of-the-art components or subsystems will be edited.
Beside the present status of the project, this paper presents investigations on the effects of the optical losses of the sub-system collector field on the annual yield. These effects are namely the peak optical efficiency, incidence angle modifier (IAM), shading and end losses. For each effect, a precise definition is presented and relevant modeling approaches are identified and their pros and cons are discussed. To investigate the influence of these effects, a reference solar thermal power plant with parabolic troughs is defined. The annual yield is simulated for this reference system investigating the identified modeling approaches and assessing their significance. (C) 2013 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/)
C1 [Eck, M.] German Aerosp Ctr DLR, Inst Tech Thermodynam, Pfaffenwaldring 38-40, D-70569 Stuttgart, Germany.
[Hirsch, T.; Feldhoff, J. F.; Kretschmann, D.; Riffelmann, K. -J.] German Aerosp Ctr DLR, Inst Solar Res, D-70569 Stuttgart, Germany.
[Dersch, J.] German Aerosp Ctr DLR, Inst Solar Res, D-51147 Cologne, Germany.
[Morales, A. Gavilan] German Aerosp Ctr DLR, Inst Solar Res, D-51147 Cologne, Germany.
[Gonzalez-Martinez, L.] Ciemat, Madrid 28040, Spain.
[Bachelier, C.] Novatec Solar, Herrenstr 30, D-76133 Karlsruhe, Germany.
[Platzer, W.] Fraunhofer ISE, D-79110 Freiburg, Germany.
[Riffelmann, K. -J.] Flabeg GmbH, D-50678 Cologne, Germany.
[Wagner, M.] NREL, 1618 Cole Blvd, Golden, CO 80401 USA.
RP Eck, M (reprint author), German Aerosp Ctr DLR, Inst Tech Thermodynam, Pfaffenwaldring 38-40, D-70569 Stuttgart, Germany.
RI Gonzalez Martinez, Lourdes/L-7514-2014
OI Gonzalez Martinez, Lourdes/0000-0001-6140-3258
FU SolarPACES
FX The authors would like to thank SolarPACES for partially funding the
guiSmo project.
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U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 1318
EP 1327
DI 10.1016/j.egypro.2014.03.141
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700136
ER
PT S
AU Ho, C
Mehos, M
Turchi, C
Wagner, M
AF Ho, C.
Mehos, M.
Turchi, C.
Wagner, M.
BE Pitchumani, R
TI Probabilistic analysis of power tower systems to achieve SunShot goals
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE Concentrating solar power; probalistic modeling; uncertainty analysis;
SunShot
AB The U.S. Department of Energy's (DOE) SunShot goal seeks to reduce the levelized cost of energy (LCOE) for solar energy technologies to $0.06/kWh. A number of cost and technical performance targets for various concentrating solar power (CSP) components have been issued by the DOE to meet the SunShot goals for CSP. This paper presents probabilistic analyses of the LCOE for a 100 MWe power tower system with inherent cost and performance uncertainties. Previous results show that while CSP systems are likely to meet the cost target necessary to compete broadly in U. S. markets, there is a very low probability of reaching an LCOE of $ 0.06/kWh if parameter uncertainty distributions are used that range from current cost and performance values to the current DOE targets. This work investigates additional parameter distributions using new cost and technical targets to determine performance and cost scenarios for power tower systems that yield finite probabilities of achieving $ 0.06/kWh. Starting with the "baseline" uncertainty distributions, the minimum (or maximum) value for each uncertain parameter was "improved" by similar to 50% and similar to 75%. Results show that the probability of achieving an LCOE of $ 0.06/kWh increases to 15% and 46%, respectively, with these new cost and technical targets. (C) 2013 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/)
C1 [Ho, C.] Sandia Natl Labs, PO 5800, Albuquerque, NM 87185 USA.
[Mehos, M.; Turchi, C.; Wagner, M.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Ho, C (reprint author), Sandia Natl Labs, PO 5800, Albuquerque, NM 87185 USA.
EM ckho@sandia.gov
FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable
Energy Laboratory
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 U.S. Department of Energy under Contract No.
DE-AC36-08-GO28308 with the National Renewable Energy Laboratory.
NR 9
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U1 0
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PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 1410
EP 1419
DI 10.1016/j.egypro.2014.03.150
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700145
ER
PT S
AU Libby, C
Golden, J
Bedilion, R
Turchi, C
AF Libby, C.
Golden, J.
Bedilion, R.
Turchi, C.
BE Pitchumani, R
TI Assessment of direct steam generation technologies for solar thermal
augmented steam cycle applications
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE solar thermal; augment; hybrid; steam cycle
AB A conceptual design study was performed to quantitatively evaluate a range of solar augmented steam cycle design options for natural gas combined-cycle (NGCC) and pulverized coal power plants. Solar augmented steam cycle options were modeled for two direct steam generation (DSG) solar technologies: 500 degrees C line-focus (parabolic trough or linear Fresnel reflector) and 565 degrees C central receiver. Fossil-fuel power plant designs included NGCC with duct firing and subcritical pulverized coal. All of the conceptual designs utilized steam generated by a solar field to offset some of the fossil fuel required to generate power. The performance of multiple integration options was evaluated using thermodynamic models to provide a quantitative comparison of plant retrofit design options. Based on the available steam conditions for the DSG technologies and the results of past modeling studies, solar steam was assumed to be integrated with the main steam supply at the exit of the heat recovery steam generator superheater for the NGCC plant. For the pulverized coal plant, solar steam was integrated into the main steam header after the superheater. Steam integration at these high temperature points in the Rankine cycle is the most thermodynamically optimal design. For both plant types, feedwater was extracted from the boiler feedwater pump discharge. Using the thermodynamic analysis results, the solar augment potential across nearly half of the U. S. states was estimated for existing coal and gas plants that met certain age, solar resource, land availability and other criteria. The gigawatt (GW) deployment potential for DSG solar technologies was compared to the equivalent potentials for previously analyzed oil-based parabolic trough and molten salt central receiver technologies [ 1]. Solar use efficiency and plant heat rate improvement were the primary metrics used to compare the relative performance of the solar technology options. The deployment potentials were significant, particularly for the technologies with the highest solar steam temperatures. If line-focus DSG technologies can successfully achieve temperatures approaching 500 degrees C (932 degrees F), this study indicates that the solar augment potential is nearly double the capacity estimates for lower temperature troughs. Over 25 GW of solar augment capacity was estimated in the U.S. Compared to nominally 200 MW of worldwide solar augment capacity in operation today, the study indicated a considerable opportunity for solar augment applications to play a role in the total energy mix. (C) 2013 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/)
C1 [Libby, C.; Golden, J.; Bedilion, R.] Elect Power Res Inst, 3420 Hillview Ave, Palo Alto, CA 94304 USA.
[Turchi, C.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Libby, C (reprint author), Elect Power Res Inst, 3420 Hillview Ave, Palo Alto, CA 94304 USA.
EM clibby@epri.com
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PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 1420
EP 1428
DI 10.1016/j.egypro.2014.03.151
PG 9
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700146
ER
PT S
AU Olsen, ML
Warren, EL
Parilla, PA
Toberer, ES
Kennedy, CE
Snyder, GJ
Firdosy, SA
Nesmith, B
Zakutayev, A
Goodrich, A
Turchi, CS
Netter, J
Gray, MH
Ndione, PF
Tirawat, R
Baranowski, LL
Gray, A
Ginley, DS
AF Olsen, M. L.
Warren, E. L.
Parilla, P. A.
Toberer, E. S.
Kennedy, C. E.
Snyder, G. J.
Firdosy, S. A.
Nesmith, B.
Zakutayev, A.
Goodrich, A.
Turchi, C. S.
Netter, J.
Gray, M. H.
Ndione, P. F.
Tirawat, R.
Baranowski, L. L.
Gray, A.
Ginley, D. S.
BE Pitchumani, R
TI A high-temperature, high-efficiency solar thermoelectric generator
prototype
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE solar thermoelectric generators; solar-selective absorbers; solar
cavity-receivers; solid-state heat engines
AB Solar thermoelectric generators (STEGs) have the potential to convert solar energy at greater than 15% efficiency. This project investigates the system design, the necessary thermoelectric and optical technologies, and the economic feasibility of the STEG approach. A STEG is a solid-state heat engine that converts sunlight directly into DC electricity through the thermoelectric effect. STEGs consist of three subsystems: the solar absorber, the thermoelectric generator (TEG), and the heat management system (insulation, heat exchanger, vacuum enclosure, etc.). This project will integrate several state-of-the-art technologies to achieve high efficiency, including next-generation materials for TEGs, high-temperature solar-selective absorbers, and thermal cavities. We will test STEGs at NREL's high flux solar furnace (HFSF) and perform analysis of parasitic losses and lifetime analysis to optimize prototype operation. Equally important for this technology is the development of a cost model to determine the economic competitiveness and possible application niches for STEG technologies. We report on first-order economic analysis to identify the most promising pathways for advancing the technology. (C) 2013 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/)
C1 [Olsen, M. L.; Parilla, P. A.; Toberer, E. S.; Kennedy, C. E.; Zakutayev, A.; Goodrich, A.; Turchi, C. S.; Netter, J.; Gray, M. H.; Ndione, P. F.; Tirawat, R.; Gray, A.; Ginley, D. S.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Warren, E. L.; Toberer, E. S.; Baranowski, L. L.] Colorado Sch Mines, Golden, CO 80401 USA.
[Snyder, G. J.] CALTECH, Pasadena, CA 91125 USA.
[Firdosy, S. A.; Nesmith, B.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA.
RP Olsen, ML (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
RI Snyder, G. Jeffrey/E-4453-2011; Snyder, G/I-2263-2015;
OI Snyder, G. Jeffrey/0000-0003-1414-8682; Zakutayev,
Andriy/0000-0002-3054-5525
FU Advanced Research Projects Agency-Energy; U.S. Department of Energy
[DE-AR0670-4918]; NREL's [DE-AC36-08GO28308]
FX Funding for this project is provided by the Advanced Research Projects
Agency-Energy, U.S. Department of Energy, Award Number DE-AR0670-4918.
NREL's prime contract award number is DE-AC36-08GO28308. The authors
also thank A. Lewandowski for providing the HFSF SolTrace input file.
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PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 1460
EP 1469
DI 10.1016/j.egypro.2014.03.155
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700150
ER
PT S
AU Zang, CC
Christian, JM
Yuan, JK
Sment, J
Moya, AC
Ho, CK
Wang, ZF
AF Zang, C. C.
Christian, J. M.
Yuan, J. K.
Sment, J.
Moya, A. C.
Ho, C. K.
Wang, Z. F.
BE Pitchumani, R
TI Numerical simulation of wind loads and wind induced dynamic response of
heliostats
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE Heliostat; Numerical simulation of wind load; Dynamic response; Dominant
frequency
AB This paper presents a numerical simulation method for wind loads fluctuations on heliostats and analyzes the dynamic response of the heliostat which is compared with the tested data. Based on the tested wind data, the target spectrum of wind velocity was determined for the numerical simulation of wind velocity. The time history of wind velocity fluctuation was simulated using an Auto-Regressive (AR) mathematical model. Under the simulated wind velocity fluctuation, a modal and transient analysis was performed using the computational model of the heliostat in ANSYS to determine the dynamic response of the heliostat structure under the transient loads. In this paper, the directional deformation in the direction of wind load was obtained under the wind pressure fluctuation. Then, the deformation was converted to acceleration by differentiation using MATLAB. The simulated time history of acceleration was analyzed in the frequency domain and compared with the tested acceleration. For the simulated acceleration, the dominant frequency value of 3.16 Hz had the highest probability of occurrence. For the tested acceleration, the corresponding frequency was 3.18 Hz. These results demonstrate the wind-load simulation method and dynamic response analysis presented in this paper for heliostat performance analysis. In future work, methods for wind-load simulation or calculation should be explored to further improve the simulation accuracy. (C) 2013 The Authors. Published by Elsevier Ltd.
C1 [Zang, C. C.; Wang, Z. F.] Chinese Acad Sci, Key Lab Solar Thermal Energy & Photovolta Syst, Inst Elect Engn, 6 Beiertiao Zhongguancun, Beijing 100190, Peoples R China.
[Christian, J. M.; Yuan, J. K.; Sment, J.; Moya, A. C.; Ho, C. K.] Sandia Natl Labs, Concentrating Solar Technol Dept, Albuquerque, NM 87185 USA.
RP Zang, CC (reprint author), Chinese Acad Sci, Key Lab Solar Thermal Energy & Photovolta Syst, Inst Elect Engn, 6 Beiertiao Zhongguancun, Beijing 100190, Peoples R China.; Ho, CK (reprint author), Sandia Natl Labs, Concentrating Solar Technol Dept, Albuquerque, NM 87185 USA.
EM zangchch@mail.iee.ac.cn; ckho@sandia.gov
FU Sandia National Laboratories (SNL); Key Laboratory of Solar Thermal
Energy; Photovoltaic System of Chinese Academy of Sciences
FX The authors would like to thank Sandia National Laboratories (SNL) for
creating research conditions for this work and also thank Key Laboratory
of Solar Thermal Energy and Photovoltaic System of Chinese Academy of
Sciences for great supports. Special thanks will be given to the
reviewers of this paper for their work and time.
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PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 1582
EP 1591
DI 10.1016/j.egypro.2014.03.167
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700162
ER
PT S
AU Denholm, P
Wan, YH
Hummon, M
Mehos, M
AF Denholm, P.
Wan, Y-H.
Hummon, M.
Mehos, M.
BE Pitchumani, R
TI The value of CSP with thermal energy storage in the western United
States
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE concentraing solar power; thermal energy storage; grid integration
AB The value of electricity generation varies as a function of season, time of day, location, and the mix of conventional and renewable energy sources. The ability to control the output of a concentrating solar power (CSP) plant via the use of thermal energy storage (TES) creates the opportunity to maximize its value to the grid. This study performs a series of simulations of the grid in the western United States to determine how a CSP plant with TES might be dispatched to maximize its value when replacing conventional fossil fuel plants. The value of CSP with TES is compared to renewable generators without storage including PV. The study finds that TES adds value by timing CSP generation to periods when high marginal cost units would typically be generating. This includes periods of peak net demand in the summer, as well as periods where changes in demand require start-up and operation of high ramp-rate fossil generators. As a result, CSP with TES can avoid the least efficient generators, as well as avoid costly power plant starts. A significant source of value is the ability of CSP to provide operating reserves, requiring greater operation at part-load. This represents a potentially important opportunity for CSP plants, especially in high renewable scenarios where the requirements for reserves will increase. In addition to its operational value, the ability of CSP with TES to provide firm system capacity is also a quantifiable benefit and another important source of value. (C) 2013 M. Mehos. Published by Elsevier Ltd.
C1 [Denholm, P.; Wan, Y-H.; Hummon, M.; Mehos, M.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Mehos, M (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM paul.denholm@nrel.gov
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U1 1
U2 7
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PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 1622
EP 1631
DI 10.1016/j.egypro.2014.03.171
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700166
ER
PT S
AU Brown, D
Tegrotenhuis, W
Wegeng, R
Mankins, J
AF Brown, Daryl
Tegrotenhuis, Ward
Wegeng, Robert
Mankins, John
BE Pitchumani, R
TI Solar powered steam-methane reformer economics
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE solar; steam-methane reforming; cost; economic
AB With funding from the U. S. Department of Energy (DOE) and SolarThermoChemical LLC, PNNL is developing a solar-powered steam-methane reformer (SMR). The reformer sits at the focal point of a parabolic dish concentrator, with the concentrated solar energy providing the endothermic heat of reaction. The result is a syngas comprising mostly H-2 and CO with a heating value approximately 27% higher than the entering natural gas.
On-sun testing completed in 2013 achieved a solar-to-chemical energy conversion efficiency as high as 69%, based on the ratio of incremental chemical energy created to direct normal insolation striking the parabolic dish concentrator. Advanced designs are expected to improve upon this performance. Details regarding the design and performance of the solar reformer are presented elsewhere.
This paper describes the projected economics of the parabolic dish SMR system. The key metrics are the levelized cost of electricity for a modified, combined-cycle power plant that operates with natural gas or syngas from the dish SMR, and the levelized cost of chemical energy based on the incremental chemical energy produced in the SMR. The latter can be compared to the levelized cost of natural gas over the life of the solar-powered system. Initial capital and annual maintenance cost estimates for each system component are also presented. (C) 2013 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/).
C1 [Brown, Daryl; Tegrotenhuis, Ward; Wegeng, Robert] Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA.
[Mankins, John] SolarThermoChem LLC, Santa Maria, CA 94356 USA.
RP Brown, D (reprint author), Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA.
EM daryl.brown@pnnl.gov
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PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 1916
EP 1921
DI 10.1016/j.egypro.2014.03.203
PG 6
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700197
ER
PT S
AU Ermanoski, I
Siegel, N
AF Ermanoski, I.
Siegel, N.
BE Pitchumani, R
TI Annual average efficiency of a solar-thermochemical reactor
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE Solar fuels; thermochemical; hydrogen
AB We report on results regarding the annual average efficiency of a recuperating packed particle bed reactor for solar-thermochemical hydrogen production via a two-step metal oxide cycle, using detailed numerical models. The key findings are that reactor efficiency is substantially flat as a function of direct normal irradiance, leading to an annual average efficiency almost equal to the design-point efficiency, and that ample high quality waste heat is available to make standalone operation feasible, including feedstock water production. This conclusion has far-reaching implications for solar-thermochemical hydrogen and fuel production in general. (C) 2013 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/).
C1 [Ermanoski, I.] Sandia Natl Labs, Mat Devices & Energy Technol Dept, POB 5800,MS 1415, Albuquerque, NM 87185 USA.
[Siegel, N.] Bucknell Univ, Mech Engn Dept, Lewisburg, PA 17837 USA.
RP Ermanoski, I (reprint author), Sandia Natl Labs, Mat Devices & Energy Technol Dept, POB 5800,MS 1415, Albuquerque, NM 87185 USA.
EM iermano@sandia.gov
FU U.S. Department of Energy Fuel Cell Technologies Program via the Solar
Thermochemical Hydrogen ( STCH) directive; United States Department of
Energy's National Nuclear Security Administration [DE- AC04- 94AL85000]
FX This work was supported by the U.S. Department of Energy Fuel Cell
Technologies Program via the Solar Thermochemical Hydrogen ( STCH)
directive. Sandia is a multiprogram laboratory operated by Sandia
Corporation, a Lockheed Martin Company, for the United States Department
of Energy's National Nuclear Security Administration under Contract DE-
AC04- 94AL85000.
NR 3
TC 1
Z9 1
U1 0
U2 6
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 1932
EP 1939
DI 10.1016/j.egypro.2014.03.205
PG 8
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700199
ER
PT S
AU McDaniel, AH
Ambrosini, A
Coker, EN
Miller, JE
Chueh, WC
O'Hayre, R
Tong, J
AF McDaniel, A. H.
Ambrosini, A.
Coker, E. N.
Miller, J. E.
Chueh, W. C.
O'Hayre, R.
Tong, J.
BE Pitchumani, R
TI Nonstoichiometric perovskite oxides for solar thermochemical H-2 and CO
production
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE water splitting; carbon dioxide splitting; thermochemical cycle;
perovskite oxide
ID HYDROGEN-PRODUCTION; CYCLES; CERIA; FERRITES; H2O
AB Perovskite oxides (ABO(3)) are a largely unexplored class of materials in solar fuel applications. In this paper we examine the use of nonstoichiometric perovskite-type oxides in a two-step, solar-thermochemical water or carbon dioxide splitting cycle. We find that O-2 begins to evolve during thermal reduction from a Sr- and Mn-doped LaAlO3 fully 300 degrees C lower than that of CeO2, and that these compounds will split both H2O and CO2. The yield of H-2 and CO is significantly greater than CeO2, a benchmark material in solar fuels research, at a thermal reduction temperature 150 degrees C below that commonly reported for CeO2. In addition, the perovskite redox kinetics compare favorably to CeO2, which is known for its rapid reaction rates. We also find that an Fe-doped CaTiO3 is redox active and will split H2O, though the performance of this material is similar to that of CeO2. Finally, we introduce an experimental protocol that combines an ideal stagnation-flow reactor with detailed numerical modeling to effectively deconvolve intrinsic material behavior from interference induced by physical processes occurring inside the flow reactor. This method utilizes rate information contained within the entire time domain of the oxidation reaction, and assigns rate-governing processes to the material within the context of solid-state kinetic theory. (C) 2013 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/).
C1 [McDaniel, A. H.] Sandia Natl Labs, POB 969, Livermore, CA 94550 USA.
[Ambrosini, A.; Coker, E. N.; Miller, J. E.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Chueh, W. C.] Stanford Univ, Dept Mat Sci, Stanford, CA 94305 USA.
[O'Hayre, R.; Tong, J.] Colorado Sch Mines, Metallurg & Mat Engn, Golden, CO 80401 USA.
RP McDaniel, AH (reprint author), Sandia Natl Labs, POB 969, Livermore, CA 94550 USA.
RI Tong, Jianhua/C-8324-2016
OI Tong, Jianhua/0000-0002-0684-1658
FU Sandia National Laboratories Truman Fellowship in National Security
Science and Engineering; National Science Foundation MRSEC [DMR-
0820518]; United States Department of Energy's National Nuclear Security
Administration [DE- AC04- 94AL85000]; DOE Fuel Cell Technologies Office
FX Work at Sandia was supported by the DOE Fuel Cell Technologies Office as
part of the Production technology development area, and by Laboratory
Directed Research and Development at Sandia National Laboratories. W. C.
C. was supported by an appointment to the Sandia National Laboratories
Truman Fellowship in National Security Science and Engineering. Work
conducted at Colorado School of Mines was supported by the National
Science Foundation MRSEC program under grant No. DMR- 0820518. Sandia is
a multi- program laboratory operated by Sandia Corporation, a Lockheed
Martin Company, for the United States Department of Energy's National
Nuclear Security Administration under Contract DE- AC04- 94AL85000.
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U1 5
U2 34
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 2009
EP 2018
DI 10.1016/j.egypro.2014.03.213
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700207
ER
PT S
AU Miller, JE
Ambrosini, A
Coker, EN
Allendorf, MD
McDaniel, AH
AF Miller, J. E.
Ambrosini, A.
Coker, E. N.
Allendorf, M. D.
McDaniel, A. H.
BE Pitchumani, R
TI Advancing oxide materials for thermochemical production of solar fuels
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE metal oxides; thermochemical cycles; hydrogen; solar fuels
ID HYDROGEN-PRODUCTION; REDOX CYCLES; CO2; EFFICIENCY; METAL; ENERGY;
WATER; MN
AB Two-step metal-oxide based thermochemical cycles show great promise for the production of the synthetic fuel precursors CO and H-2 from CO2 and H2O, respectively. The basic properties that define an ideal material and key traits of the materials for successful implementation will be established. To the first level, an ideal material is defined by thermodynamic properties. The thermodynamics establish the conditions under which the reaction will proceed, and if it will, also define the upper efficiency limit of the process. The efficiency that is realized in practice is a function of the reaction extent and the reactor in which the process is implemented. The possible reaction extent is also limited by the thermodynamics, e. g. the temperature and oxygen partial pressure, but may also be limited by other factors such as thermal and mass transport. Transport, in turn, is influenced by fundamental material properties as well as by the reactor configuration and material geometry. Beyond these considerations, a suitable thermochemical material will be stable to physical and chemical degradation (e. g. erosion, volatilization, sintering, formation of undesirable phases, etc.) over many thousands of cycles and hours of operation. In light of this discussion possible routes to improved materials will be discussed including chemical modifications to known materials, improved structures, and the discovery of new materials for this application. Finally we will report results for new materials that have higher capacities (reaction extents) and faster reaction kinetics than the accepted state-of-the art materials for two step metal oxide thermochemical cycles evaluated under similar conditions. (C) 2013 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/).
C1 [Miller, J. E.; Ambrosini, A.; Coker, E. N.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Allendorf, M. D.; McDaniel, A. H.] Sandia Natl Labs, Livermore, CA 94550 USA.
RP Miller, JE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM jemille@sandia.gov
FU Laboratory Directed Research and Development program at Sandia National
Laboratories; United States Department of Energy's National Nuclear
Security Administration [DE- AC04- 94AL85000]
FX This work was supported in part by the Laboratory Directed Research and
Development program at Sandia National Laboratories. Sandia is a
multiprogram laboratory operated by Sandia Corporation, a Lockheed
Martin Company, for the United States Department of Energy's National
Nuclear Security Administration under Contract DE- AC04- 94AL85000.
NR 21
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Z9 6
U1 1
U2 16
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 2019
EP 2026
DI 10.1016/j.egypro.2014.03.214
PG 8
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700208
ER
PT S
AU Hogan, R
Pye, J
Ho, C
Smith, E
AF Hogan, Rachel
Pye, John
Ho, Clifford
Smith, Edward
BE Pitchumani, R
TI Uncertainty analysis of heliostat alignment at the Sandia solar field
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE solar thermal; heliostat; training data; numerical modelling; synthetic
data
AB Low-cost heliostats with open-loop tracking systems require careful calibration in order to track the sun accurately. This calibration can be done by mechanical adjustment, which increases the cost of both the components and commissioning, or it can be done automatically, using software, by 'learning' the various forms of misalignment present in a particular heliostat, and adjusting the pointing directions in order to cancel out the effect of those misalignments. A large set of training data will allow these corrections to be determined to quite high accuracy, and several of low-cost heliostat concepts have already been developed which make use of some form of this principle to reduce overall CSP system cost, though the methods used have not been thoroughly described in open literature.
The current study builds upon earlier work by Baheti and Scott (1980), Khalsa et al (2011) and Pye and Zhang (2012), to analyze the process of automated misalignment correction with the introduction of an uncertainty analysis applied to an experimental training data set. The accuracy of correction process from this experimental data is quantified, allowing a criterion to be applied to determine whether or not sufficient training has been completed for each heliostat to mean overall field accuracy requirements. To investigate the potential improvements from extended training, a synthetic data set is generated, and used to investigate preferred times of year and times of data for training specific heliostats in the field. Summer data is shown to be best, but the additional of some winter data is helpful. Time-of-day is also important, especially for the sides of the heliostat field; middle-of-the-day training and spring or autumn training are seen to be less effective. A training programme for the entire heliostat field is presented and discussed: each heliostat is trained daily in summer for two minutes, and daily in winter for one minute in the morning and evening, resulting in 95% certainty that all heliostats will have their focal spot within 1.5 m of the target for the entire year, by an entirely automated process. (C) 2013 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/).
C1 [Hogan, Rachel; Pye, John] Australian Natl Univ, Canberra, ACT, Australia.
[Ho, Clifford; Smith, Edward] Sandia Natl Labs, Albuquerque, NM USA.
RP Hogan, R (reprint author), Australian Natl Univ, Canberra, ACT, Australia.
NR 4
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Z9 0
U1 1
U2 3
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 2100
EP 2108
DI 10.1016/j.egypro.2014.03.222
PG 9
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700216
ER
PT S
AU Smith, EJ
Ho, CK
AF Smith, E. J.
Ho, C. K.
BE Pitchumani, R
TI Field demonstration of an automated heliostat tracking correction method
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE heliostat; tracking; error correction; error sources; error modeling;
mirror alignment
AB This study provides a demonstration of an eight-parameter heliostat tracking-error correction method applied to heliostats at the National Solar Thermal Test Facility at Sandia National Laboratories. This method models the non-random physical error sources that arise from imperfect mount fabrication and installation processes. Previous work demonstrated this method for a single heliostat over a one-month period [1]. This study extends the previous work by expanding the number of heliostats modeled and tested to over 200. The duration over which errors were collected and modeled spanned 7 months. Smaller subsets of heliostats were observed and tested over an even longer, 10 month period. Error data was obtained by bringing heliostat beams (one by one) to a surveyed target on the Solar Tower and recording the measured elevation and azimuthal offsets. Beam position was determined by the centroid of the intensity image. Using automated sequencing, we were able to limit the time to process a heliostat to similar to 32 seconds. This allowed us to process the entire 200 heliostat field in just 2 full days (weather permitting). These 2-day collections were performed about once every 2-3 months, to cover the full annual range of motion. All error data were automatically collected, time tagged and synchronized, in real-time. The error data were then converted, by a post-processor, to updated model parameters. The updated model data were subsequently uploaded to the heliostat field for model performance testing. In this way, almost 50,000 error observations were collected for 200 heliostats during the course of the study. In addition, 19,000 model performance observations were also recorded. Initial results indicate this method was able to halve the RMS average pointing error from 1.5 mrad to 0.78 mrad across the field of 200 heliostats. (C) 2013 The Authors. Published by Elsevier Ltd.
C1 [Ho, C. K.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Smith, E. J.] Sandia Staffing Alliance, Albuquerque, NM 87185 USA.
RP Ho, CK (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM ckho@sandia.gov
FU U. S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX Sandia National Laboratories is a multi-program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U. S. Department of Energy's National
Nuclear Security Administration under contract DE-AC04-94AL85000.
NR 3
TC 1
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U1 0
U2 2
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 2201
EP 2210
DI 10.1016/j.egypro.2014.03.233
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700227
ER
PT S
AU Casimiro, S
Cardoso, J
Alarcon-Padilla, DC
Turchi, C
Ioakimidis, C
Mendes, JF
AF Casimiro, Sergio
Cardoso, Joao
Alarcon-Padilla, Diego-Cesar
Turchi, Craig
Ioakimidis, Christos
Mendes, Joao Farinha
BE Pitchumani, R
TI Modeling multi effect distillation powered by CSP in TRNSYS
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE concentrating solar power; thermodynamic simulation; desalination; MED;
cogeneration; TRNSYS
AB This work presents the results of using a new tool to simulate the cogeneration of water and electricity with Concentrating Solar Power (CSP) and Forward Feed Multi-Effect-Desalination (FF-MED) plants, by adding a new functionality to the System Advisor Model (SAM) developed by the US National Renewable Energy Laboratory (NREL). The controlling strategy of the MED model is presented in detail, and a case study application is shown. This study compares the results obtained with a CSP plant operating in San Diego, CA, with four different cooling systems: an MED/Seawater Cooling Circuit (SWCC), dry cooling, wet cooling, and a SWCC standalone. The results show that the usage of an MED/SWCC system in cogeneration with a CSP plant can be feasible and has the potential to be economically interesting. (C) 2013 Sergio Casimiro. Published by Elsevier Ltd.
C1 [Casimiro, Sergio; Cardoso, Joao; Mendes, Joao Farinha] Lab Nacl Energia & Geol IP, Estr Paco do Lumiar 22, P-1649038 Lisbon, Portugal.
[Casimiro, Sergio] MIT Portugal Program, IST Tagus Park, P-2744016 Oporto, Portugal.
[Alarcon-Padilla, Diego-Cesar] CIEMAT Portugal Program, Tabernas 04200, Almeria, Spain.
[Ioakimidis, Christos] Natl Renewable Energy Lab, Concentrating Solar Power Program, Golden, CO 80401 USA.
[Ioakimidis, Christos] Univ Deusto, Bilbao 48007, Spain.
RP Casimiro, S (reprint author), Lab Nacl Energia & Geol IP, Estr Paco do Lumiar 22, P-1649038 Lisbon, Portugal.
EM sergio.casimiro@lneg.pt
RI LNEG, Producao Cientifica/D-2212-2012; Mendes, Joao/L-4307-2014;
Cardoso, Joao/L-4690-2014
FU Fundacao para a Ciencia e Tecnologia (FCT), Portugal [SFRH/ BD/
44969/2008]; Luso American Development Foundation (FLAD)
FX This work was supported by Fundacao para a Ciencia e Tecnologia (FCT),
Portugal, through SFRH/ BD/ 44969/2008 PhD grant, and by the Luso
American Development Foundation (FLAD). The author would like to thank
also: Eng. Carmelo Mineo, from Siciliacque S. p. A. and professor Andrea
Cipollina from Palermo University (UNIPA), Sicily, for technical insight
into a real commercial operational MED plant. Finally the author would
like to thank Kinetic Therm and Krting Hannover AG for information on
steam ejectors performance, and the EU Solar Facilities for the European
Research Area (SFERA) program for the access to the experimental MED
plant at PSA.
NR 9
TC 1
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PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 2241
EP 2250
DI 10.1016/j.egypro.2014.03.237
PG 10
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700231
ER
PT S
AU Dobos, A
Neises, T
Wagner, M
AF Dobos, A.
Neises, T.
Wagner, M.
BE Pitchumani, R
TI Advances in CSP simulation technology in the System Advisor Model
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE systems modeling; concentrating solar power simulation
AB The System Advisor Model (SAM) is modeling software for renewable energy systems developed by the National Renewable Energy Laboratory (NREL). SAM combines annual time series power production models with financial models to estimate the levelized cost of energy (LCOE) and other metrics for renewable energy projects. To date, SAM has utilized the general purpose commercial TRNSYS transient systems modeling software package for CSP simulations and originally PV and wind. To achieve: (1) significantly faster model performance, (2) easy parallelization of concurrent simulations to take advantage of modern multi-core processor desktop computers, (3) to allow straightforward modification of CSP component models in the SAM environment, and (4) ability to include CSP technologies in the SAM Software Development Kit (SDK), NREL has undertaken to reformulate the CSP models into a new transient simulation framework written in C++, by NREL. This framework is tailored specifically for use in SAM and not for general purpose modeling like TRNSYS. Preliminary results show excellent matching with the accepted TRNSYS-based models, as well as an order of magnitude reduction in simulation time for certain models. These runtime reductions enable larger scale plant configuration analysis, as well as grid-integration studies that require many thousands of simulations. (C) 2013 The Authors. Published by Elsevier Ltd.
C1 [Dobos, A.; Neises, T.; Wagner, M.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Dobos, A (reprint author), Natl Renewable Energy Lab, 15031 Denver West Pkwy, Golden, CO 80401 USA.
NR 10
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U1 1
U2 4
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 2482
EP 2489
DI 10.1016/j.egypro.2014.03.263
PG 8
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700257
ER
PT S
AU Murphy, DJ
O'Connor, BL
Mayhorn, DT
Almer, LI
Bowen, EE
White, EM
Kim, C
AF Murphy, D. J.
O'Connor, B. L.
Mayhorn, D. T.
Almer, L. I.
Bowen, E. E.
White, E. M.
Kim, C.
BE Pitchumani, R
TI Alternative water resources for utility-scale solar energy development
SO PROCEEDINGS OF THE SOLARPACES 2013 INTERNATIONAL CONFERENCE
SE Energy Procedia
LA English
DT Proceedings Paper
CT International Conference of the SolarPACES
CY SEP 17-20, 2013
CL Las Vegas, NE
SP SolarPACES
DE alternative water; solar enery zone; competitive energy zone;
utility-scale solar energy; solar energy; water demand
AB Electricity generated from solar energy continues to increase throughout the United States, and several states in the southwestern United States are interested in the development of utility-scale solar energy to meet their established renewable energy portfolios. Water use by utility-scale solar facilities can be quite significant for some technologies, however, which is problematic considering that the best location for solar energy development-the southwestern United States-tends to be an arid environment. The goal of this study was to examine the feasibility of using alternative water resources (reclaimed wastewater and produced water in this study) to meet water demands for utility-scale solar energy development, focusing specifically on Solar Energy Zones (SEZs) and Competitive Renewable Energy Zones (CREZs). Our results indicate that, on average, 100% of the projected demand for water at most SEZs and CREZs could be met by reclaimed wastewater if photovoltaics (PV) are installed. If concentrating solar power (CSP) is installed, fewer SEZs could meet their potential water demand from alternative sources. Only 10 of the CREZs were located near sources of produced water, but of those, 100% of the water demand at the CREZ was met in 8 cases, regardless of the technology installed. Overall, the results from this analysis indicate that alternative waters can play a prominent role in meeting water demand at solar zones in the arid southwest. (C) 2013 The Authors. Published by Elsevier Ltd.
C1 [Murphy, D. J.; O'Connor, B. L.; Mayhorn, D. T.; Almer, L. I.; Bowen, E. E.; White, E. M.; Kim, C.] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA.
RP Murphy, DJ (reprint author), Argonne Natl Lab, Div Environm Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM djmurphy@anl.gov
NR 13
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U1 1
U2 3
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 49
BP 2501
EP 2511
DI 10.1016/j.egypro.2014.03.265
PG 11
WC Energy & Fuels; Engineering, Mechanical
SC Energy & Fuels; Engineering
GA BB0VC
UT WOS:000340733700259
ER
PT J
AU Bierbaum, RL
Diegert, KV
Hamada, MS
Huzurbazar, AV
Robertson, AA
AF Bierbaum, R. L.
Diegert, K. V.
Hamada, M. S.
Huzurbazar, A. V.
Robertson, A. A.
TI Using Statistical Methods to Assess a Surveillance Program
SO QUALITY ENGINEERING
LA English
DT Article
DE Bayesian; binomial; capability index; confidence; hypergeometric;
hypothesis tests; normal distribution; power; probability; random
sample; simple linear regression; risk; tolerance bound
ID CAPABILITY INDEXES
AB Three metrics have been been developed to assess the National Nuclear Security Agency (NNSA) Surveillance Program against its objectives of detecting defects, determining margins and validating predictions. The surveillance metrics use statistical methods and are probabilities or confidences that produce quantitive assessments on a 0 to 1 scale-from no confidence that a given data stream achieves its surveillance program objectives to complete confidence that the data stream fulfills the objectives. These metrics may be compared and rolled up to support NNSA Surveillance Program management decisions.
C1 [Bierbaum, R. L.; Robertson, A. A.] Sandia Natl Labs, Livermore, CA USA.
[Diegert, K. V.] Sandia Natl Labs, Albuquerque, NM USA.
[Hamada, M. S.; Huzurbazar, A. V.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Hamada, MS (reprint author), Los Alamos Natl Lab, Stat Sci Grp, POB 1663, Los Alamos, NM 87545 USA.
EM hamada@lanl.gov
NR 4
TC 1
Z9 1
U1 1
U2 3
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 CHESTNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0898-2112
EI 1532-4222
J9 QUAL ENG
JI Qual. Eng.
PY 2014
VL 26
IS 4
BP 416
EP 423
DI 10.1080/08982112.2013.872795
PG 8
WC Engineering, Industrial; Statistics & Probability
SC Engineering; Mathematics
GA AO2FW
UT WOS:000341133700004
ER
PT J
AU Lu, L
Robinson, TJ
Anderson-Cook, CM
AF Lu, Lu
Robinson, Timothy J.
Anderson-Cook, Christine M.
TI A Case Study to Select an Optimal Split-Plot Design for a
Mixture-Process Experiment Based on Multiple Objectives
SO QUALITY ENGINEERING
LA English
DT Article
DE computer-generated designs; restricted randomization; multiple design
criteria; design optimization; D-optimality; cost; Pareto front; point
exchange search algorithm
ID RESPONSE-SURFACE DESIGN; PARETO FRONTIER; OPTIMIZATION; CRITERIA
AB With increasingly constrained budgets, it is now becoming more desirable to get more information from each experiment and to have an intentional strategy for selecting designs for split-plot experiments that balance multiple competing objectives. Lu and Anderson-Cook (2014) developed a decision-making process for selecting an optimal split-plot design (SPD) for flexible objectives/criteria based on a Pareto front. The method allows exploration of all contending non-inferior choices with their trade-offs to enable an informed and justifiable decision based on understanding the potential impact of subjective aspects. This article considers a case study of a mixture-process experiment that seeks an SPD with a good balance of precise model coefficient estimates as measured by D-efficiency and low experimental cost, which is a function of both the time required to run the experiment as well as the financial cost. The D-efficiency is a function of the whole plot-to-subplot error variance ratio, a quantity that is typically not known a priori when the choice of a design must be made. The Pareto front approach is applied and graphical tools are used to quantify the trade-offs between criteria and robustness of design performance to different user-selected preferences for the criteria. A substantially different pattern of design performance robustness to the uncertainty of the specified variance ratio is demonstrated compared to non-mixture experiments.
C1 [Lu, Lu] Univ S Florida, Dept Math & Stat, Tampa, FL USA.
[Robinson, Timothy J.] Univ Wyoming, WWAMI Med Educ Program, Laramie, WY 82071 USA.
[Robinson, Timothy J.] Univ Wyoming, Dept Stat, Laramie, WY 82071 USA.
[Anderson-Cook, Christine M.] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA.
RP Anderson-Cook, CM (reprint author), Los Alamos Natl Lab, Stat Sci Grp, POB 1663,MS F600, Los Alamos, NM 87545 USA.
EM tjrobin@uwyo.edu; c-and-cook@lanl.gov
NR 32
TC 2
Z9 2
U1 0
U2 1
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0898-2112
EI 1532-4222
J9 QUAL ENG
JI Qual. Eng.
PY 2014
VL 26
IS 4
BP 424
EP 439
DI 10.1080/08982112.2014.887102
PG 16
WC Engineering, Industrial; Statistics & Probability
SC Engineering; Mathematics
GA AO2FW
UT WOS:000341133700005
ER
PT J
AU Hamada, MS
Warr, RL
AF Hamada, M. S.
Warr, R. L.
TI Analyzing Deficient Response Summaries from Designed Experiments
SO QUALITY ENGINEERING
LA English
DT Article
DE Bayesian inference; EULER algorithm; Euler's formula; fractional
factorial design; Laplace transform; lifetime; lognormal; reliability;
robust design; sufficient statistics; sum of i.i.d. random variables
AB All too often statisticians do not have access to raw experimental data. These scenarios require additional methodology to properly account for the missing information. In this article, we demonstrate a technique for analyzing averages of lifetime data collected at various experimental conditions that provides inference for factor effects. To handle these summaries, we use some numerical techniques to calculate the probability density function of the average of n independent and identically distributed lognormal random variables. We illustrate our method with an example from the literature and provide some R code that implements a Bayesian analysis. We also provide recommendations for more informative summary statistics than lifetime averages for lognormal data.
C1 [Hamada, M. S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Warr, R. L.] Air Force Inst Technol, Dept Math & Stat, Dayton, OH USA.
RP Hamada, MS (reprint author), Los Alamos Natl Lab, Stat Sci Grp, POB 1663, Los Alamos, NM 87545 USA.
EM hamada@lanl.gov
NR 10
TC 0
Z9 0
U1 1
U2 2
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 CHESTNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0898-2112
EI 1532-4222
J9 QUAL ENG
JI Qual. Eng.
PY 2014
VL 26
IS 4
BP 440
EP 449
DI 10.1080/08982112.2014.887103
PG 10
WC Engineering, Industrial; Statistics & Probability
SC Engineering; Mathematics
GA AO2FW
UT WOS:000341133700006
ER
PT J
AU Chen, RQ
Zhang, CQ
Kessler, MR
AF Chen, Ruqi
Zhang, Chaoqun
Kessler, Michael R.
TI Anionic waterborne polyurethane dispersion from a bio-based ionic
segment
SO RSC ADVANCES
LA English
DT Article
ID EPOXIDIZED SOYBEAN OIL; SOY-BASED POLYOLS; POLYMERIZATION; NETWORKS;
HYDROFORMYLATION; COATINGS; GLYCOL
AB Anionic waterborne polyurethane dispersions were prepared from ring-opening epoxidized linseed oil with glycol and hydrochloric acid followed by saponification, step-growth polymerization, and ionomerization. When the intermediate bio-based polyhydroxy fatty acid has an OH functionality of 4.8, the fatty acid can crosslink, and its carboxylic groups are able to provide surface charge for the stabilization of the resulting polymer in the water phase. Two novel anionic waterborne polyurethane dispersions, one with and one without additional castor oil, were successfully prepared and compared to a conventional control sample. Films from the polyurethane dispersions were obtained by casting the dispersions into molds and subsequently characterized by differential scanning calorimetry, dynamic mechanical analysis, ethanol absorption and uptake, thermogravimetric analysis, and tensile stress-strain tests. The castor oil containing polymer displayed a decrease in glass transition temperature, tensile strength, and Young's modulus, but an increase in elongation compared to the control sample. The sample without the castor oil behaved like a brittle, glassy material with higher Young's modulus and lower ductility because of its relatively high crosslinking density. This work proves the viability of incorporating vegetable-oil based polyhydroxy fatty acids as ionic segments into anionic waterborne polyurethane dispersions.
C1 [Chen, Ruqi; Zhang, Chaoqun; Kessler, Michael R.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
[Kessler, Michael R.] Iowa State Univ, Dept Mech Engn, Ames, IA USA.
[Kessler, Michael R.] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.
[Kessler, Michael R.] US DOE, Ames Lab, Ames, IA USA.
RP Kessler, MR (reprint author), Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
EM MichaelR.Kessler@wsu.edu
RI Kessler, Michael/C-3153-2008
OI Kessler, Michael/0000-0001-8436-3447
NR 33
TC 7
Z9 7
U1 3
U2 40
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 2014
VL 4
IS 67
BP 35476
EP 35483
DI 10.1039/c4ra07519f
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA AO4ED
UT WOS:000341288100025
ER
PT J
AU Ponrouch, A
Cabana, J
Dugas, R
Slack, JL
Palacin, MR
AF Ponrouch, Alexandre
Cabana, Jordi
Dugas, Romain
Slack, Jonathan L.
Rosa Palacin, M.
TI Electroanalytical study of the viability of conversion reactions as
energy storage mechanisms
SO RSC ADVANCES
LA English
DT Article
ID LI-ION BATTERIES; ELECTRODE MATERIALS; LITHIUM STORAGE; ORIGIN;
CAPACITY; HYSTERESIS; TRANSPORT; FLUORIDE; CELLS; ANODE
AB Storing electrochemical energy by means of fully reducing transition metal compounds to their metallic state is attractive due to the large amounts of charge that are produced. However, while more reversible than originally envisioned, electrochemical conversion reactions are accompanied by large inefficiencies. These inefficiencies are associated with hysteresis between the potentials of reduction and re-oxidation, as well as the loss of capacity when reversing back to the initial state. This work presents a series of results collected from different kinds of electroanalytical experiments. The use of data from conventional powder electrodes as well as thin films offered the opportunity to compare measurements of common occurrence in the literature with more sophisticated experiments carried out at higher temperature, which provided a complete picture of the kinetic nature of the processes involved. This picture is supportive of the thermodynamic nature of potential hysteresis, and indicates that coulombic inefficiencies stem from the low reversibility of the conversion reaction. Taken together, the results cast a clear light on the significant challenges that lie ahead if this kind of reactivity is to become technologically relevant in devices such as Li-ion batteries.
C1 [Ponrouch, Alexandre; Dugas, Romain; Rosa Palacin, M.] ICMAB CSIC, Inst Ciencia Mat Barcelona, E-08193 Bellaterra, Catalonia, Spain.
[Cabana, Jordi] Univ Illinois, Dept Chem, Chicago, IL 60607 USA.
[Cabana, Jordi; Slack, Jonathan L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
RP Palacin, MR (reprint author), ICMAB CSIC, Inst Ciencia Mat Barcelona, Campus UAB, E-08193 Bellaterra, Catalonia, Spain.
EM jcabana@uic.edu; rosa.palacin@icmab.es
RI Cabana, Jordi/G-6548-2012; Palacin, Maria Rosa/H-2163-2012
OI Cabana, Jordi/0000-0002-2353-5986; Palacin, Maria
Rosa/0000-0001-7351-2005
FU Assistant Secretary for Energy Efficiency and Renewable Energy, Office
of Vehicle Technologies of the U.S. Department of Energy (DOE)
[DE-AC02-05CH11231]; College of Liberal Arts and Sciences; Ministerio de
Ciencia e Innovacion (Spain) [MAT2011-24757]
FX The work at Lawrence Berkeley National Laboratory was supported by the
Assistant Secretary for Energy Efficiency and Renewable Energy, Office
of Vehicle Technologies of the U.S. Department of Energy (DOE) under
Contract no. DE-AC02-05CH11231, as part of the Batteries for Advanced
Transportation Technologies (BATT) Program. Data analysis was carried
out by JC at the University of Illinois at Chicago with support from
internal start-up funds provided by the College of Liberal Arts and
Sciences. ICMAB-CSIC researchers acknowledge funding through Ministerio
de Ciencia e Innovacion (Spain) MAT2011-24757.
NR 28
TC 12
Z9 12
U1 3
U2 27
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 2014
VL 4
IS 68
BP 35988
EP 35996
DI 10.1039/c4ra05189k
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA AO4EH
UT WOS:000341288500018
ER
PT J
AU Schone, R
Treibig, J
Dolz, MF
Guillen, C
Navarrete, C
Knobloch, M
Rountree, B
AF Schoene, Robert
Treibig, Jan
Dolz, Manuel F.
Guillen, Carla
Navarrete, Carmen
Knobloch, Michael
Rountree, Barry
TI Tools and methods for measuring and tuning the energy efficiency of HPC
systems
SO SCIENTIFIC PROGRAMMING
LA English
DT Article
DE Energy efficiency; energy and performance measurement; HPC; high
performance computing; energy optimization tools; energy models;
energy-efficiency tuning
ID PERFORMANCE ANALYSIS
AB Energy costs nowadays represent a significant share of the total costs of ownership of High Performance Computing (HPC) systems. In this paper we provide an overview on different aspects of energy efficiency measurement and optimization. This includes metrics that define energy efficiency and a description of common power and energy measurement tools. We discuss performance measurement and analysis suites that use these tools and provide users the possibility to analyze energy efficiency weaknesses in their code. We also demonstrate how the obtained power and performance data can be used to locate inefficient resource usage or to create a model to predict optimal operation points. We further present interfaces in these suites that allow an automated tuning for energy efficiency and how these interfaces are used. We finally discuss how a hard power limit will change our view on energy efficient HPC in the future.
C1 [Schoene, Robert] Tech Univ Dresden, Ctr Informat Serv & High Performance Comp ZIH, D-01062 Dresden, Germany.
[Treibig, Jan] Univ Erlangen Nurnberg, Erlangen Reg Comp Ctr, D-91054 Erlangen, Germany.
[Dolz, Manuel F.] Univ Hamburg, Dept Informat, Hamburg, Germany.
[Guillen, Carla; Navarrete, Carmen] Bayer Akad Wissensch, Leibniz Rechenzentrum LRZ, Munich, Germany.
[Knobloch, Michael] Forschungszentrum Julich, Julich Supercomp Ctr, D-52425 Julich, Germany.
[Rountree, Barry] Lawrence Livermore Natl Lab, Ctr Appl Sci Computat, Livermore, CA USA.
RP Schone, R (reprint author), Tech Univ Dresden, Ctr Informat Serv & High Performance Comp ZIH, D-01062 Dresden, Germany.
EM robert.schoene@tu-dresden.de; jan.treibig@fau.de;
manuel.dolz@informatik.uni-hamburg.de; carla.guillen@lrz.de;
carmen.navarrete@lrz.de; m.knobloch@fz-juelich.de; rountree@llnl.gov
RI Dolz, Manuel/L-2844-2014
FU Bundesministerium fur Bildung und Forschung via the research project
CoolSilicon [BMBF 13N10186]; Bundesministerium fur Bildung und Forschung
via the research project Score-E [BMBF 01IH13001C]; Bundesministerium
fur Bildung und Forschung via the research project FEPA [BMBF 01IH1300
9A]; European projects [FP7-318793, FP7-ICT-2011-7]; state of
North-Rhine Westphalia ("Anschubfinanzierung zum Aufbau des Exascale
Innovation Center (EIC)"
FX This work has been funded by the Bundesministerium fur Bildung und
Forschung via the research projects CoolSilicon (BMBF 13N10186), Score-E
(BMBF 01IH13001C) and FEPA (BMBF 01IH1300 9A) and the European projects
FP7-318793 "Exa2 Green" and FP7-ICT-2011-7 "AutoTune". Further funding
was received from the state of North-Rhine Westphalia
("Anschubfinanzierung zum Aufbau des Exascale Innovation Center (EIC)").
NR 52
TC 3
Z9 3
U1 1
U2 3
PU HINDAWI LTD
PI LONDON
PA ADAM HOUSE, 3RD FLR, 1 FITZROY SQ, LONDON, WIT 5HE, ENGLAND
SN 1058-9244
EI 1875-919X
J9 SCI PROGRAMMING-NETH
JI Sci. Program.
PY 2014
VL 22
IS 4
BP 273
EP 283
DI 10.3233/SPR-140393
PG 11
WC Computer Science, Software Engineering
SC Computer Science
GA AN5QT
UT WOS:000340647100003
ER
PT B
AU Hill, JF
Johnson, SD
Borrion, H
AF Hill, Joanna F.
Johnson, Shane D.
Borrion, Herve
BE Lemieux, AM
TI Potential uses of computer agent-based simulation modelling in the
evaluation of wildlife poaching
SO SITUATIONAL PREVENTION OF POACHING
SE Crime Science Series
LA English
DT Article; Book Chapter
ID ROUTINE ACTIVITY APPROACH; NATIONAL-PARK; PATTERNS; IMPACTS; CRIME;
POPULATIONS; ECOLOGY; FORESTS; KENYA
C1 [Hill, Joanna F.] UCL, UCL Secur Sci Doctoral Res Training Ctr UCL SECRe, London WC1E 6BT, England.
[Hill, Joanna F.] UCLs Agent Based Modelling Working Grp, London, England.
[Johnson, Shane D.] UCL, UCL Dept Secur & Crime Sci, London WC1E 6BT, England.
[Borrion, Herve] UCLs Secur Res Training Ctr, London, England.
[Borrion, Herve] Los Alamos Natl Lab, Los Alamos, NM USA.
[Borrion, Herve] Univ Cape Town, ZA-7700 Rondebosch, South Africa.
[Borrion, Herve] Tsinghua Univ, Beijing, Peoples R China.
[Borrion, Herve] UK Natl Environm Crime Conf, London, England.
RP Hill, JF (reprint author), UCL, UCL Secur Sci Doctoral Res Training Ctr UCL SECRe, London WC1E 6BT, England.
NR 56
TC 2
Z9 2
U1 0
U2 3
PU ROUTLEDGE
PI ABINGDON
PA 2 PARK SQ, MILTON PARK, ABINGDON OX14 4RN, OXFORD, ENGLAND
BN 978-0-203-09452-5; 978-0-415-63434-2
J9 CRIM SCI SER
PY 2014
VL 15
BP 120
EP 153
PG 34
WC Criminology & Penology; Veterinary Sciences
SC Criminology & Penology; Veterinary Sciences
GA BB1AT
UT WOS:000340924100008
ER
PT J
AU Asada, M
Jiang, NS
Sendogdular, L
Sokolov, J
Endoh, MK
Koga, T
Fukuto, M
Yang, L
Akgun, B
Dimitrioug, M
Satija, S
AF Asada, Mitsunori
Jiang, Naisheng
Sendogdular, Levent
Sokolov, Jonathan
Endoh, Maya K.
Koga, Tadanori
Fukuto, Masafumi
Yang, Lin
Akgun, Bulent
Dimitrioug, Michael
Satija, Sushil
TI Melt crystallization/dewetting of ultrathin PEO films via carbon dioxide
annealing: the effects of polymer adsorbed layers
SO SOFT MATTER
LA English
DT Article
ID GLASS-TRANSITION TEMPERATURE; THIN-FILMS; POLY(METHYL METHACRYLATE);
BULK BEHAVIOR; STRUCTURAL RELAXATION; NEUTRON REFLECTIVITY;
SUPERCRITICAL FLUIDS; POLY(ETHYLENE OXIDE); QUASI-2 DIMENSIONS; ELEVATED
PRESSURES
AB The effects of CO2 annealing on the melting and subsequent melt crystallization processes of spin-cast poly(ethylene oxide) (PEO) ultrathin films (20-100 nm in thickness) prepared on Si substrates were investigated. By using in situ neutron reflectivity, we found that all the PEO thin films show melting at a pressure as low as P = 2.9 MPa and at T 48 degrees C which is below the bulk melting temperature (T-m). The films were then subjected to quick depressurization to atmospheric pressure, resulting in the non-equilibrium swollen state, and the melt crystallization (and/or dewetting) process was carried out in air via subsequent annealing at given temperatures below T-m. Detailed structural characterization using grazing incidence X-ray diffraction, atomic force microscopy, and polarized optical microscopy revealed two unique aspects of the CO2-treated PEO films: (i) a flat-on lamellar orientation, where the molecular chains stand normal to the film surface, is formed within the entire film regardless of the original film thickness and the annealing temperature; and (ii) the dewetting kinetics for the 20 nm thick film is much slower than that for the thicker films. The key to these phenomena is the formation of irreversibly adsorbed layers on the substrates during the CO2 annealing: the limited plasticization effect of CO2 at the polymer-substrate interface promotes polymer adsorption rather than melting. Here we explain the mechanisms of the melt crystallization and dewetting processes where the adsorbed layers play vital roles.
C1 [Asada, Mitsunori; Jiang, Naisheng; Sendogdular, Levent; Sokolov, Jonathan; Endoh, Maya K.; Koga, Tadanori] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA.
[Asada, Mitsunori] Kuraray Co Ltd, Kurashiki Res Ctr, Kurashiki, Okayama 7100801, Japan.
[Koga, Tadanori] SUNY Stony Brook, Chem & Mol Engn Program, Stony Brook, NY 11794 USA.
[Koga, Tadanori] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
[Fukuto, Masafumi] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
[Fukuto, Masafumi; Yang, Lin] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
[Akgun, Bulent; Dimitrioug, Michael; Satija, Sushil] Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA.
[Akgun, Bulent] Bogazici Univ, Dept Chem, TR-343429 Istanbul, Turkey.
RP Koga, T (reprint author), SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA.
EM tadanori.koga@stonybrook.edu
RI Koga, Tadanori/A-4007-2010; Akgun, Bulent/H-3798-2011
FU NSF [CMMI-084626]; Kuraray Co., Ltd, Japan; US Department of Energy,
Office of Basic Energy Sciences, Division of Materials Sciences and
Engineering [DE-AC02-98CH10886]; US Department of Energy, Office of
Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]
FX We acknowledge Dongcui Li and the Bio-Imaging Center at the Delaware
Biotechnology Institute for some of the AFM experiments. We also thank
Steve Bennett for the XR measurements. T. K. acknowledges partial
financial support from a NSF grant (CMMI-084626) and from Kuraray Co.,
Ltd, Japan. The work by M. F. was supported by the US Department of
Energy, Office of Basic Energy Sciences, Division of Materials Sciences
and Engineering under contract no. DE-AC02-98CH10886. Use of the
National Synchrotron Light Source was supported by the US Department of
Energy, Office of Science, Office of Basic Energy Sciences, under
contracts no. DE-AC02-98CH10886. Some of the GID experiments were
performed at the BL03XU in the SPring-8 with the approval of JASRI
(proposal no. 2013A7206).
NR 87
TC 11
Z9 11
U1 6
U2 45
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 2014
VL 10
IS 34
BP 6392
EP 6403
DI 10.1039/c4sm00683f
PG 12
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA AO0TO
UT WOS:000341025400004
PM 24930998
ER
PT J
AU Hedges, LO
Mannige, RV
Whitelam, S
AF Hedges, Lester O.
Mannige, Ranjan V.
Whitelam, Stephen
TI Growth of equilibrium structures built from a large number of distinct
component types
SO SOFT MATTER
LA English
DT Article
ID NUCLEATION; PHASE
AB We use simple analytic arguments and lattice-based computer simulations to study the growth of structures made from a large number of distinct component types. Components possess 'designed' interactions, chosen to stabilize an equilibrium target structure in which each component type has a defined spatial position, as well as 'undesigned' interactions that allow components to bind in a compositionally-disordered way. We find that high-fidelity growth of the equilibrium target structure can happen in the presence of substantial attractive undesigned interactions, as long as the energy scale of the set of designed interactions is chosen appropriately. This observation may help explain why equilibrium DNA 'brick' structures self-assemble even if undesigned interactions are not suppressed [Ke et al. Science, 338, 1177, (2012)]. We also find that high-fidelity growth of the target structure is most probable when designed interactions are drawn from a distribution that is as narrow as possible. We use this result to suggest how to choose complementary DNA sequences in order to maximize the fidelity of multicomponent self-assembly mediated by DNA. We also comment on the prospect of growing macroscopic structures in this manner.
C1 [Hedges, Lester O.; Mannige, Ranjan V.; Whitelam, Stephen] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
RP Whitelam, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM swhitelam@lbl.gov
RI Foundry, Molecular/G-9968-2014
FU Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy [DE-AC02-05CH11231]; Office of Science of the U.S.
Department of Energy [DE-AC02-05CH11231]
FX We thank Jeremy Schmit for comments on the manuscript, and Yonggang Ke
and Peng Yin for correspondence and for sending us a file containing DNA
sequences used in ref. 7. This work was done at the Molecular Foundry at
Lawrence Berkeley National Lab, and was supported by the Office of
Science, Office of Basic Energy Sciences, of the U.S. Department of
Energy under Contract no. DE-AC02-05CH11231. This research used
resources of the National Energy Research Scientific Computing Center,
which is supported by the Office of Science of the U.S. Department of
Energy under Contract no. DE-AC02-05CH11231.
NR 29
TC 19
Z9 19
U1 0
U2 12
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 2014
VL 10
IS 34
BP 6404
EP 6416
DI 10.1039/c4sm01021c
PG 13
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA AO0TO
UT WOS:000341025400005
PM 25005537
ER
PT J
AU Mincher, BJ
Wishart, JF
AF Mincher, Bruce J.
Wishart, James F.
TI THE RADIATION CHEMISTRY OF IONIC LIQUIDS: A REVIEW
SO SOLVENT EXTRACTION AND ION EXCHANGE
LA English
DT Review
DE free radicals; ionic liquids; radiation chemistry; solvent extraction
ID INDUCED REDOX REACTIONS; SUPERCRITICAL CARBON-DIOXIDE; HARMFUL
RADIOLYTIC PRODUCTS; ROOM-TEMPERATURE; SOLVENT-EXTRACTION;
GAMMA-RADIATION; PULSE-RADIOLYSIS; AQUEOUS-SOLUTIONS; CROWN-ETHERS;
METHYLTRIBUTYLAMMONIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE
AB Ionic liquids have received increasing attention as media for radiochemical separations. Recent literature includes examinations of the efficiencies and mechanisms of the solvent extraction of lanthanides, actinides, and fission products into ionic liquid solutions. For radiochemical applications including as potential replacement solvents for nuclear fuel reprocessing, a thorough understanding of the radiation chemistry of ionic liquids will be required. Such an understanding can be achieved based upon a combination of steady-state radiolysis experiments coupled with post-irradiation product identification and pulse-radiolysis experiments to acquire kinetic information. These techniques allow for the elucidation of radiolytic mechanisms. This contribution reviews the current ionic liquid radiation chemistry literature as it affects separations, with these considerations in mind.
C1 [Mincher, Bruce J.] Idaho Natl Lab, Aqueous Separat & Radiochem Dept, Idaho Falls, ID 83415 USA.
[Wishart, James F.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Mincher, BJ (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA.
EM bruce.mincher@inl.gov
RI Wishart, James/L-6303-2013; Mincher, Bruce/C-7758-2017
OI Wishart, James/0000-0002-0488-7636;
FU US-DOE Office of Science, Division of Chemical Sciences, Geosciences and
Biosciences [DE-AC02-98CH10886]; DOE Idaho Operations Office
[DE-AC07-05ID14517]
FX The work at Brookhaven was supported by the US-DOE Office of Science,
Division of Chemical Sciences, Geosciences and Biosciences under
contract DE-AC02-98CH10886. The work at INL was supported under DOE
Idaho Operations Office Contract DE-AC07-05ID14517.
NR 116
TC 12
Z9 12
U1 3
U2 51
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0736-6299
EI 1532-2262
J9 SOLVENT EXTR ION EXC
JI Solvent Extr. Ion Exch.
PY 2014
VL 32
IS 6
BP 563
EP 583
DI 10.1080/07366299.2014.925687
PG 21
WC Chemistry, Multidisciplinary
SC Chemistry
GA AO2HH
UT WOS:000341138900001
ER
PT S
AU Sattley, WM
Asao, M
Tang, JKH
Collins, AM
AF Sattley, W. Matthew
Asao, Marie
Tang, Joseph Kuo-Hsiang
Collins, Aaron M.
BE HohmannMarriott, MF
TI Energy Conservation in Heliobacteria: Photosynthesis and Central Carbon
Metabolism
SO STRUCTURAL BASIS OF BIOLOGICAL ENERGY GENERATION
SE Advances in Photosynthesis and Respiration
LA English
DT Article; Book Chapter
ID GREEN SULFUR BACTERIA; REACTION-CENTER COMPLEX; ELECTRON-TRANSFER
PROCESSES; HOMODIMERIC REACTION-CENTER; HELIOBACILLUS-MOBILIS;
PHOTOSYSTEM-I; BACTERIOCHLOROPHYLL-G; SP-NOV; ALKALIPHILIC
HELIOBACTERIUM; PHOTOTROPHIC HELIOBACTERIA
AB Heliobacteria are a group of anoxygenic phototrophic bacteria that use a unique pigment, bacteriochlorophyll g, for photosynthetic energy conversion within a type I homodimeric reaction center. Like their nonphotosynthetic relatives the clostridia, heliobacteria have a gram-positive cell structure and can form heat-resistant endospores. Heliobacteria are also unusual in that they are the only anaerobic anoxygenic phototrophs that lack a mechanism for autotrophic growth. Growth of heliobacteria is therefore dependent upon the presence of usable organic carbon sources and occurs either photoheterotrophically or chemotrophically (via pyruvate fermentation). While knowledge of heliobacterial photosynthesis and physiology has steadily increased since the relatively recent discovery of these phototrophs in the 1980s, high-resolution structural data pertaining to features of the heliobacterial photosynthetic apparatus are not yet available. This chapter summarizes our current understanding of energy conservation in heliobacteria as it relates to central carbon metabolism (in both light and dark conditions), electron transport, and light harvesting and photochemistry within the reaction center.
C1 [Sattley, W. Matthew] Indiana Wesleyan Univ, Div Nat Sci, Marion, IN 46953 USA.
[Asao, Marie] Ohio State Univ, Dept Microbiol, Columbus, OH 43210 USA.
[Tang, Joseph Kuo-Hsiang] Clark Univ, Carlson Sch Chem & Biochem, Worcester, MA 01610 USA.
[Tang, Joseph Kuo-Hsiang] Clark Univ, Dept Biol, Worcester, MA 01610 USA.
[Collins, Aaron M.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87185 USA.
RP Sattley, WM (reprint author), Indiana Wesleyan Univ, Div Nat Sci, 4201 S Washington St, Marion, IN 46953 USA.
EM matthew.sattley@indwes.edu; asao.1@osu.edu; jtang@clarku.edu;
aaronmcollins@gmail.com
NR 77
TC 2
Z9 2
U1 1
U2 10
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 1572-0233
BN 978-94-017-8742-0; 978-94-017-8741-3
J9 ADV PHOTOSYNTH RESP
JI Adv. Photo. Respirat.
PY 2014
VL 39
BP 231
EP 247
DI 10.1007/978-94-017-8742-0_13
D2 10.1007/978-94-017-8742-0
PG 17
WC Biochemistry & Molecular Biology; Plant Sciences; Microbiology
SC Biochemistry & Molecular Biology; Plant Sciences; Microbiology
GA BB0RN
UT WOS:000340659100014
ER
PT S
AU Malm, EB
Monserud, NC
Wachulak, PW
Brown, C
Chao, W
Anderson, E
Xu, H
Hains, CP
Balakrishnan, G
Menoni, CS
Rocca, JJ
Marconi, MC
AF Malm, E. B.
Monserud, N. C.
Wachulak, P. W.
Brown, C.
Chao, W.
Anderson, E.
Xu, H.
Hains, C. P.
Balakrishnan, G.
Menoni, C. S.
Rocca, J. J.
Marconi, M. C.
BE Sebban, S
Gautier, J
Ros, D
Zeitoun, P
TI Time Resolved Holography Scheme Using a Table Top Soft X-Ray Laser
SO X-RAY LASERS 2012
SE Springer Proceedings in Physics
LA English
DT Proceedings Paper
CT 13th International Conference on X-Ray Lasers (ICXRL)
CY JUN 11-15, 2012
CL Paris, FRANCE
SP Ctr Natl Rech Scientifique, Ecole Polytechnique, Ecole Natl Superieure Tech Avancees, Triangle Physique, Inst Lasers & Plasma, GDR APPLIX, Micro Controle, Spectra Phys, Plug in, BFI Optilas, Roper, Amplitude Technologies, Optoprim, Imagine Opt, Andor Technol, Source Lab, Quantel
ID RESOLUTION
AB We demonstrate a versatile table-top holography setup capable of acquiring single-shot soft X-ray holograms with a 10-90% knife edge spatial resolution of 170 +/- 26 nm and 1 ns temporal resolution. A Fresnel zone plate is used to create the reference wave as well as to illuminate the sample in a Fourier transform holography scheme. A 100 mu m in diameter central opening in the zone plate allows the incident beam to pass through and directly illuminate the object. A pinhole is located in the sample mask allowing the first order from the zone plate to pass while blocking the higher orders. This setup can be used to enhance edges for conventional single-shot soft X-ray holography imaging.
C1 [Malm, E. B.; Monserud, N. C.; Brown, C.; Menoni, C. S.; Rocca, J. J.; Marconi, M. C.] Colorado State Univ, Dept Elect Engn, Ft Collins, CO 80523 USA.
[Malm, E. B.; Monserud, N. C.; Brown, C.; Menoni, C. S.; Rocca, J. J.; Marconi, M. C.] Colorado State Univ, Engn Res Ctr Extreme Ultraviolet Sci & Technol, Ft Collins, CO 80523 USA.
[Xu, H.; Hains, C. P.; Balakrishnan, G.] Univ New Mexico, Ctr High Technol Mat, Dept Elect Engn, Albuquerque, NM 87106 USA.
[Wachulak, P. W.] Mil Univ Technol, Inst Optoelectron, Warsaw, Poland.
[Chao, W.; Anderson, E.] Lawrence Berkeley Natl Lab, Ctr X Ray Opt, Berkeley, CA 94720 USA.
RP Marconi, MC (reprint author), Colorado State Univ, Dept Elect Engn, Ft Collins, CO 80523 USA.
EM marconi@engr.colostate.edu
FU Defense Threat Reduction AgencyJoint Science and Technology Office for
Chemical and Biological Defense [HDTRA110-1-0070]; NSF ERC Center for
Extreme Ultraviolet Science and Technology; NSF [EEC-0310717]
FX This research was sponsored by the Defense Threat Reduction AgencyJoint
Science and Technology Office for Chemical and Biological Defense (Grant
no. HDTRA110-1-0070) and the NSF ERC Center for Extreme Ultraviolet
Science and Technology, NSF Award No. EEC-0310717.
NR 14
TC 0
Z9 0
U1 0
U2 10
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0930-8989
BN 978-3-319-00696-3; 978-3-319-00695-6
J9 SPRINGER PROC PHYS
PY 2014
VL 147
BP 165
EP 170
DI 10.1007/978-3-319-00696-3_26
PG 6
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB0OS
UT WOS:000340544700026
ER
PT S
AU Menoni, CS
Carbajo, S
Howlett, ID
Chao, W
Anderson, EH
Vinogradov, AV
Artyukov, IA
Buchanan, K
Marconi, MC
Rocca, JJ
AF Menoni, C. S.
Carbajo, S.
Howlett, I. D.
Chao, W.
Anderson, E. H.
Vinogradov, A. V.
Artyukov, I. A.
Buchanan, K.
Marconi, M. C.
Rocca, J. J.
BE Sebban, S
Gautier, J
Ros, D
Zeitoun, P
TI Visualization of Rapid Dynamic Interactions by Flash Soft X-Ray
Microscopy
SO X-RAY LASERS 2012
SE Springer Proceedings in Physics
LA English
DT Proceedings Paper
CT 13th International Conference on X-Ray Lasers (ICXRL)
CY JUN 11-15, 2012
CL Paris, FRANCE
SP Ctr Natl Rech Scientifique, Ecole Polytechnique, Ecole Natl Superieure Tech Avancees, Triangle Physique, Inst Lasers & Plasma, GDR APPLIX, Micro Controle, Spectra Phys, Plug in, BFI Optilas, Roper, Amplitude Technologies, Optoprim, Imagine Opt, Andor Technol, Source Lab, Quantel
ID EXTREME-ULTRAVIOLET LASER; ELECTRON-MICROSCOPY; 13.9 NM; RESOLUTION;
NANOSTRUCTURES; TEM
AB We demonstrate sequential single-shot real space imaging using a compact soft x-ray (SXR) microscope. A sequence of real space flash images acquired with a table-top SXR laser was used to follow and record the motion of a rapidly oscillating magnetic nanoprobe tip and detect nanoscale dynamic interactions. Changes of tens of nm in the oscillation amplitude were detected when the nanoprobe was made to interact with stray fields from a magnetic sample. Modeling of this interaction confirms the results of the experiments. The ability of compact SXR microscopes to freeze dynamics open up the pathway to investigate the dynamics of a variety of processes that include the motion on nanodevices and potentially nonrecurrent phenomena.
C1 [Menoni, C. S.; Carbajo, S.; Howlett, I. D.; Chao, W.; Anderson, E. H.; Marconi, M. C.; Rocca, J. J.] Colorado State Univ, Dept Elect & Comp Engn, NSF ERC Extreme Ultraviolet Sci & Technol, Ft Collins, CO 80523 USA.
[Chao, W.; Anderson, E. H.] NSF, ERC Extreme Ultraviolet Sci & Technol, Ctr X ray Opt, LBNL, Berkeley, CA 94720 USA.
[Vinogradov, A. V.; Artyukov, I. A.] P N Lebedev, Inst Phys, Moscow, Russia.
[Buchanan, K.] Colorado State Univ, Dept Phys, Ft Collins 80523, CO USA.
RP Menoni, CS (reprint author), Colorado State Univ, Dept Elect & Comp Engn, NSF ERC Extreme Ultraviolet Sci & Technol, Ft Collins, CO 80523 USA.
EM carmen.menoni@colostate.edu
RI Artyukov, Igor/B-3105-2009;
OI Artyukov, Igor/0000-0001-7915-697X; Howlett, Isela/0000-0003-0555-4005;
Buchanan, Kristen/0000-0003-0879-0038
FU NSF ERC for Extreme Ultraviolet Science and Technology under NSF Award
[EEC-0310717]; NSF Award MRIARRA [09-561]; Chemical Sciences,
Geosciences and Biosciences Division; Office of Basic Energy Sciences;
U. S. Department of Energy; NSF [0907706]
FX Work supported by the NSF ERC for Extreme Ultraviolet Science and
Technology under NSF Award EEC-0310717 using equipment developed under
NSF Award MRIARRA 09-561, and by the Chemical Sciences, Geosciences and
Biosciences Division, Office of Basic Energy Sciences, U. S. Department
of Energy. K. S. B. was also supported by NSF award number 0907706.
NR 26
TC 0
Z9 0
U1 0
U2 7
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0930-8989
BN 978-3-319-00696-3; 978-3-319-00695-6
J9 SPRINGER PROC PHYS
PY 2014
VL 147
BP 185
EP 192
DI 10.1007/978-3-319-00696-3_30
PG 8
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB0OS
UT WOS:000340544700030
ER
PT S
AU Nilsen, J
Johnson, WR
Cheng, KT
AF Nilsen, Joseph
Johnson, Walter R.
Cheng, K. T.
BE Sebban, S
Gautier, J
Ros, D
Zeitoun, P
TI Using the X-FEL to Understand X-Ray Thomson Scattering for Partially
Ionized Plasmas
SO X-RAY LASERS 2012
SE Springer Proceedings in Physics
LA English
DT Proceedings Paper
CT 13th International Conference on X-Ray Lasers (ICXRL)
CY JUN 11-15, 2012
CL Paris, FRANCE
SP Ctr Natl Rech Scientifique, Ecole Polytechnique, Ecole Natl Superieure Tech Avancees, Triangle Physique, Inst Lasers & Plasma, GDR APPLIX, Micro Controle, Spectra Phys, Plug in, BFI Optilas, Roper, Amplitude Technologies, Optoprim, Imagine Opt, Andor Technol, Source Lab, Quantel
AB For the last decade numerous researchers have been trying to develop experimental techniques to use X-ray Thomson scattering as a method to measure the temperature, electron density, and ionization state of high energy density plasmas such as those used in inertial confinement fusion. X-ray laser sources have always been of interest because of the need to have a bright monochromatic X-ray source to overcome plasma emission and eliminate other lines in the background that complicate the analysis. With the advent of the X-ray free electron laser (X-FEL) at the SLAC Linac Coherent Light Source (LCLS) we now have such a source available in the keV regime. Other X-FEL sources are being built in Germany and around the world. One challenge with X-ray Thomson scattering experiments is understanding how to model the scattering for partially ionized plasmas. Most Thomson scattering codes used to model experimental data greatly simplify or neglect the contributions of the bound electrons to the scattered intensity. In this work we take the existing models of Thomson scattering that include elastic ion-ion scattering and the electron-electron plasmon scattering and add the contribution of the bound electrons in the partially ionized plasmas. Except for hydrogen plasmas almost every plasma that is studied today has bound electrons and it is important to understand their contribution to the Thomson scattering, especially as new X-ray sources such as the X-FEL will allow us to study much higher Z plasmas. Currently most experiments have looked at hydrogen or beryllium. We will first look at the bound electron contributions to beryllium by analyzing existing experimental data. We then consider several higher Z materials such as Cr and predict the existence of additional peaks in the scattering spectrum that requires new computational tools to understand. For a Sn plasma we show that the bound contributions changes the shape of the scattered spectrum in a way that would change the plasma temperature and density inferred by the experiment.
C1 [Nilsen, Joseph; Cheng, K. T.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
[Johnson, Walter R.] Univ Notre Dame, Notre Dame, IN 46556 USA.
RP Nilsen, J (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
EM nilsen1@llnl.gov
FU U. S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]
FX This work was performed under the auspices of the U. S. Department of
Energy by Lawrence Livermore National Laboratory under Contract DE-
AC52-07NA27344.
NR 6
TC 0
Z9 0
U1 0
U2 3
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0930-8989
BN 978-3-319-00696-3; 978-3-319-00695-6
J9 SPRINGER PROC PHYS
PY 2014
VL 147
BP 193
EP 198
DI 10.1007/978-3-319-00696-3_31
PG 6
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB0OS
UT WOS:000340544700031
ER
PT S
AU Urbanski, L
Marconi, MC
Meng, LM
Berrill, M
Guilbaud, O
Klisnick, A
Rocca, JJ
AF Urbanski, L.
Marconi, M. C.
Meng, L. M.
Berrill, M.
Guilbaud, O.
Klisnick, A.
Rocca, J. J.
BE Sebban, S
Gautier, J
Ros, D
Zeitoun, P
TI Spectral Linewidth Measurement of a Ne-Like Ar Capillary Discharge Soft
X-Ray Laser
SO X-RAY LASERS 2012
SE Springer Proceedings in Physics
LA English
DT Proceedings Paper
CT 13th International Conference on X-Ray Lasers (ICXRL)
CY JUN 11-15, 2012
CL Paris, FRANCE
SP Ctr Natl Rech Scientifique, Ecole Polytechnique, Ecole Natl Superieure Tech Avancees, Triangle Physique, Inst Lasers & Plasma, GDR APPLIX, Micro Controle, Spectra Phys, Plug in, BFI Optilas, Roper, Amplitude Technologies, Optoprim, Imagine Opt, Andor Technol, Source Lab, Quantel
ID TEMPORAL COHERENCE
AB We report on the measurement of spectral linewidth of a Ne-like Ar tabletop capillary discharge laser. The linewidth was measured as a function of the gain medium length. Due to inhomogeneous character of the linewidth, saturation rebroadening is expected. However no such behavior was observed while the amplifier length was extended beyond saturation. This situation is compared with a numerical model, identifying that even a small amount of collisional broadening effectively homogenizes the line profile.
C1 [Urbanski, L.; Marconi, M. C.; Rocca, J. J.] Colorado State Univ, NSF ERC Extreme Ultraviolet Sci & Technol, Ft Collins, CO 80523 USA.
[Meng, L. M.; Klisnick, A.] Univ Paris 11, CNRS, ISMO, Orsay, France.
[Berrill, M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Guilbaud, O.] Univ Paris 11, CNRS, LPGP, Orsay, France.
RP Marconi, MC (reprint author), Colorado State Univ, NSF ERC Extreme Ultraviolet Sci & Technol, Ft Collins, CO 80523 USA.
EM marconi@engr.colostate.edu
OI Berrill, Mark/0000-0002-4525-3939
FU NSF [PHY-1004295]; NSF Center for Extreme Ultraviolet Science and
Technology under NSF [EEC-0310717]; DTRA [HDTRA 1-10-1-0070]; AMOS
program of the Office of Basic Energy Sciences; US Department of Energy;
Oak Ridge National Laboratory; US Department of Energy [DE-
AC05-00OR22725]
FX We acknowledge fruitful discussion with A. Calisti (PIIM, Universite de
Marseille, France) on ionic correlations. The support and expertise from
D. Joyeux and S. de Rossi (LCF, Institut d'Optique, Palaiseau, France)
are greatly appreciated. This work was supported by NSF Grant No.
PHY-1004295, the NSF Center for Extreme Ultraviolet Science and
Technology under NSF Grant No. EEC-0310717, DTRA under Contract No.
HDTRA 1-10-1-0070, and by the AMOS program of the Office of Basic Energy
Sciences, US Department of Energy. M. B. acknowledges support for staff
members at Oak Ridge National Laboratory managed by UT- Battelle, LLC,
for the US Department of Energy under Contract No. DE- AC05-00OR22725.
NR 10
TC 0
Z9 0
U1 2
U2 6
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0930-8989
BN 978-3-319-00696-3; 978-3-319-00695-6
J9 SPRINGER PROC PHYS
PY 2014
VL 147
BP 257
EP 261
DI 10.1007/978-3-319-00696-3_41
PG 5
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB0OS
UT WOS:000340544700041
ER
PT S
AU Urbanski, L
Marconi, MC
Isoyan, A
Stein, A
Menoni, CS
Rocca, JJ
AF Urbanski, L.
Marconi, M. C.
Isoyan, A.
Stein, A.
Menoni, C. S.
Rocca, J. J.
BE Sebban, S
Gautier, J
Ros, D
Zeitoun, P
TI Defect Tolerant Talbot Nanopatterning
SO X-RAY LASERS 2012
SE Springer Proceedings in Physics
LA English
DT Proceedings Paper
CT 13th International Conference on X-Ray Lasers (ICXRL)
CY JUN 11-15, 2012
CL Paris, FRANCE
SP Ctr Natl Rech Scientifique, Ecole Polytechnique, Ecole Natl Superieure Tech Avancees, Triangle Physique, Inst Lasers & Plasma, GDR APPLIX, Micro Controle, Spectra Phys, Plug in, BFI Optilas, Roper, Amplitude Technologies, Optoprim, Imagine Opt, Andor Technol, Source Lab, Quantel
ID INTERFERENCE NANOLITHOGRAPHY; LITHOGRAPHY; FABRICATION
AB We report on a defect tolerant extreme ultraviolet (EUV) nanopatterning method. This technique is capable of printing arbitrarily shaped features arranged into periodic arrays with sub-micron resolution. The method is based on the Talbot effect. Masks with different defect layouts were fabricated and tested producing defect free prints regardless of presence of large amount of defects covering up to 1 % of the area of the mask. Numerical simulation was conducted in very good agreement with the experimental data.
C1 [Urbanski, L.; Marconi, M. C.; Menoni, C. S.; Rocca, J. J.] Colorado State Univ, NSF Engn Res Ctr Extreme Ultraviolet Sci & Techno, Ft Collins, CO 80523 USA.
[Isoyan, A.] Synopsys Inc, Hillsboro, OR USA.
[Stein, A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY USA.
RP Marconi, MC (reprint author), Colorado State Univ, NSF Engn Res Ctr Extreme Ultraviolet Sci & Techno, Ft Collins, CO 80523 USA.
EM marconi@engr.colostate.edu
FU National Science Foundation [ECCS 0901806]; NSF ERC for Extreme
Ultraviolet Science and Technology [EEC 0310717]; U. S. Department of
Energy; Office of Basic Energy Sciences [DE-AC02-98CH10886]
FX This work was supported by the National Science Foundation, award ECCS
0901806, the NSF ERC for Extreme Ultraviolet Science and Technology,
award EEC 0310717. This 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-AC02-98CH10886.
NR 14
TC 1
Z9 1
U1 0
U2 6
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0930-8989
BN 978-3-319-00696-3; 978-3-319-00695-6
J9 SPRINGER PROC PHYS
PY 2014
VL 147
BP 263
EP 267
DI 10.1007/978-3-319-00696-3_42
PG 5
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB0OS
UT WOS:000340544700042
ER
PT J
AU Awwad, N
Liu, XY
Afzal, W
Prausnitz, JM
AF Awwad, Nadeen
Liu, Xiangyang
Afzal, Waheed
Prausnitz, John M.
TI Viscosities and Densities of Phosphonium-Based Ionic Liquids Mixed with
Dodecane
SO ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH
IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
LA English
DT Article
DE Viscosity; Density; Dodecane; Tetraalkylphosphonium-Based Ionic Liquids
ID BINARY-MIXTURES; BIS(2,4,4-TRIMETHYLPENTYL) PHOSPHINATE; HIGH
SOLUBILITIES; CARBON-DIOXIDE; WATER; TEMPERATURE; GASES
AB While phosphonium-based ionic liquids are good solvents for gases, they have high viscosities. Addition of a diluent like dodecane significantly lowers the viscosities of the ionic liquids. In the range 20-90 degrees C, viscosities and densities were measured for binary mixtures of dodecane with one of five phosphonium-based ionic liquids: Tributylmethylphosphonium bis(2,4,4-trimethylpentyl)phosphinate [TMPP-PA], Tributyltetradecylphosphoniurn dodecylbenyzenesulfonate [TTDP-DB], Trimethyloctylphosphonium bis(2,4,4-trimethylpentyl)phosphinate [TMPP-TP], Trihexyltetradecylphosphonium dicyanamide [TTDP-DC], and Trihexyltetradecylphophonium bis(2,4,4-trimethylpentyl)phosphoniate [TTDP-PA]. For every one of these ionic liquids, addition of 10 wt. % dodecane very much reduces the viscosity but slightly reduces the density.
C1 [Awwad, Nadeen; Liu, Xiangyang; Afzal, Waheed; Prausnitz, John M.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Afzal, Waheed; Prausnitz, John M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Awwad, Nadeen] Petr Inst, Dept Chem Engn, Abu Dhabi 2533, U Arab Emirates.
[Liu, Xiangyang] Xi An Jiao Tong Univ, MOE Key Lab Thermofluid Sci & Engn, Xian 710049, Shaanxi, Peoples R China.
[Afzal, Waheed] Univ Punjab, Inst Chem Engn & Technol, Lahore 54590, Pakistan.
RP Prausnitz, JM (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
EM prausnit@cchem.berkeley.edu
OI Afzal, Waheed/0000-0002-2927-0114
FU Environmental Energy Technologies Division of the Lawrence Berkeley
National Laboratory
FX The authors are grateful to the Environmental Energy Technologies
Division of the Lawrence Berkeley National Laboratory for financial
support and to Prof. Michael Manga (UC Berkeley) for providing his
density meter.
NR 13
TC 2
Z9 2
U1 3
U2 6
PU WALTER DE GRUYTER GMBH
PI BERLIN
PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY
SN 0942-9352
J9 Z PHYS CHEM
JI Z. Phys. Chemie-Int. J. Res. Phys. Chem. Chem. Phys.
PY 2014
VL 228
IS 8
BP 839
EP 850
DI 10.1515/zpch-2013-0494
PG 12
WC Chemistry, Physical
SC Chemistry
GA AO4AM
UT WOS:000341278600004
ER
PT S
AU Ellis, R
Brunkhorst, C
Hosea, J
AF Ellis, R.
Brunkhorst, C.
Hosea, J.
BE Tuccillo, AA
Ceccuzzi, S
TI Upgrades to the NSTX HHFW Antenna
SO RADIOFREQUENCY POWER IN PLASMAS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 20th Topical Conference on Radio Frequency Power in Plasmas
CY JUN 25-28, 2013
CL Sorrento, ITALY
SP Italian Natl Agcy New Technologies, Energy & Sustainable Econ Dev
DE ICRF; HHFW; NSTX
AB The High Harmonic Fast Wave (HHFW) antenna for the National Spherical Torus Experiment (NSTX) at PPPL will be upgraded as part of the NSTX upgrade project. Higher magnetic fields and plasma current result in disruption forces on the current straps that can be up to four times the original design values. The current straps on the HHFW antenna are presently fed by coaxial feedthroughs with rigid center conductors. The additional forces on the current straps require a compliant section in the center conductor in order to minimize the forces on the feedthrough. The design of this compliant section has been an integrated effort involving electrostatic calculations in parallel with mechanical and thermal analyses, in order to arrive at a design that is optimized for mechanical, thermal and electrical considerations. The voltage standoff obtained from this design will be verified when a prototype antenna is evaluated on our RF test stand. This paper describes the design of the compliant section of the center conductor, mechanical, thermal and electrostatic calculations, and plans for full implementation of the upgrade on NSTX.
C1 [Ellis, R.; Brunkhorst, C.; Hosea, J.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
RP Ellis, R (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
NR 3
TC 2
Z9 2
U1 0
U2 2
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1210-1
J9 AIP CONF PROC
PY 2014
VL 1580
BP 350
EP 353
DI 10.1063/1.4864560
PG 4
WC Physics, Applied; Physics, Fluids & Plasmas
SC Physics
GA BA9NY
UT WOS:000339626400065
ER
PT S
AU Holmes, S
Moore, R
Peoples, J
Shiltsev, V
AF Holmes, S.
Moore, R.
Peoples, J.
Shiltsev, V.
BE Lebedev, V
Shiltsev, V
TI Accelerator Physics at the Tevatron Collider Introduction
SO ACCELERATOR PHYSICS AT THE TEVATRON COLLIDER
SE Particle Acceleration and Detection
LA English
DT Editorial Material; Book Chapter
ID HIGH-ENERGY; PERFORMANCE; OPERATION; FERMILAB; DESIGN
C1 [Holmes, S.; Moore, R.; Peoples, J.; Shiltsev, V.] Fermilab Natl Accelerator Lab, Accelerator Phys Ctr, Batavia, IL 60510 USA.
RP Shiltsev, V (reprint author), Fermilab Natl Accelerator Lab, Accelerator Phys Ctr, MS221,POB 500, Batavia, IL 60510 USA.
EM shiltsev@fnal.gov
NR 28
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 1611-1052
BN 978-1-4939-0885-1; 978-1-4939-0884-4
J9 PART ACCEL DETECT
PY 2014
BP 1
EP 28
DI 10.1007/978-1-4939-0885-1_1
D2 10.1007/978-1-4939-0885-1
PG 28
WC Physics, Particles & Fields
SC Physics
GA BB0JM
UT WOS:000340257100002
ER
PT S
AU Lebedev, V
Shiltsev, V
Valishev, A
AF Lebedev, V.
Shiltsev, V.
Valishev, A.
BE Lebedev, V
Shiltsev, V
TI Beam Optics and Orbits: Methods Used at the Tevatron Accelerators
SO ACCELERATOR PHYSICS AT THE TEVATRON COLLIDER
SE Particle Acceleration and Detection
LA English
DT Article; Book Chapter
ID COLLIDERS; SYSTEM; MOTION
C1 [Lebedev, V.; Shiltsev, V.; Valishev, A.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Lebedev, V (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
EM val@fnal.gov; shiltsev@fnal.gov
NR 34
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 1611-1052
BN 978-1-4939-0885-1; 978-1-4939-0884-4
J9 PART ACCEL DETECT
PY 2014
BP 29
EP 91
DI 10.1007/978-1-4939-0885-1_2
D2 10.1007/978-1-4939-0885-1
PG 63
WC Physics, Particles & Fields
SC Physics
GA BB0JM
UT WOS:000340257100003
ER
PT S
AU Annala, J
Harding, D
Shiltsev, V
Syphers, M
Volk, J
AF Annala, J.
Harding, D.
Shiltsev, V.
Syphers, M.
Volk, J.
BE Lebedev, V
Shiltsev, V
TI Magnets and Magnetic Field Effects
SO ACCELERATOR PHYSICS AT THE TEVATRON COLLIDER
SE Particle Acceleration and Detection
LA English
DT Article; Book Chapter
ID ACCELERATOR
C1 [Annala, J.; Harding, D.; Shiltsev, V.; Syphers, M.; Volk, J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Shiltsev, V (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
EM shiltsev@fnal.gov
NR 43
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 1611-1052
BN 978-1-4939-0885-1; 978-1-4939-0884-4
J9 PART ACCEL DETECT
PY 2014
BP 93
EP 124
DI 10.1007/978-1-4939-0885-1_3
D2 10.1007/978-1-4939-0885-1
PG 32
WC Physics, Particles & Fields
SC Physics
GA BB0JM
UT WOS:000340257100004
ER
PT S
AU Bhat, C
Seiya, K
Shiltsev, V
AF Bhat, C.
Seiya, K.
Shiltsev, V.
BE Lebedev, V
Shiltsev, V
TI Longitudinal Beam Manipulations
SO ACCELERATOR PHYSICS AT THE TEVATRON COLLIDER
SE Particle Acceleration and Detection
LA English
DT Article; Book Chapter
ID RF SYSTEMS
C1 [Bhat, C.; Seiya, K.; Shiltsev, V.] Fermilab Natl Accelerator Lab, Accelerator Phys Ctr, Batavia, IL 60510 USA.
RP Shiltsev, V (reprint author), Fermilab Natl Accelerator Lab, Accelerator Phys Ctr, MS221,POB 500, Batavia, IL 60510 USA.
EM shiltsev@fnal.gov
NR 51
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 1611-1052
BN 978-1-4939-0885-1; 978-1-4939-0884-4
J9 PART ACCEL DETECT
PY 2014
BP 125
EP 151
DI 10.1007/978-1-4939-0885-1_4
D2 10.1007/978-1-4939-0885-1
PG 27
WC Physics, Particles & Fields
SC Physics
GA BB0JM
UT WOS:000340257100005
ER
PT S
AU Burov, A
Lebedev, V
Prost, L
Shemyakin, A
Shiltsev, V
Steimel, J
Tan, CY
AF Burov, A.
Lebedev, V.
Prost, L.
Shemyakin, A.
Shiltsev, V.
Steimel, J.
Tan, C. Y.
BE Lebedev, V
Shiltsev, V
TI Collective Instabilities in the Tevatron Collider Run II Accelerators
SO ACCELERATOR PHYSICS AT THE TEVATRON COLLIDER
SE Particle Acceleration and Detection
LA English
DT Article; Book Chapter
C1 [Burov, A.; Lebedev, V.; Prost, L.; Shemyakin, A.; Shiltsev, V.; Steimel, J.; Tan, C. Y.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Lebedev, V (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
EM val@fnal.gov; shiltsev@fnal.gov
NR 33
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 1611-1052
BN 978-1-4939-0885-1; 978-1-4939-0884-4
J9 PART ACCEL DETECT
PY 2014
BP 153
EP 186
DI 10.1007/978-1-4939-0885-1_5
D2 10.1007/978-1-4939-0885-1
PG 34
WC Physics, Particles & Fields
SC Physics
GA BB0JM
UT WOS:000340257100006
ER
PT S
AU Carrigan, R
Lebedev, V
Mokhov, N
Nagaitsev, S
Shiltsev, V
Stancari, G
Still, D
Valishev, A
AF Carrigan, R.
Lebedev, V.
Mokhov, N.
Nagaitsev, S.
Shiltsev, V.
Stancari, G.
Still, D.
Valishev, A.
BE Lebedev, V
Shiltsev, V
TI Emittance Growth and Beam Loss
SO ACCELERATOR PHYSICS AT THE TEVATRON COLLIDER
SE Particle Acceleration and Detection
LA English
DT Article; Book Chapter
C1 [Carrigan, R.; Lebedev, V.; Mokhov, N.; Nagaitsev, S.; Shiltsev, V.; Stancari, G.; Still, D.; Valishev, A.] Fermilab Natl Accelerator Lab, Accelerator Phys Ctr, Batavia, IL 60510 USA.
RP Lebedev, V (reprint author), Fermilab Natl Accelerator Lab, Accelerator Phys Ctr, MS341,POB 500, Batavia, IL 60510 USA.
EM val@fnal.gov; shiltsev@fnal.gov
NR 61
TC 1
Z9 1
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 1611-1052
BN 978-1-4939-0885-1; 978-1-4939-0884-4
J9 PART ACCEL DETECT
PY 2014
BP 187
EP 258
DI 10.1007/978-1-4939-0885-1_6
D2 10.1007/978-1-4939-0885-1
PG 72
WC Physics, Particles & Fields
SC Physics
GA BB0JM
UT WOS:000340257100007
ER
PT S
AU Lebedev, V
Pasquinelli, R
Prost, L
Shemyakin, A
AF Lebedev, V.
Pasquinelli, R.
Prost, L.
Shemyakin, A.
BE Lebedev, V
Shiltsev, V
TI Antiproton Production and Cooling
SO ACCELERATOR PHYSICS AT THE TEVATRON COLLIDER
SE Particle Acceleration and Detection
LA English
DT Article; Book Chapter
ID PARTICLE BEAMS; ELECTRON
C1 [Lebedev, V.; Pasquinelli, R.; Prost, L.; Shemyakin, A.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Lebedev, V (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
EM val@fnal.gov
NR 96
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 1611-1052
BN 978-1-4939-0885-1; 978-1-4939-0884-4
J9 PART ACCEL DETECT
PY 2014
BP 259
EP 410
DI 10.1007/978-1-4939-0885-1_7
D2 10.1007/978-1-4939-0885-1
PG 152
WC Physics, Particles & Fields
SC Physics
GA BB0JM
UT WOS:000340257100008
ER
PT S
AU Shiltsev, V
Valishev, A
AF Shiltsev, V.
Valishev, A.
BE Lebedev, V
Shiltsev, V
TI Beam-Beam Effects
SO ACCELERATOR PHYSICS AT THE TEVATRON COLLIDER
SE Particle Acceleration and Detection
LA English
DT Article; Book Chapter
C1 [Shiltsev, V.; Valishev, A.] Fermilab Natl Accelerator Lab, Accelerator Phys Ctr, Batavia, IL 60510 USA.
RP Shiltsev, V (reprint author), Fermilab Natl Accelerator Lab, Accelerator Phys Ctr, POB 500,MS 221, Batavia, IL 60510 USA.
EM shiltsev@fnal.gov
NR 40
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 1611-1052
BN 978-1-4939-0885-1; 978-1-4939-0884-4
J9 PART ACCEL DETECT
PY 2014
BP 411
EP 437
DI 10.1007/978-1-4939-0885-1_8
D2 10.1007/978-1-4939-0885-1
PG 27
WC Physics, Particles & Fields
SC Physics
GA BB0JM
UT WOS:000340257100009
ER
PT S
AU Jansson, A
Lebedev, V
Moore, R
Shiltsev, V
AF Jansson, A.
Lebedev, V.
Moore, R.
Shiltsev, V.
BE Lebedev, V
Shiltsev, V
TI Beam Instrumentation
SO ACCELERATOR PHYSICS AT THE TEVATRON COLLIDER
SE Particle Acceleration and Detection
LA English
DT Article; Book Chapter
ID TEVATRON
C1 [Jansson, A.; Lebedev, V.; Moore, R.; Shiltsev, V.] Fermilab Natl Accelerator Lab, Accelerator Phys Ctr, Batavia, IL 60510 USA.
RP Shiltsev, V (reprint author), Fermilab Natl Accelerator Lab, Accelerator Phys Ctr, MS221,POB 500, Batavia, IL 60510 USA.
EM val@fnal.gov; shiltsev@fnal.gov
NR 44
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 1611-1052
BN 978-1-4939-0885-1; 978-1-4939-0884-4
J9 PART ACCEL DETECT
PY 2014
BP 439
EP 473
DI 10.1007/978-1-4939-0885-1_9
D2 10.1007/978-1-4939-0885-1
PG 35
WC Physics, Particles & Fields
SC Physics
GA BB0JM
UT WOS:000340257100010
ER
PT S
AU Agard, D
Cheng, YF
Glaeser, RM
Subramaniam, S
AF Agard, David
Cheng, Yifan
Glaeser, Robert M.
Subramaniam, Sriram
BE Hawkes, PW
TI Single-Particle Cryo-Electron Microscopy (Cryo-EM): Progress,
Challenges, and Perspectives for Further Improvement
SO ADVANCES IN IMAGING AND ELECTRON PHYSICS, VOL 185
SE Advances in Imaging and Electron Physics
LA English
DT Review; Book Chapter
ID BEAM-INDUCED MOTION; ELECTRON CRYOMICROSCOPY; EWALD SPHERE; 20S
PROTEASOME; RESOLUTION; MACROMOLECULES; IMAGES; ICE; RECONSTRUCTIONS;
CLASSIFICATION
C1 [Agard, David] Univ Calif San Francisco, HHMI, San Francisco, CA 94158 USA.
[Agard, David; Cheng, Yifan] Univ Calif San Francisco, Dept Biochem & Biophys, San Francisco, CA 94158 USA.
[Glaeser, Robert M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Subramaniam, Sriram] NCI, Lab Cell Biol, Ctr Canc Res, NIH, Bethesda, MD 20892 USA.
RP Glaeser, RM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM rmglaeser@lbl.gov
NR 46
TC 10
Z9 10
U1 9
U2 40
PU ELSEVIER ACADEMIC PRESS INC
PI SAN DIEGO
PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA
SN 1076-5670
BN 978-0-12-800144-8
J9 ADV IMAG ELECT PHYS
JI Adv. Imag. Electron Phys.
PY 2014
VL 185
BP 113
EP 137
DI 10.1016/B978-0-12-800144-8.00002-1
PG 25
WC Physics, Applied
SC Physics
GA BB0ML
UT WOS:000340439000002
ER
PT J
AU Kundu, P
Pei, YJ
Wang, MJ
Mandhapati, R
Som, S
AF Kundu, Prithwish
Pei, Yuanjiang
Wang, Mingjie
Mandhapati, Raju
Som, Sibendu
TI EVALUATION OF TURBULENCE-CHEMISTRY INTERACTION UNDER DIESEL ENGINE
CONDITIONS WITH MULTI-FLAMELET RIF MODEL
SO ATOMIZATION AND SPRAYS
LA English
DT Article
DE RIF; engine combustion network; Spray A; diesel
ID LIFT-OFF LENGTH; SPRAY COMBUSTION; SIMULATION
AB The multi-flamelet representative interactive flamelet (RIP) model is used to account for the effects of turbulence-chemistry interaction (TCI) to model spray combustion under typical diesel engine conditions. The RIP model calculates the species mass fraction based on the mixture fraction fields and scalar dissipation rates provided by the computational fluid dynamics solver. A time-dependent renormalization group turbulence model is used in conjunction with a grid-converged discrete phase model for the liquid phase. The minimum number of flamelets required is determined to sufficiently represent the large variation of stoichiometric scalar dissipation rates in the domain. Different forms of the presumed scalar probability density functions (PDFs) were also examined. The modeling results are then compared with the experimental data at different ambient temperatures, ambient O-2 concentrations, ambient densities, and injection pressures. The effects of different chemical kinetic mechanisms (103-species and 106-species skeletal mechanisms) are also studied to further understand the performance of the model. Overall, the RIP model is observed to capture the measured ignition delay and flame lift-off length very well, especially under certain conditions characterized by low ambient temperatures, densities, and oxygen concentrations. The need for initializing multiple flamelets is highlighted in order to obtain simulation results devoid of modeling artifacts. Overall, the efficacy of using an advanced turbulence combustion model is demonstrated.
C1 [Kundu, Prithwish; Pei, Yuanjiang; Som, Sibendu] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA.
[Kundu, Prithwish] N Carolina State Univ, Raleigh, NC 27607 USA.
[Wang, Mingjie; Mandhapati, Raju] Convergent Sci Inc, Middleton, WI 53562 USA.
RP Pei, YJ (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM ypei@anl.gov
FU Argonne. a U.S. Department of Energy Office of Science laboratory
[DE-AC02-06CH11357]; DOE's Office of Vehicle Technologies, Office of
Energy Efficiency and Renewable Energy [DE-AC02-06CH11357]
FX The submitted manuscript has been created by UChicago Argonne, LLC,
Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S.
Department of Energy Office of Science laboratory, is operated under
Contract No. DE-AC02-06CH11357. The US Government retains for itself,
and others acting on its behalf, a paid-up nonexclusive, irrevocable
worldwide license in said article to reproduce, prepare derivative
works, distribute copies to the public, and perform publicly and display
publicly, by or on behalf of the Government.; The research was funded by
the DOE's Office of Vehicle Technologies, Office of Energy Efficiency
and Renewable Energy under Contract No. DE-AC02-06CH11357. The authors
wish to thank Gurpreet Singh, program manager at the DOE, for his
support.
NR 38
TC 16
Z9 16
U1 1
U2 9
PU BEGELL HOUSE INC
PI DANBURY
PA 50 NORTH ST, DANBURY, CT 06810 USA
SN 1044-5110
EI 1936-2684
J9 ATOMIZATION SPRAY
JI Atom. Sprays
PY 2014
VL 24
IS 9
BP 779
EP 800
PG 22
WC Engineering, Multidisciplinary; Engineering, Chemical; Engineering,
Mechanical; Materials Science, Multidisciplinary; Physics, Applied
SC Engineering; Materials Science; Physics
GA AN3UG
UT WOS:000340513600003
ER
PT J
AU Ellingson, SR
Smith, JC
Baudry, J
AF Ellingson, Sally R.
Smith, Jeremy C.
Baudry, Jerome
TI Polypharmacology and supercomputer-based docking: opportunities and
challenges
SO MOLECULAR SIMULATION
LA English
DT Article
DE polypharmacology; docking; drug discovery
ID SACCHAROMYCES-CEREVISIAE GENOME; FREE-ENERGY CALCULATIONS; DRUG
DISCOVERY; MOLECULAR DOCKING; FENFLURAMINE; INHIBITORS; RECEPTORS;
CHEMISTRY; MEDICINE; INSIGHTS
AB Polypharmacology, the ability of drugs to interact with multiple targets, is a fundamental concept of interest to the pharmaceutical industry in its efforts to solve the current issues of the rise in the cost of drug development and decline in productivity. Polypharmacology has the potential to greatly benefit drug repurposing, bringing existing pharmaceuticals on the market to treat different ailments quicker and more affordably than developing new drugs, and may also facilitate the development of new, potent pharmaceuticals with reduced negative off-target effects and adverse side effects. Present day computational power, when combined with applications such as supercomputer-based virtual high-throughput screening (docking) will enable these advances on a massive chemogenomic level, potentially transforming the pharmaceutical industry. However, while the potential of supercomputing-based drug discovery is unequivocal, the technical and fundamental challenges are considerable.
C1 [Ellingson, Sally R.] Univ Tennessee, Knoxville, TN 37996 USA.
[Ellingson, Sally R.; Smith, Jeremy C.; Baudry, Jerome] UT ORNL Ctr Mol Biophys, Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Smith, Jeremy C.; Baudry, Jerome] Univ Tennessee, Dept Biochem Cellular & Mol Biol, Knoxville, TN USA.
RP Ellingson, SR (reprint author), Univ Tennessee, Knoxville, TN 37996 USA.
EM sellings@utk.edu; jbaudry@utk.edu
RI smith, jeremy/B-7287-2012
OI smith, jeremy/0000-0002-2978-3227
FU D.O.E - Oak Ridge National Laboratory [13-1277, 13-1278]; National
Institute for Computational Science, (NICS) [TG-MCA08X032]; NIH
[1KL2RR031974]
FX This work was partially funded by D.O.E - Oak Ridge National Laboratory
grants number 13-1277 and 13-1278 to S. R. E and J.B. Contract grant
sponsor: National Institute for Computational Science, (NICS); contract
grant number: TG-MCA08X032; Contract grant sponsor: NIH; contract grant
number: 1KL2RR031974.
NR 51
TC 4
Z9 5
U1 0
U2 7
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 0892-7022
EI 1029-0435
J9 MOL SIMULAT
JI Mol. Simul.
PY 2014
VL 40
IS 10-11
SI SI
BP 848
EP 854
DI 10.1080/08927022.2014.899699
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AN3BR
UT WOS:000340460400011
ER
PT J
AU Petkov, V
Prasai, B
Ren, Y
Shan, SY
Luo, J
Joseph, P
Zhong, CJ
AF Petkov, Valeri
Prasai, Binay
Ren, Yang
Shan, Shiyao
Luo, Jin
Joseph, Pharrah
Zhong, Chuan-Jian
TI Solving the nanostructure problem: exemplified on metallic alloy
nanoparticles
SO NANOSCALE
LA English
DT Article
ID ATOMIC-SCALE STRUCTURE; X-RAY-DIFFRACTION; PAIR DISTRIBUTION-FUNCTIONS;
POWDER DIFFRACTION; GOLD NANOPARTICLES; INTRINSIC DISORDER;
CATALYTIC-ACTIVITY; CRYSTAL-STRUCTURE; 3D STRUCTURE; NANOCRYSTALS
AB With current technology moving rapidly toward smaller scales nanometer-size materials, hereafter called nanometer-size particles (NPs), are being produced in increasing numbers and explored for various useful applications ranging from photonics and catalysis to detoxification of wastewater and cancer therapy. Nature also is a prolific producer of useful NPs. Evidence can be found in ores on the ocean floor, minerals and soils on land and in the human body that, when water is excluded, is mostly made of proteins that are 6-10 nm in size and globular in shape. Precise knowledge of the 3D atomic-scale structure, that is how atoms are arranged in space, is a crucial prerequisite for understanding and so gaining more control over the properties of any material, including NPs. In the case of bulk materials such knowledge is fairly easy to obtain by Bragg diffraction experiments. Determining the 3D atomic-scale structure of NPs is, however, still problematic spelling trouble for science and technology at the nanoscale. Here we explore this so-called "nanostructure problem" from a practical point of view arguing that it can be solved when its technical, that is the inapplicability of Bragg diffraction to NPs, and fundamental, that is the incompatibility of traditional crystallography with NPs, aspects are both addressed properly. As evidence we present a successful and broadly applicable, 6-step approach to determining the 3D atomic-scale structure of NPs based on a suitable combination of a few experimental and computational techniques. This approach is exemplified on 5 nm sized PdxNi(100-x) particles (x = 26, 56 and 88) explored for catalytic applications. Furthermore, we show how once an NP atomic structure is determined precisely, a strategy for improving NP structure-dependent properties of particular interest to science and technology can be designed rationally and not subjectively as frequently done now.
C1 [Petkov, Valeri; Prasai, Binay] Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48859 USA.
[Ren, Yang] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
[Shan, Shiyao; Luo, Jin; Joseph, Pharrah; Zhong, Chuan-Jian] SUNY Binghamton, Dept Chem, Binghamton, NY 13902 USA.
RP Petkov, V (reprint author), Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48859 USA.
EM petko1vg@cmich.edu; yren@anl.gov; cjzhong@binghamton.edu
RI Zhong, Chuan-Jian/D-3394-2013
FU DOE-BES [DE-SC0006877]; DOE [DEAC02-06CH11357]
FX The work on this paper was supported by DOE-BES Grant DE-SC0006877. The
work at the Advanced Photon Source was supported by DOE under Contract
DEAC02-06CH11357.
NR 100
TC 10
Z9 10
U1 7
U2 36
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 2014
VL 6
IS 17
BP 10048
EP 10061
DI 10.1039/c4nr01633e
PG 14
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA AN3WX
UT WOS:000340520500021
PM 25030531
ER
PT J
AU Meshot, ER
Zhao, ZZ
Lu, W
Hart, AJ
AF Meshot, Eric R.
Zhao, Zhouzhou
Lu, Wei
Hart, A. John
TI Self-ordering of small-diameter metal nanoparticles by dewetting on
hexagonal mesh templates
SO NANOSCALE
LA English
DT Article
ID X-RAY-SCATTERING; PERIODIC ARRAYS; THIN-FILMS; LITHOGRAPHY; FABRICATION
AB Arrays of small-diameter nanoparticles with high spatial order are useful for chemical and biological sensors, data storage, synthesis of nanowires and nanotubes, and many other applications. We show that self-ordered metal nanoparticle arrays can be formed by dewetting of thin films on hexagonal mesh substrates made of anodic aluminum oxide (AAO). Upon heating, the metal (Fe) film dewets onto the interstitial sites (i.e., the node points) between pores on the top surface of the AAO. We investigated the particle morphology and dynamics of dewetting using a combination of atomic force microscopy (AFM), grazing-incidence small-angle X-ray scattering (GISAXS), and numerical simulations. Templated metal particles are more monodisperse and have higher local order than those formed by the same dewetting process on flat, nonporous alumina. The degree of order depends on the initial film thickness, and for the optimal thickness tested (nominally 2 nm), we achieved uniform coverage and high order of the particles, comparable to that of the AAO template itself. Computational modeling of dewetting on templates with various pore order and size shows that the order of AAO pores is primarily influential in determining particle position and spacing, while the variance in pore size is less impactful. Potential uses of these ordered nanoparticle arrays on porous materials include plasmonic sensors and spatially controlled catalysts.
C1 [Meshot, Eric R.; Zhao, Zhouzhou; Lu, Wei; Hart, A. John] Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA.
[Meshot, Eric R.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA.
[Hart, A. John] MIT, Dept Mech Engn, Cambridge, MA 02139 USA.
[Hart, A. John] MIT, Mfg & Prod Lab, Cambridge, MA 02139 USA.
RP Hart, AJ (reprint author), Univ Michigan, Dept Mech Engn, 2350 Hayward St, Ann Arbor, MI 48109 USA.
EM ajhart@mit.edu
RI Hart, A. John/A-9027-2010
OI Hart, A. John/0000-0002-7372-3512
FU Office of Naval Research [N00014101055]; U.S. Department of Energy,
National Nuclear Security Administration [DE-AC52-07NA27344]; NSF;
NIH-NIGMS under NSF [DMR-0936384]; Belgian American Education Foundation
FX Financial support for the experimental work (E. R. M. and A.J.H.) was
provided by the Office of Naval Research (N00014101055), and the
computational work (Z.Z. and W. L.) was supported by the National
Science Foundation (CMMI-0927634). Lawrence Livermore National
Laboratory is operated by Lawrence Livermore National Security, LLC, for
the U.S. Department of Energy, National Nuclear Security Administration
under Contract DE-AC52-07NA27344. X-ray scattering was performed in the
G1 beamline at the Cornell High-Energy Synchrotron Source (CHESS), which
is supported by the NSF and NIH-NIGMS under NSF Grant DMR-0936384. AFM
and SEM were performed at the University of Michigan Electron Microbeam
Analysis Library (EMAL). E. R. M. received support from the Belgian
American Education Foundation and LLNL for data analysis and manuscript
preparation. The authors thank Erik Polsen, Mostafa Bedewy, and Megan
Roberts, for assistance with AFM, GISAXS, and thin film deposition.
NR 26
TC 5
Z9 5
U1 5
U2 53
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 2014
VL 6
IS 17
BP 10106
EP 10112
DI 10.1039/c4nr01501k
PG 7
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA AN3WX
UT WOS:000340520500028
PM 25034394
ER
PT J
AU Geng, XL
Henderson, WA
AF Geng, Xinglian
Henderson, Wesley A.
TI Impact of non-solvents on the structural features and enzymatic
digestibility of cellulose regenerated from an ionic liquid
SO RSC ADVANCES
LA English
DT Article
ID PRETREATMENT; HYDROLYSIS; BIOMASS; RECALCITRANCE; SACCHARIFICATION;
SWITCHGRASS; CRYSTAL
AB The choice of non-solvent has a dramatic influence on the morphology/crystallinity of regenerated cellulose obtained following ionic liquid (IL) dissolution. This, in turn, greatly impacts the enzymatic digestibility of the cellulose. The use of ethanol (in contrast to water) provides a high surface-area, amorphous regenerated material ideal for hydrolysis-ethanol is also more facile to separate from the IL than water during the recovery/recycling process for the IL.
C1 [Geng, Xinglian; Henderson, Wesley A.] N Carolina State Univ, Dept Chem & Biomol Engn, ILEET Lab, Raleigh, NC 27695 USA.
[Henderson, Wesley A.] PNNL, Energy & Environm Directorate, Richland, WA 99352 USA.
RP Henderson, WA (reprint author), N Carolina State Univ, Dept Chem & Biomol Engn, ILEET Lab, 911 Partners Way, Raleigh, NC 27695 USA.
EM Wesley.Henderson@pnnl.gov
FU U.S. Air Force Office of Scientific Research (AFOSR) [FA9550-08-1-0185]
FX This material is based upon work fully supported by the U.S. Air Force
Office of Scientific Research (AFOSR) under contract/grant number
FA9550-08-1-0185.
NR 32
TC 5
Z9 5
U1 4
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 2014
VL 4
IS 59
BP 31226
EP 31229
DI 10.1039/c4ra05019c
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA AN3RH
UT WOS:000340505700036
ER
PT J
AU Bienstock, D
Chertkov, M
Harnett, S
AF Bienstock, Daniel
Chertkov, Michael
Harnett, Sean
TI Chance-Constrained Optimal Power Flow: Risk-Aware Network Control under
Uncertainty
SO SIAM REVIEW
LA English
DT Article
DE optimization; power flows; uncertainty; wind farms; networks
ID CASCADING FAILURE; UNIT COMMITMENT; PROGRAMS; MODEL
AB When uncontrollable resources fluctuate, optimal power flow (OPF), routinely used by the electric power industry to redispatch hourly controllable generation (coal, gas, and hydro plants) over control areas of transmission networks, can result in grid instability and, potentially, cascading outages. This risk arises because OPF dispatch is computed without awareness of major uncertainty, in particular fluctuations in renewable output. As a result, grid operation under OPF with renewable variability can lead to frequent conditions where power line flow ratings are significantly exceeded. Such a condition, which is borne by our simulations of real grids, is considered undesirable in power engineering practice. Possibly, it can lead to a risky outcome that compromises grid stability-line tripping. Smart grid goals include a commitment to large penetration of highly fluctuating renewables, thus calling to reconsider current practices, in particular the use of standard OPF. Our chance-constrained (CC) OPF corrects the problem and mitigates dangerous renewable fluctuations with minimal changes in the current operational procedure. Assuming availability of a reliable wind forecast parameterizing the distribution function of the uncertain generation, our CC-OPF satisfies all the constraints with high probability while simultaneously minimizing the cost of economic redispatch. CC-OPF allows efficient implementation, e. g., solving a typical instance over the 2746-bus Polish network in 20 seconds on a standard laptop.
C1 [Bienstock, Daniel] Columbia Univ, Dept Ind Engn & Operat Res, New York, NY 10027 USA.
[Bienstock, Daniel; Harnett, Sean] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
[Chertkov, Michael] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Chertkov, Michael; Harnett, Sean] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
RP Bienstock, D (reprint author), Columbia Univ, Dept Ind Engn & Operat Res, New York, NY 10027 USA.
EM dano@columbia.edu; chertkov@lanl.gov; srh2144@columbia.edu
RI Chertkov, Michael/O-8828-2015;
OI Chertkov, Michael/0000-0002-6758-515X
FU National Nuclear Security Administration of the U.S. Department of
Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]; DTRA Basic
Research grant [BRCALL08-Per3-D-2-0022]; DOE [DE-SC0002676]
FX The work at LANL was carried out under the auspices of the National
Nuclear Security Administration of the U.S. Department of Energy at Los
Alamos National Laboratory under contract DE-AC52-06NA25396. The second
and third authors were partially supported by DTRA Basic Research grant
BRCALL08-Per3-D-2-0022. The first and third authors were partially
supported by DOE award DE-SC0002676.
NR 53
TC 35
Z9 35
U1 2
U2 18
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 0036-1445
EI 1095-7200
J9 SIAM REV
JI SIAM Rev.
PY 2014
VL 56
IS 3
BP 461
EP 495
DI 10.1137/130910312
PG 35
WC Mathematics, Applied
SC Mathematics
GA AN5JP
UT WOS:000340627100002
ER
PT J
AU Solis, KJ
Martin, JE
AF Solis, Kyle J.
Martin, James E.
TI Torque density measurements on vortex fluids produced by
symmetry-breaking rational magnetic fields
SO SOFT MATTER
LA English
DT Article
ID FERROFLUIDS; FLOW
AB We have recently reported on the discovery that an infinite class of triaxial magnetic fields is capable of producing rotational flows in magnetic particle suspensions. These triaxial fields are created by applying a dc field orthogonally to a rational biaxial field, comprised of orthogonal components whose frequencies form a rational ratio. The vorticity axis can be parallel to any of the three field components and can be predicted by a careful consideration of the symmetry of the dynamic field. In this paper we not only test the field-symmetry predictions, but also quantify fluid vorticity as a function of the field parameters (strength, frequency ratio, phase angle and relative dc field strength) and particle shape. These measurements validate the symmetry predictions and demonstrate that rational fields are as effective as vortex fields for producing strong fluid mixing, yet have the advantage that small changes in the frequency of one of the field components can change the vorticity axis. This approach extends the possibilities for noncontact control of fluid flows and should be useful in areas such as microfluidics, and the manipulation and mixing of microdroplets.
C1 [Solis, Kyle J.; Martin, James E.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Martin, JE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM kjsolis@sandia.gov; jmartin@sandia.gov
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; Division of Materials Science, Office of Basic
Energy Sciences, U.S. Department of Energy (DOE)
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 Division of Materials Science, Office of Basic Energy
Sciences, U.S. Department of Energy (DOE). We thank Matt Groo at Novamet
and Vladimir Raksha, Paul Coombs, Tom Markantes, Bill Kittler, and
Kees-Jan Delst at JDSU for supplying the magnetic platelets. We also
thank Richard Bell at The Pennsylvania State University, Altoona College
for synthesizing the cobalt nanorods.
NR 22
TC 8
Z9 8
U1 1
U2 10
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 2014
VL 10
IS 33
BP 6139
EP 6146
DI 10.1039/c4sm00678j
PG 8
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA AN2TQ
UT WOS:000340438600002
PM 24912458
ER
PT J
AU McDermott, D
Reichhardt, CJO
Reichhardt, C
AF McDermott, Danielle
Reichhardt, Cynthia J. Olson
Reichhardt, Charles
TI Stripe systems with competing interactions on quasi-one dimensional
periodic substrates
SO SOFT MATTER
LA English
DT Article
ID QUENCHED DISORDER; PHASES; SUPERCONDUCTORS; MONOLAYERS; SUMMATION;
DYNAMICS; PATTERNS; LIQUID; FIELD
AB We numerically examine the two-dimensional ordering of a stripe forming system of particles with competing long-range repulsion and short-range attraction in the presence of a quasi-one-dimensional corrugated substrate. As a function of increasing substrate strength or period we show that a remarkable variety of distinct orderings can be realized, including modulated stripes, prolate clump phases, two dimensional ordered kink structures, crystalline void phases, and smectic phases. Additionally in some cases the stripes align perpendicular to the substrate troughs. Our results suggest that a new route to self assembly for systems with competing interactions can be achieved through the addition of a simple periodic modulated substrate.
C1 [McDermott, Danielle; Reichhardt, Cynthia J. Olson; Reichhardt, Charles] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[McDermott, Danielle] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA.
RP Reichhardt, CJO (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM cjrx@lanl.gov
FU NNSA of the U.S. DoE at LANL [DE-AC52-06NA25396]
FX This work was carried out under the auspices of the NNSA of the U.S. DoE
at LANL under contract no. DE-AC52-06NA25396.
NR 58
TC 2
Z9 2
U1 2
U2 10
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 2014
VL 10
IS 33
BP 6332
EP 6338
DI 10.1039/c4sm01341g
PG 7
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA AN2TQ
UT WOS:000340438600022
PM 25030212
ER
PT J
AU Hu, A
Fan, TH
Katsaras, J
Xia, Y
Li, M
Nieh, MP
AF Hu, Andrew
Fan, Tai-Hsi
Katsaras, John
Xia, Yan
Li, Ming
Nieh, Mu-Ping
TI Lipid-based nanodiscs as models for studying mesoscale coalescence - a
transport limited case (vol 10, pg 5055, 2014)
SO SOFT MATTER
LA English
DT Correction
C1 [Hu, Andrew; Fan, Tai-Hsi] Univ Connecticut, Dept Mech Engn, Storrs, CT 06269 USA.
[Katsaras, John] Oak Ridge Natl Lab, Neutron Sci Directorate, Oak Ridge, TN 37831 USA.
[Katsaras, John] Oak Ridge Natl Lab, Joint Inst Neutron Sci, Oak Ridge, TN 37831 USA.
[Li, Ming; Nieh, Mu-Ping] Univ Connecticut, Inst Mat Sci, Storrs, CT 06269 USA.
[Xia, Yan; Nieh, Mu-Ping] Univ Connecticut, Dept Chem & Biomol Engn, Storrs, CT 06269 USA.
[Nieh, Mu-Ping] Univ Connecticut, Dept Biomed Engn, Storrs, CT 06269 USA.
RP Hu, A (reprint author), Univ Connecticut, Dept Mech Engn, Storrs, CT 06269 USA.
EM muping.nieh@ims.uconn.edu
NR 1
TC 0
Z9 0
U1 0
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 2014
VL 10
IS 33
BP 6357
EP 6357
PG 1
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA AN2TQ
UT WOS:000340438600027
ER
PT J
AU Curtright, TL
Fairlie, DB
Zachos, CK
AF Curtright, Thomas L.
Fairlie, David B.
Zachos, Cosmas K.
TI A Compact Formula for Rotations as Spin Matrix Polynomials
SO SYMMETRY INTEGRABILITY AND GEOMETRY-METHODS AND APPLICATIONS
LA English
DT Article
DE spin matrices; matrix exponentials
ID ARBITRARY SPIN; REPRESENTATIONS
AB Group elements of SU(2) are expressed in closed form as finite polynomials of the Lie algebra generators, for all definite spin representations of the rotation group. The simple explicit result exhibits connections between group theory, combinatorics, and Fourier analysis, especially in the large spin limit. Salient intuitive features of the formula are illustrated and discussed.
C1 [Curtright, Thomas L.] Univ Miami, Dept Phys, Coral Gables, FL 33124 USA.
[Fairlie, David B.] Univ Durham, Dept Math Sci, Durham DH1 3LE, England.
[Zachos, Cosmas K.] Argonne Natl Lab, High Energy Phys Div, Argonne, IL 60439 USA.
RP Curtright, TL (reprint author), Univ Miami, Dept Phys, Coral Gables, FL 33124 USA.
EM curtright@miami.edu; David.Fairlie@durham.ac.uk; c.zachos.k@att.net
RI Curtright, Thomas/B-6840-2015; zachos, cosmas/C-4366-2014;
OI zachos, cosmas/0000-0003-4379-3875; Curtright,
Thomas/0000-0001-7031-5604
FU U.S. Department of Energy Office of Science laboratory
[DE-AC02-06CH11357]; NSF [PHY-1214521]; University of Miami Cooper
Fellowship
FX The submitted manuscript has been created by UChicago Argonne, LLC,
Operator of Argonne National Laboratory (Argonne). Argonne, a U.S.
Department of Energy Office of Science laboratory, is operated under
Contract No. DE-AC02-06CH11357. The U.S. Government retains for itself,
and others acting on its behalf, a paid-up nonexclusive, irrevocable
worldwide license in said article to reproduce, prepare derivative
works, distribute copies to the public, and perform publicly and display
publicly, by or on behalf of the Government. It was also supported in
part by NSF Award PHY-1214521. TLC was also supported in part by a
University of Miami Cooper Fellowship. S. Dowker is thanked for bringing
ref [12], and whence [5], to our attention. An anonymous referee is
especially thanked for bringing [11] and more importantly [13] to our
attention.
NR 16
TC 5
Z9 5
U1 0
U2 0
PU NATL ACAD SCI UKRAINE, INST MATH
PI KYIV 4
PA 3 TERESCHCHENKIV SKA ST, KYIV 4, 01601, UKRAINE
SN 1815-0659
J9 SYMMETRY INTEGR GEOM
JI Symmetry Integr. Geom.
PY 2014
VL 10
AR 084
DI 10.3842/SIGMA.2014.084
PG 15
WC Physics, Mathematical
SC Physics
GA AM8XU
UT WOS:000340163400001
ER
PT S
AU Barranco, F
Broglia, RA
Idini, A
Potel, G
Vigezzi, E
AF Barranco, F.
Broglia, R. A.
Idini, A.
Potel, G.
Vigezzi, E.
GP IOP
TI Core polarization and neutron halos
SO XIV CONFERENCE ON THEORETICAL NUCLEAR PHYSICS IN ITALY
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 14th Conference on Theoretical Nuclear Physics in Italy
CY OCT 29-31, 2013
CL Cortona, ITALY
SP Ist Nazl Fis Nucl
ID NUCLEAR FIELD-THEORY; BE-12; EXCITATION
AB The effects of core polarization on the structure of Li and Be halos and their consequences on one-and two-neutron transfer reactions are discussed.
C1 [Barranco, F.] Univ Seville, Escuela Super Ingenieros, Dept Fis Aplicada 3, Seville 41092, Spain.
[Broglia, R. A.] Univ Studi Milano, Dipartimento Fis, I-20123 Milan, Italy.
[Broglia, R. A.; Vigezzi, E.] INFN Sez Milano, I-20133 Milan, Italy.
[Broglia, R. A.] Univ Copenhagen, Niels Bohr Inst, Copenhagen, Denmark.
[Idini, A.] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany.
[Potel, G.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
[Potel, G.] Michigan State Univ, Natl Supercond Cyclotron Lab, E Lansing, MI 48824 USA.
[Potel, G.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA.
RP Barranco, F (reprint author), Univ Seville, Escuela Super Ingenieros, Dept Fis Aplicada 3, Seville 41092, Spain.
EM vigezzi@mi.infn.it
RI Potel Aguilar, Gregory/L-6591-2014;
OI Potel Aguilar, Gregory/0000-0002-4887-7499; Barranco Paulano,
Francisco/0000-0002-7799-2736
NR 36
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 2014
VL 527
AR UNSP 012005
DI 10.1088/1742-6596/527/1/012005
PG 8
WC Physics, Multidisciplinary; Physics, Nuclear
SC Physics
GA BB0II
UT WOS:000340240100005
ER
PT S
AU Girlanda, L
Marcucci, LE
Pastore, S
Piarulli, M
Schiavilla, R
Viviani, M
AF Girlanda, L.
Marcucci, L. E.
Pastore, S.
Piarulli, M.
Schiavilla, R.
Viviani, M.
GP IOP
TI Nuclear electromagnetic processes in ChEFT
SO XIV CONFERENCE ON THEORETICAL NUCLEAR PHYSICS IN ITALY
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 14th Conference on Theoretical Nuclear Physics in Italy
CY OCT 29-31, 2013
CL Cortona, ITALY
SP Ist Nazl Fis Nucl
ID ELECTRON-DEUTERON SCATTERING; CHIRAL PERTURBATION-THEORY;
STRUCTURE-FUNCTION A(Q(2)); TENSOR POLARIZATION; ELASTIC-SCATTERING;
MOMENTUM-TRANSFER; FORM-FACTORS; RELATIVISTIC CORRECTIONS; Q2 LESS;
LAGRANGIANS
AB We review our recent work on the derivation of the nuclear electromagnetic charge and current operators in chiral perturbation theory, based on time-ordered perturbation theory. We then discuss the strategies for fixing the relevant low-energy constants, and compare the resulting predictions for the electric and magnetic form factors of the deuteron and trinucleons with experimental data, using as input accurate nuclear wave functions derived with realistic potentials.
C1 [Girlanda, L.] Univ Salento, Dept Math & Phys, I-73100 Lecce, Italy.
[Girlanda, L.] INFN, I-73100 Lecce, Italy.
[Marcucci, L. E.] Univ Pisa, Dept Phys, I-56127 Pisa, Italy.
[Viviani, M.] INFN, Sezione Pisa, I-56127 Pisa, Italy.
[Pastore, S.] Univ South Carolina, Dept Phys & Astron, Columbia, SC 29208 USA.
[Piarulli, M.; Schiavilla, R.] Old Domin Univ, Dept Phys, Norfolk, VA 23529 USA.
[Schiavilla, R.] Jefferson Lab, Ctr Theory, Newport News, VA 23606 USA.
RP Girlanda, L (reprint author), Univ Salento, Dept Math & Phys, I-73100 Lecce, Italy.
EM girlanda@le.infn.it
OI Girlanda, Luca/0000-0002-5560-005X
NR 55
TC 3
Z9 3
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 2014
VL 527
AR UNSP 012022
DI 10.1088/1742-6596/527/1/012022
PG 12
WC Physics, Multidisciplinary; Physics, Nuclear
SC Physics
GA BB0II
UT WOS:000340240100022
ER
PT J
AU Wehling, TO
Black-Schaffer, AM
Balatsky, AV
AF Wehling, T. O.
Black-Schaffer, A. M.
Balatsky, A. V.
TI Dirac materials
SO ADVANCES IN PHYSICS
LA English
DT Review
DE Dirac materials; d-wave superconductors; graphene; topological
insulators; chirality; back scattering; impurity resonance
ID 3-DIMENSIONAL TOPOLOGICAL INSULATOR; SUPERCONDUCTING GAP ANISOTROPY;
INTERCALATED BILAYER GRAPHENE; CONDENSED MATTER PHYSICS; CHIRAL-SYMMETRY
BREAKING; HEXAGONAL BORON-NITRIDE; FERMI-LIQUID BEHAVIOR; QUASI-PARTICLE
STATES; T-C SUPERCONDUCTORS; HGTE QUANTUM-WELLS
AB A wide range of materials, like d-wave superconductors, graphene, and topological insulators, share a fundamental similarity: their low-energy fermionic excitations behave as massless Dirac particles rather than fermions obeying the usual Schrodinger Hamiltonian. This emergent behavior of Dirac fermions in condensed matter systems defines the unifying framework for a class of materials we call "Dirac materials." In order to establish this class of materials, we illustrate how Dirac fermions emerge in multiple entirely different condensed matter systems and we discuss how Dirac fermions have been identified experimentally using electron spectroscopy techniques (angle-resolved photoemission spectroscopy and scanning tunneling spectroscopy). As a consequence of their common low-energy excitations, this diverse set of materials shares a significant number of universal properties in the low-energy (infrared) limit. We review these common properties including nodal points in the excitation spectrum, density of states, specific heat, transport, thermodynamic properties, impurity resonances, and magnetic field responses, as well as discuss many-body interaction effects. We further review how the emergence of Dirac excitations is controlled by specific symmetries of the material, such as time-reversal, gauge, and spin-orbit symmetries, and how by breaking these symmetries a finite Dirac mass is generated. We give examples of how the interaction of Dirac fermions with their distinct real material background leads to rich novel physics with common fingerprints such as the suppression of back scattering and impurity-induced resonant states.
C1 [Wehling, T. O.] Univ Bremen, Inst Theoret Phys, D-28359 Bremen, Germany.
[Wehling, T. O.] Univ Bremen, Bremen Ctr Computat Mat Sci, D-28359 Bremen, Germany.
[Black-Schaffer, A. M.] Uppsala Univ, Dept Phys & Astron, Uppsala, Sweden.
[Balatsky, A. V.] Nord Inst Theoret Phys NORDITA, Stockholm, Sweden.
[Balatsky, A. V.] Los Alamos Natl Lab, Inst Mat Sci, Los Alamos, NM USA.
RP Balatsky, AV (reprint author), Nord Inst Theoret Phys NORDITA, Stockholm, Sweden.
EM avb@nordita.org
RI Wehling, Tim/O-4642-2014
OI Wehling, Tim/0000-0002-5579-2231
FU US DOE BES [E304]; LDRD; University of California [UCOP-09-027]; German
Research Foundation (DFG) [SFB 668, SPP 1459]; Dirac Materials ERC
[DM-321031]; Swedish Research Council (VR)
FX We are grateful to D. Arovas, D. Abergel, R. Biswas, A. H. Castro Neto,
H. Dahal, V. Fal'ko, M. Fogelstrom, J. Fransson, M. Graf, Z. Huang, P.
Hoffmann, M. I. Katsnelson, A. I. Lichtenstein, J. Linder, F. Lombardi,
H. Manoharan, J. Moore, N. Nagaosa, K. Scharnberg, Z.X. Shen, Y. Tanaka,
O. Tjernberg, A. Yazdani, S. C. Zhang, J. X. Zhu for discussions. This
work has been supported by US DOE BES E304, LDRD, University of
California UCOP-09-027, the German Research Foundation (DFG) via SFB 668
and SPP 1459, Dirac Materials ERC-DM-321031, and the Swedish Research
Council (VR). TOW thanks KITP Santa Barbara for hospitality during a
visit where parts of this work were written.
NR 393
TC 106
Z9 106
U1 44
U2 239
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 0001-8732
EI 1460-6976
J9 ADV PHYS
JI Adv. Phys.
PY 2014
VL 63
IS 1
BP 1
EP 76
DI 10.1080/00018732.2014.927109
PG 76
WC Physics, Condensed Matter
SC Physics
GA AM9VX
UT WOS:000340230200001
ER
PT S
AU Ramkrishna, D
Singh, MR
AF Ramkrishna, Doraiswami
Singh, Meenesh R.
BE Prausnitz, JM
Doherty, MF
Segalman, RA
TI Population Balance Modeling: Current Status and Future Prospects
SO ANNUAL REVIEW OF CHEMICAL AND BIOMOLECULAR ENGINEERING, VOL 5
SE Annual Review of Chemical and Biomolecular Engineering
LA English
DT Review; Book Chapter
DE stochastic internal coordinates; crystal morphology; stem cell
differentiation; gene regulatory processes; biofilm growth; personalized
medicine
ID LIQUID-LIQUID DISPERSIONS; GROWTH-RATE DISPERSION; CELL-POPULATION;
INVERSE PROBLEMS; STEM-CELLS; CRYSTALLIZATION PROCESSES; STOCHASTIC
SIMULATION; ENZYMATIC-HYDROLYSIS; NUMERICAL-SIMULATION; STRUCTURED
MODELS
AB Population balance modeling is undergoing phenomenal growth in its applications, and this growth is accompanied by multifarious reviews. This review aims to fortify the model's fundamental base, as well as point to a variety of new applications, including modeling of crystal morphology, cell growth and differentiation, gene regulatory processes, and transfer of drug resistance. This is accomplished by presenting the many faces of population balance equations that arise in the foregoing applications.
C1 [Ramkrishna, Doraiswami; Singh, Meenesh R.] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA.
[Singh, Meenesh R.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94704 USA.
[Singh, Meenesh R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
RP Ramkrishna, D (reprint author), Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA.
EM ramkrish@ecn.purdue.edu; mrsingh@lbl.gov
OI Singh, Meenesh/0000-0002-3638-8866
NR 171
TC 23
Z9 23
U1 12
U2 59
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 1947-5438
BN 978-0-8243-5205-9
J9 ANNU REV CHEM BIOMOL
JI Annu. Rev. Chem. Biomol. Eng.
PY 2014
VL 5
BP 123
EP 146
DI 10.1146/annurev-chembioeng-060713-040241
PG 24
WC Chemistry, Applied; Engineering, Chemical
SC Chemistry; Engineering
GA BB0HX
UT WOS:000340198000008
PM 24606333
ER
PT S
AU Miller, DC
Syamlal, M
Mebane, DS
Storlie, C
Bhattacharyya, D
Sahinidis, NV
Agarwal, D
Tong, C
Zitney, SE
Sarkar, A
Sun, X
Sundaresan, S
Ryan, E
Engel, D
Dale, C
AF Miller, David C.
Syamlal, Madhava
Mebane, David S.
Storlie, Curt
Bhattacharyya, Debangsu
Sahinidis, Nikolaos V.
Agarwal, Deb
Tong, Charles
Zitney, Stephen E.
Sarkar, Avik
Sun, Xin
Sundaresan, Sankaran
Ryan, Emily
Engel, Dave
Dale, Crystal
BE Prausnitz, JM
Doherty, MF
Segalman, RA
TI Carbon Capture Simulation Initiative: A Case Study in Multiscale
Modeling and New Challenges
SO ANNUAL REVIEW OF CHEMICAL AND BIOMOLECULAR ENGINEERING, VOL 5
SE Annual Review of Chemical and Biomolecular Engineering
LA English
DT Review; Book Chapter
DE optimization; uncertainty quantification; process synthesis;
computational fluid dynamics; process control; risk analysis
ID GAS-PARTICLE FLOWS; FILTERED 2-FLUID MODELS; CO2 CAPTURE; SURROGATE
MODELS; BAYESIAN CALIBRATION; FLUIDIZED-BED; POWER-PLANTS; OPTIMIZATION;
DESIGN; MONOETHANOLAMINE
AB Advanced multiscale modeling and simulation have the potential to dramatically reduce the time and cost to develop new carbon capture technologies. The Carbon Capture Simulation Initiative is a partnership among national laboratories, industry, and universities that is developing, demonstrating, and deploying a suite of such tools, including basic data submodels, steady-state and dynamic process models, process optimization and uncertainty quantification tools, an advanced dynamic process control framework, high-resolution filtered computational-fluid-dynamics (CFD) submodels, validated high-fidelity device-scale CFD models with quantified uncertainty, and a risk-analysis framework. These tools and models enable basic data submodels, including thermodynamics and kinetics, to be used within detailed process models to synthesize and optimize a process. The resulting process informs the development of process control systems and more detailed simulations of potential equipment to improve the design and reduce scale-up risk. Quantification and propagation of uncertainty across scales is an essential part of these tools and models.
C1 [Miller, David C.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[Syamlal, Madhava; Zitney, Stephen E.] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA.
[Mebane, David S.] W Virginia Univ, Dept Mech & Aerosp Engn, Morgantown, WV 26506 USA.
[Bhattacharyya, Debangsu] W Virginia Univ, Dept Chem Engn, Morgantown, WV 26506 USA.
[Storlie, Curt; Dale, Crystal] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Sahinidis, Nikolaos V.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA.
[Agarwal, Deb] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Tong, Charles] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Sarkar, Avik; Sun, Xin; Engel, Dave] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA.
[Sundaresan, Sankaran] Princeton Univ, Dept Chem & Biol Engn, Princeton, NJ 08544 USA.
[Ryan, Emily] Boston Univ, Dept Mech Engn, Boston, MA 02215 USA.
RP Miller, DC (reprint author), US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
EM david.miller@netl.doe.gov; madhava.syamlal@netl.doe.gov;
david.mebane@mail.wvu.edu; storlie@lanl.gov;
Debangsu.Bhattacharyya@mail.wvu.edu; sahinidis@cmu.edu;
daagarwal@lbl.gov; tong10@llnl.gov; stephen.zitney@netl.doe.gov;
avik.sarkar@pnnl.gov; xin.sun@pnnl.gov; sundar@princeton.edu;
ryanem@bu.edu; dave.engel@pnnl.gov; cbdale@lanl.gov
RI Ryan, Emily/I-8183-2015; Sahinidis, Nikolaos/L-7951-2016
OI Ryan, Emily/0000-0001-6111-3269; Sahinidis, Nikolaos/0000-0003-2087-9131
NR 86
TC 18
Z9 18
U1 0
U2 16
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 1947-5438
BN 978-0-8243-5205-9
J9 ANNU REV CHEM BIOMOL
JI Annu. Rev. Chem. Biomol. Eng.
PY 2014
VL 5
BP 301
EP 323
DI 10.1146/annurev-chembioeng-060713-040321
PG 23
WC Chemistry, Applied; Engineering, Chemical
SC Chemistry; Engineering
GA BB0HX
UT WOS:000340198000015
PM 24797817
ER
PT J
AU Zeng, S
Riedi, J
Trepte, CR
Winker, DM
Hu, YX
AF Zeng, S.
Riedi, J.
Trepte, C. R.
Winker, D. M.
Hu, Y. -X.
TI Study of global cloud droplet number concentration with A-Train
satellites
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID WATER CLOUDS; OPTICAL-THICKNESS; AEROSOLS; CLIMATE; CALIPSO; MISSION;
ALBEDO; GROWTH; RADIUS; OCEAN
AB Cloud droplet number concentration (CDNC) is an important microphysical property of liquid clouds that impacts radiative forcing, precipitation and is pivotal for understanding cloud-aerosol interactions. Current studies of this parameter at global scales with satellite observations are still challenging, especially because retrieval algorithms developed for passive sensors (i.e., MODerate Resolution Imaging Spectroradiometer (MODIS)/Aqua) have to rely on the assumption of cloud adiabatic growth. The active sensor component of the A-Train constellation (i.e., Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP)/CALIPSO) allows retrievals of CDNC from depolarization measurements at 532 nm. For such a case, the retrieval does not rely on the adiabatic assumption but instead must use a priori information on effective radius (r(e)), which can be obtained from other passive sensors.
In this paper, r(e) values obtained from MODIS/Aqua and Polarization and Directionality of the Earth Reflectance (POLDER)/PARASOL (two passive sensors, components of the A-Train) are used to constrain CDNC retrievals from CALIOP. Intercomparison of CDNC products retrieved from MODIS and CALIOP sensors is performed, and the impacts of cloud entrainment, drizzling, horizontal heterogeneity and effective radius are discussed. By analyzing the strengths and weaknesses of different retrieval techniques, this study aims to better understand global CDNC distribution and eventually determine cloud structure and atmospheric conditions in which they develop. The improved understanding of CDNC can contribute to future studies of global cloud-aerosol-precipitation interaction and parameterization of clouds in global climate models (GCMs).
C1 [Zeng, S.] Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA.
[Zeng, S.; Trepte, C. R.; Winker, D. M.; Hu, Y. -X.] NASA, Langley Res Ctr, Hampton, VA 23665 USA.
[Riedi, J.] Univ Lille 1, Opt Atmospher Lab, F-59655 Villeneuve Dascq, France.
RP Zeng, S (reprint author), Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA.
EM shan.zeng@hotmail.com
RI Hu, Yongxiang/K-4426-2012
FU NASA
FX The authors are very grateful to NASA's Langley and Goddard Centers and
the French ICARE Data and Services Center for providing the CALIOP,
POLDER and MODIS data used in this study. This research has been
supported by NASA Postdoctoral Program.
NR 34
TC 5
Z9 5
U1 2
U2 19
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2014
VL 14
IS 14
BP 7125
EP 7134
DI 10.5194/acp-14-7125-2014
PG 10
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AM5XR
UT WOS:000339934900002
ER
PT J
AU Dallmann, TR
Onasch, TB
Kirchstetter, TW
Worton, DR
Fortner, EC
Herndon, SC
Wood, EC
Franklin, JP
Worsnop, DR
Goldstein, AH
Harley, RA
AF Dallmann, T. R.
Onasch, T. B.
Kirchstetter, T. W.
Worton, D. R.
Fortner, E. C.
Herndon, S. C.
Wood, E. C.
Franklin, J. P.
Worsnop, D. R.
Goldstein, A. H.
Harley, R. A.
TI Characterization of particulate matter emissions from on-road gasoline
and diesel vehicles using a soot particle aerosol mass spectrometer
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID IONIZATION CROSS-SECTIONS; POWERED MOTOR-VEHICLES; LIGHT-DUTY GASOLINE;
ORGANIC AEROSOL; HIGH-RESOLUTION; AIR-POLLUTION; LUBRICATING OIL;
IN-USE; CHEMICAL-CHARACTERIZATION; SEMIVOLATILE ORGANICS
AB Particulate matter (PM) emissions were measured in July 2010 from on-road motor vehicles driving through a highway tunnel in the San Francisco Bay area. A soot particle aerosol mass spectrometer (SP-AMS) was used to measure the chemical composition of PM emitted by gasoline and diesel vehicles at high time resolution. Organic aerosol (OA) and black carbon (BC) concentrations were measured during various time periods that had different levels of diesel influence, as well as directly in the exhaust plumes of individual heavy-duty (HD) diesel trucks. BC emission factor distributions for HD trucks were more skewed than OA distributions (N = 293), with the highest 10% of trucks accounting for 56 and 42% of total measured BC and OA emissions, respectively. OA mass spectra measured for HD truck exhaust plumes show cycloalkanes are predominate in exhaust OA emissions relative to saturated alkanes (i.e., normal and isoparaffins), suggesting that lubricating oil rather than fuel is the dominant source of primary organic aerosol (POA) emissions in diesel vehicle exhaust. This finding is supported by the detection of trace elements such as zinc and phosphorus in the exhaust plumes of individual trucks. Trace elements were emitted relative to total OA at levels that are consistent with typical weight fractions of commonly used additives present in lubricating oil. A comparison of measured OA and BC mass spectra across various sampling periods revealed a high degree of similarity in OA and BC emitted by gasoline and diesel engines. This finding indicates a large fraction of OA in gasoline exhaust is lubricant-derived as well. The similarity in OA and BC mass spectra for gasoline and diesel engine exhaust is likely to confound ambient source apportionment efforts to determine contributions to air pollution from these two important sources.
C1 [Dallmann, T. R.; Kirchstetter, T. W.; Goldstein, A. H.; Harley, R. A.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA.
[Onasch, T. B.; Fortner, E. C.; Herndon, S. C.; Franklin, J. P.; Worsnop, D. R.] Aerodyne Res Inc, Billerica, MA 01821 USA.
[Kirchstetter, T. W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Worton, D. R.; Goldstein, A. H.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA.
[Worton, D. R.] Aerosol Dynam Inc, Berkeley, CA 94710 USA.
[Wood, E. C.] Univ Massachusetts, Dept Publ Hlth, Amherst, MA 01003 USA.
RP Harley, RA (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA.
EM harley@ce.berkeley.edu
RI Worsnop, Douglas/D-2817-2009; Harley, Robert/C-9177-2016; Worton,
David/A-8374-2012
OI Worsnop, Douglas/0000-0002-8928-8017; Harley,
Robert/0000-0002-0559-1917; Dallmann, Timothy/0000-0002-6520-7796;
Worton, David/0000-0002-6558-5586
FU EPA grant [RD834553]
FX The authors thank Drew Gentner, Gabriel Isaacman, Berk Knighton, Steven
DeMartini, and the Caltrans staff at the Caldecott tunnel for their
assistance. This publication was made possible by EPA grant RD834553.
Its contents are solely the responsibility of the grantee and do not
necessarily represent the official views of the EPA. Further, EPA does
not endorse purchase of commercial products or services mentioned
herein.
NR 70
TC 23
Z9 23
U1 7
U2 67
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 2014
VL 14
IS 14
BP 7585
EP 7599
DI 10.5194/acp-14-7585-2014
PG 15
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AM5XR
UT WOS:000339934900027
ER
PT J
AU Gallagher, JR
Li, T
Zhao, HY
Liu, JJ
Lei, Y
Zhang, XY
Ren, Y
Elam, JW
Meyer, RJ
Winans, RE
Miller, JT
AF Gallagher, James R.
Li, Tao
Zhao, Haiyan
Liu, Jingjing
Lei, Yu
Zhang, Xiaoyi
Ren, Yang
Elam, Jeffrey W.
Meyer, Randall J.
Winans, Randall E.
Miller, Jeffrey T.
TI In situ diffraction of highly dispersed supported platinum nanoparticles
SO CATALYSIS SCIENCE & TECHNOLOGY
LA English
DT Article
ID X-RAY-DIFFRACTION; ATOMIC LAYER DEPOSITION; LINE-PROFILE ANALYSIS;
NANOSTRUCTURED MATERIALS; POWDER DIFFRACTION; LATTICE-PARAMETER;
CRYSTALLITE SIZE; PARTICLE-SIZE; THIN-FILMS; CATALYSTS
AB For catalytic metal nanoparticles (<2 nm), structural information is rarely generated using conventional X-ray diffraction (XRD) owing to the broad peaks and partial oxidation of the nanoparticles on exposure to air. Here we report how in situ synchrotron XRD provides structural information on reduced 1-2 nm Pt nanoparticles, which are unobservable by XRD when measured in air. Furthermore, for larger metal particles (>2 nm) where diffraction patterns of the metallic phase are obtainable in air, we show that on exposure to air the surface is oxidized with a metallic core producing misleading results with respect to particle size and lattice parameter. Results from XRD are cross-correlated with scanning transmission electron microscopy and three other synchrotron X-ray techniques, small angle diffraction (SAXS), pair distribution function (PDF) and X-ray absorption spectroscopy (XAS), to provide detailed characterization of the structure of very small nanoparticles in the metallic phase.
C1 [Gallagher, James R.; Miller, Jeffrey T.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Li, Tao; Zhao, Haiyan; Zhang, Xiaoyi; Ren, Yang; Winans, Randall E.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA.
[Liu, Jingjing; Meyer, Randall J.] Univ Illinois, Dept Chem Engn, Chicago, IL 60607 USA.
[Lei, Yu; Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA.
RP Gallagher, JR (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM millerjt@anl.gov
RI Gallagher, James/E-4896-2014; liu, jingjing/K-1183-2016
OI Gallagher, James/0000-0002-5628-5178;
FU Institute for Atom-efficient Chemical Transformations (IACT), an Energy
Frontier Research Center - U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences; National Science Foundation
[CBET-1067020]; U.S. Department of Energy, Office of Basic Energy
Sciences [DE-AC02-06CH11357]; Department of Energy; MRCAT
FX This material is based upon work supported as part of the Institute for
Atom-efficient Chemical Transformations (IACT), an Energy Frontier
Research Center funded by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences. JJL and RJM thank the National
Science Foundation (CBET-1067020) for financial support. Use of the
Advanced Photon Source was supported by the U.S. Department of Energy,
Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357.
MRCAT operations are supported by the Department of Energy and the MRCAT
member institutions. The authors also acknowledge the use of beamlines
10-BM, 11-ID-B, 11-ID-D and 12-ID-B.
NR 60
TC 6
Z9 6
U1 3
U2 35
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 2014
VL 4
IS 9
BP 3053
EP 3063
DI 10.1039/c4cy00414k
PG 11
WC Chemistry, Physical
SC Chemistry
GA AM9NN
UT WOS:000340208400033
ER
PT J
AU Kaplan, DI
Denham, ME
Zhang, S
Yeager, C
Xu, C
Schwehr, KA
Li, HP
Ho, YF
Wellman, D
Santschi, PH
AF Kaplan, D. I.
Denham, M. E.
Zhang, S.
Yeager, C.
Xu, C.
Schwehr, K. A.
Li, H. P.
Ho, Y. F.
Wellman, D.
Santschi, P. H.
TI Radioiodine Biogeochemistry and Prevalence in Groundwater
SO CRITICAL REVIEWS IN ENVIRONMENTAL SCIENCE AND TECHNOLOGY
LA English
DT Review
DE covalent bonding; fission product; iodate; iodide; Iodine-129;
Iodine-131; iodination; microbiology; organic matter; remediation; risk
assessment
ID SAVANNA RIVER SITE; SEQUENTIAL EXTRACTION PROCEDURE; DISSOLVED ORGANIC
IODINE; NEAR-EDGE STRUCTURE; DISTRIBUTION COEFFICIENTS;
ENVIRONMENTAL-SAMPLES; MOLECULAR ENVIRONMENT; ANTHROPOGENIC IODINE;
MICROBIAL COMMUNITY; TRACER EXPERIMENTS
AB I-129 is commonly either the top or among the top risk drivers, along with Tc-99, at radiological waste disposal sites and contaminated groundwater sites where nuclear material fabrication or reprocessing has occurred. The risk stems largely from I-129 having a high toxicity, a high bioaccumulation factor (90% of all the body's iodine concentrates in the thyroid), a high inventory at source terms (due to its high fission yield), an extremely long half-life (16M years), and rapid mobility in the subsurface environment. Another important reason that I-129 is a key risk driver is that there is uncertainty regarding its biogeochemical fate and transport in the environment. We typically can define I-129 mass balance and flux at sites, but cannot predict accurately its response to changes in the environment. As a consequence of some of these characteristics, I-129 has a very low drinking water standard, which is set at 1 pCi/L, the lowest of all radionuclides in the Federal Register. Recently, significant advancements have been made in detecting iodine species at ambient groundwater concentrations, defining the nature of the organic matter and iodine bond, and quantifying the role of naturally occurring sediment microbes to promote iodine oxidation and reduction. These recent studies have led to a more mechanistic understanding of radioiodine biogeochemistry. The objective of this review is to describe these advances and to provide a state of the science of radioiodine biogeochemistry relevant to its fate and transport in the terrestrial environment and provide information useful for making decisions regarding the stewardship and remediation of I-129 contaminated sites. As part of this review, knowledge gaps were identified that would significantly advance the goals of basic and applied research programs for accelerating I-129 environmental remediation and reducing uncertainty associated with disposal of I-129 waste. Together the information gained from addressing these knowledge gaps will not alter the observation that I-129 is primarily mobile, but it will likely permit demonstration that the entire I-129 pool in the source term is not moving at the same rate and some may be tightly bound to the sediment, thereby smearing the modeled I-129 peak and reducing maximum calculated risk.
C1 [Kaplan, D. I.; Denham, M. E.] Savannah River Natl Lab, Aiken, SC 29808 USA.
[Zhang, S.; Xu, C.; Schwehr, K. A.; Li, H. P.; Ho, Y. F.; Santschi, P. H.] Texas A&M Univ, Dept Marine Sci, Galveston, TX 77553 USA.
[Yeager, C.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Wellman, D.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Kaplan, DI (reprint author), Savannah River Natl Lab, Bldg 773-43A,Room 215, Aiken, SC 29808 USA.
EM daniel.kaplan@srnl.doe.gov
FU U.S. Department of Energy (DOE) Richland Operations Office; DOE's Office
of Science-Subsurface Biogeochemistry Research program; DOE's Site
Restoration program [EM-12]; U.S. Department of Energy
[DE-AC09-08SR22470]
FX Funding for this work was provided by the U.S. Department of Energy
(DOE) Richland Operations Office to the Deep Vadose Zone-Applied Field
Research Initiative at Pacific Northwest National Laboratory, DOE's
Office of Science-Subsurface Biogeochemistry Research program, and the
DOE's Site Restoration program, EM-12. The Savannah River National
Laboratory, Savannah River Nuclear Solutions, LLC, operates for the U.S.
Department of Energy under contract number DE-AC09-08SR22470.
NR 156
TC 7
Z9 7
U1 7
U2 40
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 1064-3389
EI 1547-6537
J9 CRIT REV ENV SCI TEC
JI Crit. Rev. Environ. Sci. Technol.
PY 2014
VL 44
IS 20
BP 2287
EP 2335
DI 10.1080/10643389.2013.828273
PG 49
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA AM8WO
UT WOS:000340159700002
ER
PT J
AU Warne, LK
Jorgenson, RE
Kotulski, JD
Lee, KSH
AF Warne, L. K.
Jorgenson, R. E.
Kotulski, J. D.
Lee, K. S. H.
TI Time Harmonic Two-Dimensional Cavity Scar Statistics: Concave Mirrors
and Stadium
SO ELECTROMAGNETICS
LA English
DT Article
DE cavity; scar; field; stadium; high frequency; unstable orbit
ID CHAOTIC MICROWAVE CAVITIES; PERIODIC-ORBITS; REVERBERATION CHAMBER;
SCATTERING MATRICES; QUANTUM CHAOS; IMPEDANCE
AB This article is a sequel to a previous article dealing with localization of time-harmonic, high-frequency modal fields in a two-dimensional cavity along periodic paths between opposing sides of the cavity. The cases where these paths (or orbits) lead to unstable localized modes are known as scars. In the present article, a stadium-like cavity with concave walls on opposing sides is treated. In contrast to the previous case of a bowtie cavity with convex walls and foci outside the region of consideration, a stadium cavity contains interior foci.
C1 [Warne, L. K.; Jorgenson, R. E.; Kotulski, J. D.] Sandia Natl Labs, Electromagnet Theory Dept, Albuquerque, NM 87185 USA.
RP Warne, LK (reprint author), Sandia Natl Labs, Electromagnet Theory Dept, POB 5800, Albuquerque, NM 87185 USA.
EM lkwarne@sandia.gov
FU U.S. Department of Energy [DE-AC04-94AL85000]
FX Sandia is a multi-program laboratory operated by Sandia Corporation, a
Lockheed Martin Company, for the U.S. Department of Energy under
contract DE-AC04-94AL85000.
NR 39
TC 1
Z9 1
U1 0
U2 1
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 CHESTNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0272-6343
EI 1532-527X
J9 ELECTROMAGNETICS
JI Electromagnetics
PY 2014
VL 34
IS 6
BP 431
EP 462
DI 10.1080/02726343.2014.922394
PG 32
WC Engineering, Electrical & Electronic
SC Engineering
GA AM8IT
UT WOS:000340118100001
ER
PT B
AU Wang, XF
Li, BY
AF Wang, Xianfeng
Li, Bingyun
BE Ding, B
Yu, J
TI Electrospun Nanofibrous Sorbents and Membranes for Carbon Dioxide
Capture
SO ELECTROSPUN NANOFIBERS FOR ENERGY AND ENVIRONMENTAL APPLICATIONS
SE Nanostructure Science and Technology
LA English
DT Article; Book Chapter
ID METAL-ORGANIC FRAMEWORKS; CO2 CAPTURE; ACTIVATED CARBON; IONIC LIQUIDS;
ADSORPTION PROPERTIES; FIBROUS ADSORBENT; SOLID SORBENTS; GAS
SEPARATION; MOF MEMBRANES; AMINO-ACID
AB CO2 emission resulting from combustion of fossil fuel is a major anthropogenic factor for global warming. Current commercial CO2 capture approaches using aqueous amine scrubbing require high energy consumption for regeneration which leads to significantly decreased efficiency. Therefore, novel CO2 capture materials and technologies for economical CO2 capture are of the utmost importance. Nanofibers, mainly fabricated by electrospinning, have unique porous structure, high surface area, and good mechanical properties thereby exhibit potential as advanced sorbents for CO2 capture and storage. More significantly, nanofiber-based sorbents are expected to have extremely low resistance for gas transport and extremely fast kinetics due to the unique structure of nanofibers. In this chapter, we summarize recent progress in the development of electrospun nanofibrous sorbents or membranes (e.g., nanofiber-supported metal-organic frameworks, carbon nanofibers, ionic liquid-based nanofibrous membranes, metal oxide nanofibers, etc.) for CO2 capture, describe the types of nanofibrous materials that have been developed, and discuss their fabrication variables and CO2 adsorption performance in detail. This chapter may pave the way for developing advanced nanofibrous sorbents for CO2 capture from power plants and even the atmosphere.
C1 [Wang, Xianfeng; Li, Bingyun] USDA, Natl Energy Technol Lab, Morgantown, WV 26505 USA.
[Wang, Xianfeng; Li, Bingyun] W Virginia Univ, Sch Med, Dept Orthopaed, Morgantown, WV 26506 USA.
RP Li, BY (reprint author), W Virginia Univ, Sch Med, Dept Orthopaed, Morgantown, WV 26506 USA.
EM bili@hsc.wvu.edu
NR 45
TC 0
Z9 0
U1 2
U2 12
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
BN 978-3-642-54160-5; 978-3-642-54159-9
J9 NANOSTRUCT SCI TECHN
PY 2014
BP 249
EP 263
DI 10.1007/978-3-642-54160-5_10
D2 10.1007/978-3-642-54160-5
PG 15
WC Electrochemistry; Nanoscience & Nanotechnology; Polymer Science
SC Electrochemistry; Science & Technology - Other Topics; Polymer Science
GA BA7WU
UT WOS:000337826300011
ER
PT J
AU Riley, WJ
Shen, C
AF Riley, W. J.
Shen, C.
TI Characterizing coarse-resolution watershed soil moisture heterogeneity
using fine-scale simulations
SO HYDROLOGY AND EARTH SYSTEM SCIENCES
LA English
DT Article
ID DISTRIBUTED HYDROLOGICAL MODEL; SURFACE PROCESSES MODEL; SPATIAL
VARIABILITY; TEMPORAL DYNAMICS; LAND-USE; CATCHMENT; HILLSLOPE;
BIOGEOCHEMISTRY; TOPOGRAPHY; FIELDS
AB Watershed-scale hydrological and biogeochemical models are usually discretized at resolutions coarser than where significant heterogeneities in topography, abiotic factors (e.g., soil properties), and biotic (e.g., vegetation) factors exist. Here we report on a method to use fine-scale (220m grid cells) hydrological model predictions to build reduced-order models of the statistical properties of near-surface soil moisture at coarse resolution (2(5) times coarser, similar to 7 km). We applied a watershed-scale hydrological model (PAWS-CLM4) that has been previously tested in several watersheds. Using these simulations, we developed simple, relatively accurate (R-2 similar to 0.7-0.8), reduced-order models for the relationship between mean and higher-order moments of near-surface soil moisture during the nonfrozen periods over five years. When applied to transient predictions, soil moisture variance and skewness were relatively accurately predicted (R-2 similar to 0.7-0.8), while the kurtosis was less accurately predicted (R-2 similar to 0.5). We also tested 16 system attributes hypothesized to explain the negative relationship between soil moisture mean and variance toward the wetter end of the distribution and found that, in the model, 59% of the variance of this relationship can be explained by the elevation gradient convolved with mean evapotranspiration. We did not find significant relationships between the time rate of change of soil moisture variance and covariances between mean moisture and evapotranspiration, drainage, or soil properties, as has been reported in other modeling studies. As seen in previous observational studies, the predicted soil moisture skewness was predominantly positive and negative in drier and wetter regions, respectively. In individual coarse-resolution grid cells, the transition between positive and negative skewness occurred at a mean soil moisture of similar to 0.25-0.3. The type of numerical modeling experiments presented here can improve understanding of the causes of soil moisture heterogeneity across scales, and inform the types of observations required to more accurately represent what is often unresolved spatial heterogeneity in regional and global hydrological models.
C1 [Riley, W. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Syst Div, Climate & Carbon Dept, Berkeley, CA 94720 USA.
[Shen, C.] Penn State Univ, Dept Civil & Environm Engn, University Pk, PA 16802 USA.
RP Riley, WJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Syst Div, Climate & Carbon Dept, Berkeley, CA 94720 USA.
EM wjriley@lbl.gov
RI Riley, William/D-3345-2015;
OI Riley, William/0000-0002-4615-2304; Shen, Chaopeng/0000-0002-0685-1901
FU Office of Science, Office of Biological and Environmental Research, of
the US Department of Energy [DE-AC02-05CH11231]; Next-Generation
Ecosystem Experiments (NGEE Arctic) project; Office of Biological and
Environmental Research in the DOE Office of Science [DE-AC02-05CH11231];
Office of Biological and Environmental Research of the US Department of
Energy [DE-SC0010620]
FX This research was supported by the Director, Office of Science, Office
of Biological and Environmental Research, of the US Department of Energy
under contract no. DE-AC02-05CH11231 as part of their Regional and
Global Climate Modeling Program; and by the Next-Generation Ecosystem
Experiments (NGEE Arctic) project, supported by the Office of Biological
and Environmental Research in the DOE Office of Science under contract
no. DE-AC02-05CH11231. C. Shen was supported by the Office of Biological
and Environmental Research of the US Department of Energy under contract
no. DE-SC0010620. Cartographical help from Kuai Fang and Xinye Ji is
appreciated.
NR 84
TC 13
Z9 13
U1 2
U2 22
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1027-5606
EI 1607-7938
J9 HYDROL EARTH SYST SC
JI Hydrol. Earth Syst. Sci.
PY 2014
VL 18
IS 7
BP 2463
EP 2483
DI 10.5194/hess-18-2463-2014
PG 21
WC Geosciences, Multidisciplinary; Water Resources
SC Geology; Water Resources
GA AM5KI
UT WOS:000339896400001
ER
PT S
AU Boag, S
Jiang, CY
Tong, X
Parnell, SR
AF Boag, S.
Jiang, C. Y.
Tong, X.
Parnell, S. R.
BE Ioffe, A
TI Lifetime behaviour and polarization stability in He-3 neutron spin
filter cells
SO INTERNATIONAL WORKSHOP ON NEUTRON OPTICS AND DETECTORS (NOP&D 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT International Workshop on Neutron Optics and Detectors (NOP&D)
CY JUL 02-05, 2013
CL Munich, GERMANY
SP Forschungszentrum Julich GmbH, Julich Ctr Neutron Sci, European Spallat Source Scandinavia, Swiss Neutron, Mirotron Ltd, S DH Heidelberg, ASTRIUM
ID NUCLEAR-RELAXATION; SCATTERING; GLASS; GAS; SURFACES; NMR
AB The successful use of He-3 cells in polarized neutron applications demands that once polarized the gas has both a long relaxation time and high polarization. In spin-exchange optical pumping the cell characteristics determine the maximum polarization as well as the lifetime.
We report on our experience of neutron spin filter cells, showing results on the orientation dependence of such cells. We observe a previously observed lifetime hysterisis effect in He-3 cell relaxation lifetime and include new measurements of the angular dependence of the relaxation lifetime, that are characteristic of a dipolar effect which diminishes upon repeated pumping/cooling cycles. We present demonstrations of magnetization effects in He-3 and Xe-129 cells and show the applicability of using sol-gel coatings on reducing the magnetization effect in Xe-129 cells.
We report recent results of the stability of the polarization in new SEOP cells, which was evident for 2 states, one with high energy spin state, low T-1 orientation and the second with low energy spin state, high T-1 orientation. These results are suggestive of an abnormal relaxation and have only been observed for cells with short (T-1 <10 Hours) lifetimes.
C1 [Boag, S.] Rutherford Appleton Lab, ISIS Neutron & Muon Facil, Didcot OX11 0QX, Oxon, England.
[Jiang, C. Y.; Tong, X.] Oak Ridge Natl Lab, Instrument & Source Design Div, Oak Ridge, TN USA.
[Parnell, S. R.] Indiana Univ, Ctr Explorat Energy & Matter, Bloomington, IN 47405 USA.
RP Boag, S (reprint author), Rutherford Appleton Lab, ISIS Neutron & Muon Facil, Didcot OX11 0QX, Oxon, England.
EM stephen.boag@stfc.ac.uk
RI tong, Xin/C-4853-2012;
OI tong, Xin/0000-0001-6105-5345; Jiang, Chenyang/0000-0002-6321-3164
FU National Science Foundation [DMR-956741]
FX Research at the OakRidge National Laboratory's Spallation Neutron Source
was ponsored by the Scientific User Facilities Division, Office of Basic
Energy Sciences and the U.S.Department of Energy .Steven Parnell
acknowledges funding through a National Science Foundation Grant
DMR-956741.The authors would like to thank JuanParra-Robles for
assistance with the Sol Gelcoating, Graham Norquay for
the129XeT1 measurements and Jim Wild for useful discussions
NR 33
TC 2
Z9 2
U1 0
U2 2
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 528
AR UNSP 012019
DI 10.1088/1742-6596/528/1/012019
PG 8
WC Optics; Physics, Multidisciplinary
SC Optics; Physics
GA BB0IO
UT WOS:000340245000019
ER
PT S
AU Syromyatnikov, VG
Ulyanov, VA
Lauter, V
Pusenkov, VM
Ambaye, H
Goyette, R
Hoffmann, M
Bulkin, AP
Kuznetsov, IN
Medvedev, EN
AF Syromyatnikov, V. G.
Ulyanov, V. A.
Lauter, V.
Pusenkov, V. M.
Ambaye, H.
Goyette, R.
Hoffmann, M.
Bulkin, A. P.
Kuznetsov, I. N.
Medvedev, E. N.
BE Ioffe, A
TI A new type of wide-angle supermirror analyzer of neutron polarization
SO INTERNATIONAL WORKSHOP ON NEUTRON OPTICS AND DETECTORS (NOP&D 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT International Workshop on Neutron Optics and Detectors (NOP&D)
CY JUL 02-05, 2013
CL Munich, GERMANY
SP Forschungszentrum Julich GmbH, Julich Ctr Neutron Sci, European Spallat Source Scandinavia, Swiss Neutron, Mirotron Ltd, S DH Heidelberg, ASTRIUM
AB We describe here a new type of wide-angle supermin-or-based multichannel analyzer configured in the fan orientation. The increased channel width allows for reflections only from one of the channel's walls, so that the overlap of beams propagating through neighboring channels is avoided. However the straight beam, which is unavoidably propagating through the channels with the increased width, is blocked by an absorbing mask at the entrance of the analyzer. The neutron transmission of such analyzer is 22% higher and the number of the supermirrors needed to cover the same beam cross section is 16% less in comparison with a conventional fan analyzer. Results of the calculations and first tests of the analyzer at the Magnetism Reflectometer at Oak Ridge National Laboratory, USA, are presented.
C1 [Syromyatnikov, V. G.; Ulyanov, V. A.; Pusenkov, V. M.; Bulkin, A. P.; Kuznetsov, I. N.; Medvedev, E. N.] Petersburg Nucl Phys Inst, Neutron Res Dept, St Petersburg 188300, Russia.
[Syromyatnikov, V. G.] St Petersburg State Univ, Dept Phys, St Petersburg 198504, Russia.
[Lauter, V.; Ambaye, H.; Goyette, R.; Hoffmann, M.] Oak Ridge Natl Lab, Neutron Sci Directorate, Oak Ridge, TN USA.
RP Syromyatnikov, VG (reprint author), Petersburg Nucl Phys Inst, Neutron Res Dept, St Petersburg 188300, Russia.
EM svg@pnpi.spb.ru
RI Ambaye, Haile/D-1503-2016
OI Ambaye, Haile/0000-0002-8122-9952
FU RFBR [12- 02- 12066- ofi_ m]; U. S. Department of Energy; Office of
Energy Efficiency and Renewable Energy
FX This work was partly supported by RFBR grant No. 12- 02- 12066- ofi_ m.
The work performed at SNS at ORNL is sponsored by U. S. Department of
Energy, Office of Energy Efficiency and Renewable Energy. Authors also
thank S. I. Kalinin for help in the designing of the analyzer, A. G.
Gilev for calculations of the analyzer magnetic system, N. K. Pleshanov
for his interest in this work.
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 2014
VL 528
AR UNSP 012021
DI 10.1088/1742-6596/528/1/012021
PG 7
WC Optics; Physics, Multidisciplinary
SC Optics; Physics
GA BB0IO
UT WOS:000340245000021
ER
PT S
AU Wang, T
Li, F
Parnell, SR
Hamilton, WA
Kaiser, H
Washington, AL
Baxter, DV
Pynn, R
AF Wang, T.
Li, F.
Parnell, S. R.
Hamilton, W. A.
Kaiser, H.
Washington, A. L.
Baxter, D. V.
Pynn, R.
BE Ioffe, A
TI Neutron spin manipulation devices using YBCO films
SO INTERNATIONAL WORKSHOP ON NEUTRON OPTICS AND DETECTORS (NOP&D 2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT International Workshop on Neutron Optics and Detectors (NOP&D)
CY JUL 02-05, 2013
CL Munich, GERMANY
SP Forschungszentrum Julich GmbH, Julich Ctr Neutron Sci, European Spallat Source Scandinavia, Swiss Neutron, Mirotron Ltd, S DH Heidelberg, ASTRIUM
ID POLARIZATION ANALYSIS; SCATTERING; ECHO; PERFORMANCE; DESIGN
AB The Meissner effect in a thin-film superconductor can be used to create a sharp boundary between regions of different magnetic field and hence can be used as a component of neutron spin manipulation devices. We have developed two cryogenic neutron spin manipulation devices using single-crystal, high-T-c, YBCO films, which can be cooled without using liquid cryogens and eliminate small angle scattering associated with polycrystalline films. The devices are a spin flipper and a spin precession device both of which use 350-nm-thick YBCO films covered with gold on a 0.5 mm thick sapphire substrate. The spin flipper consists of one such film mounted on an oxygen-free copper frame and connected to a closed-cycle He refrigerator. The flipper is capable of working with a maximum neutron beam size of 42 x 42 mm(2) and can be used with both vertical and horizontal guide fields. The spin precession device was constructed by mounting two of the YBCO films parallel to one another with an H-magnet between them. By changing the current through the H - magnet, the precession of the neutron polarisation between the films can be controlled. Tests at the Low Energy Neutron Source (LENS) show that this device is capable of generating controlled spin precession for a neutron beam up to 20 x 20 mm(2) in cross section.
C1 [Wang, T.; Li, F.; Parnell, S. R.; Washington, A. L.; Baxter, D. V.; Pynn, R.] Indiana Univ, Ctr Explorat Energy & Matter, Bloomington, IN 47405 USA.
[Hamilton, W. A.; Pynn, R.] Oak Ridge Natl Lab, Neutron Sci Directorate, Oak Ridge, TN USA.
[Kaiser, H.] Univ Missouri, Res Reactor Ctr, Columbia, MO USA.
RP Wang, T (reprint author), Indiana Univ, Ctr Explorat Energy & Matter, Bloomington, IN 47405 USA.
RI Baxter, David /D-3769-2013;
OI Baxter, David /0000-0003-2812-0904; Washington,
Adam/0000-0002-3243-1556; Li, Fankang/0000-0001-8859-0102
FU National Science Foundation [DMR-0956741, DMR 0220560, DMR-0320627]; 21
st Century Science and Technology fund of Indiana ,IndianaUniversity
,and the Department of Defence
FX This project is supported by National Science Foundation grant
DMR-0956741.We would like to acknowledge Eddy Lelievere-Berna (ILL
,France) for seful discussions on the radiation shield construction,
Jack Doskow (Indiana niversity Bloomington, USA) for producing the
drawings and XinLi (Indiana University Bloomington, SA, now OakRidge
National Laboratory, USA) for assistance with the SANS measurements.
Construction of LENS was supported by the National Science Foundation
grants DMR 0220560 and DMR-0320627, the 21 st Century Science and
Technology fund of Indiana ,IndianaUniversity ,and the Department of
Defence
NR 22
TC 4
Z9 4
U1 0
U2 7
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 528
AR UNSP 012024
DI 10.1088/1742-6596/528/1/012024
PG 8
WC Optics; Physics, Multidisciplinary
SC Optics; Physics
GA BB0IO
UT WOS:000340245000024
ER
PT J
AU Nielsen, J
Tokuhiro, A
Hiromoto, R
Khatry, J
AF Nielsen, Joseph
Tokuhiro, Akira
Hiromoto, Robert
Khatry, Jivan
TI Optimization method to branch-and-bound large SBO state spaces under
dynamic probabilistic risk assessment via use of LENDIT scales and S2R2
sets
SO JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY
LA English
DT Article
DE PRA; dynamic PSA; metric scales; sets; linear programming;
branch-and-bound
ID EVENT TREES
AB Traditional probabilistic risk assessment (PRA) methods have been developed to evaluate risk associated with complex systems; however, PRA methods lack the capability to evaluate complex dynamic systems. In these systems, time and energy scales associated with transient events may vary as a function of transition times and energies to arrive at a different physical state. Dynamic PRA (DPRA) methods provide a more rigorous analysis of complex dynamic systems. Unfortunately DPRA methods introduce issues associated with combinatorial explosion of states. In order to address this combinatorial complexity, a branch-and-bound optimization technique is applied to the DPRA formalism to control the combinatorial state explosion. In addition, a new characteristic scaling metric (LENDIT - length, energy, number, distribution, information and time) is proposed as linear constraints that are used to guide the branch-and-bound algorithm to limit the number of possible states to be analyzed. The LENDIT characterization is divided into four groups or sets - 'state, system, resource and response' (S2R2) - describing reactor operations (normal and off-normal). In this paper we introduce the branch-and-bound DPRA approach and the application of LENDIT scales and S2R2 sets to a station blackout (SBO) transient.
C1 [Nielsen, Joseph] Idaho Natl Lab, Idaho Falls, ID 83402 USA.
[Nielsen, Joseph; Tokuhiro, Akira; Khatry, Jivan] Univ Idaho, Dept Mech Engn, Idaho Falls, ID 83402 USA.
[Nielsen, Joseph; Tokuhiro, Akira; Khatry, Jivan] Univ Idaho, Nucl Engn Program, Idaho Falls, ID 83402 USA.
[Hiromoto, Robert] Univ Idaho, Dept Comp Sci, Idaho Falls, ID 83402 USA.
RP Tokuhiro, A (reprint author), Univ Idaho, Dept Mech Engn, 1776 Sci Ctr Dr, Idaho Falls, ID 83402 USA.
EM tokuhiro@uidaho.edu
FU Laboratory Directed Research and Development (LDRD) program of the Idaho
National Laboratory (INL) [00119, 00042246]
FX The authors would like to thank the Laboratory Directed Research and
Development (LDRD) program of the Idaho National Laboratory (INL)
[release number 00119 under blanket master contract number 00042246] for
supporting this research.
NR 14
TC 0
Z9 0
U1 0
U2 0
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 0022-3131
EI 1881-1248
J9 J NUCL SCI TECHNOL
JI J. Nucl. Sci. Technol.
PY 2014
VL 51
IS 10
BP 1212
EP 1230
DI 10.1080/00223131.2014.917995
PG 19
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA AM8FN
UT WOS:000340107700005
ER
PT J
AU Torok, J
Srivats, B
Memon, S
Herbol, H
Schad, J
Das, S
Ocola, L
Denbeaux, G
Brainard, RL
AF Torok, Justin
Srivats, Bharath
Memon, Shahid
Herbol, Henry
Schad, Jonathan
Das, Sanjana
Ocola, Leonidas
Denbeaux, Greg
Brainard, Robert L.
TI Electron Penetration Depths in EUV Photoresists
SO JOURNAL OF PHOTOPOLYMER SCIENCE AND TECHNOLOGY
LA English
DT Article
DE EUV; Secondary Electrons; Penetration Depth; Photoresist
ID LITHOGRAPHY
AB One of the obstacles hindering the transition from 193 nm to extreme ultraviolet (EUV) photolithography is photoresist performance. However, design of next generation chemically-amplified EUV resists necessitates that we fully understand the mechanisms underlying photoacid generation. In particular, we would like to determine the effective distance the low-energy electrons generated during EUV exposure travel within resists while continuing to induce photoacid generator (PAG) decomposition, since diffusion length carries important implications for resolution and line edge roughness. Here, we demonstrate two novel experimental approaches for obtaining electron diffusion length in resists using top-down electron beam exposure: thickness loss experiments and in situ mass spectrometry.
C1 [Torok, Justin; Srivats, Bharath; Memon, Shahid; Herbol, Henry; Schad, Jonathan; Das, Sanjana; Denbeaux, Greg; Brainard, Robert L.] SUNY Albany, Coll Nanoscale Sci & Engn, Albany, NY 12203 USA.
[Ocola, Leonidas] Argonne Natl Labs, Argonne, IL 60439 USA.
RP Torok, J (reprint author), SUNY Albany, Coll Nanoscale Sci & Engn, 257 Fuller Rd, Albany, NY 12203 USA.
OI Ocola, Leonidas/0000-0003-4990-1064
FU College of Nanoscale Science and Engineering (CNSE); U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-06CH11357]
FX We thank the College of Nanoscale Science and Engineering (CNSE) and
specifically, Senior Vice President Alain Kaloyeros for financial
support of this project. We also thank the supplier of our commercial
resist. The use of the Center for Nanoscale Materials, Argonne National
Laboratory was supported by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, under Contract No.
DE-AC02-06CH11357.
NR 3
TC 8
Z9 8
U1 7
U2 28
PU TECHNICAL ASSOC PHOTOPOLYMERS,JAPAN
PI CHIBA
PA CHIBA UNIV, FACULTY ENGINEERING, YAYOICHO, CHIBA, 263-8522, JAPAN
SN 0914-9244
J9 J PHOTOPOLYM SCI TEC
JI J. Photopolym Sci. Technol.
PY 2014
VL 27
IS 5
BP 611
EP 615
PG 5
WC Polymer Science
SC Polymer Science
GA AM9WB
UT WOS:000340230600011
ER
PT J
AU Delacourt, C
Ridgway, PL
Srinivasan, V
Battaglia, V
AF Delacourt, C.
Ridgway, Paul L.
Srinivasan, V.
Battaglia, V.
TI Measurements and Simulations of Electrochemical Impedance Spectroscopy
of a Three-Electrode Coin Cell Design for Li-Ion Cell Testing
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID ELECTRODE CONTRIBUTIONS; BATTERIES; DISTORTIONS; GEOMETRY; SOFC
AB A 2-D mathematical model of the secondary current distribution in a three-electrode cell is used in order to understand distortion of impedance spectra influenced by the position of the reference electrode (RE) in a cell when one electrode extends past the other. The cell setup consists of a modified coin cell, i.e., working and counter electrodes face each other, and a RE is positioned behind the counter electrode (CE) that has a small hole in it to allow for electrolyte access. This configuration shows large distortion of WE and CE impedance data when taken against the RE. The WE/RE impedance is underestimated and contains a negative impedance contribution from the CE whereas the CE/RE impedance is overestimated and contains a positive impedance contribution from the WE. As supported by simulations, the distortions arise from a radial ionic current flowing from the WE toward the edge of the CE hole, and are minimized through an increase of the electrolyte conductivity, an increase of the separator thickness, or a decrease of the hole size in the CE. The distortions nearly disappear when an additional hole is included in the WE that is perfectly aligned with the hole in the CE. These results should be considered whenever designing a 3-electrode cell where the RE is not sandwiched between the two other electrodes. (C) The Author(s) 2014. Published by ECS. All rights reserved.
C1 [Delacourt, C.] Univ Picardie Jules Verne, CNRS, UMR 7314, Lab Reactivite & Chim Solides, Amiens, France.
[Delacourt, C.; Ridgway, Paul L.; Srinivasan, V.; Battaglia, V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
RP Delacourt, C (reprint author), Univ Picardie Jules Verne, CNRS, UMR 7314, Lab Reactivite & Chim Solides, Amiens, France.
EM charles.delacourt@u-picardie.fr
FU Office of Vehicle Technologies of the U.S. Department of Energy under
Batteries for Advanced Transportation Technologies (BATT) Program
[DE-AC02-05CH11231]
FX This work was partly supported by the Assistant Secretary for Energy
Efficiency and Renewable Energy, Office of Vehicle Technologies of the
U.S. Department of Energy under Contract No. DE-AC02-05CH11231, under
the Batteries for Advanced Transportation Technologies (BATT) Program.
NR 17
TC 11
Z9 11
U1 3
U2 27
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 2014
VL 161
IS 9
BP A1253
EP A1260
DI 10.1149/2.0311409jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AM7BL
UT WOS:000340019600011
ER
PT J
AU Lengyel, M
Zhang, XF
Atlas, G
Bretscher, HL
Belharouak, I
Axelbaum, RL
AF Lengyel, Miklos
Zhang, Xiaofeng
Atlas, Gal
Bretscher, Hope L.
Belharouak, Ilias
Axelbaum, Richard L.
TI Composition Optimization of Layered Lithium Nickel Manganese Cobalt
Oxide Materials Synthesized via Ultrasonic Spray Pyrolysis
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID LI-ION BATTERIES; CATHODE-MATERIALS; ELECTROCHEMICAL PROPERTIES;
HIGH-CAPACITY; STRUCTURAL-CHARACTERIZATION; COPRECIPITATION METHOD;
ELECTRODE MATERIALS; HIGH-TEMPERATURE; SPHERICAL SHAPE; CO ELECTRODES
AB Lithium-rich, layered composites of xLi(2)MnO(3)center dot(1-x)Li(Ni1/3Mn1/3Co1/3)O-2 were synthesized via spray pyrolysis to identify the chemistry yielding optimal electrochemical performance for materials produced by this method. The x values selected for optimization were x = 0.3, 0.5, 0.7, equivalent to Li1.14Mn0.46Ni0.2Co0.2O2, Li1.2Mn0.54Ni0.13Co0.13O2 and Li1.2Mn0.6Ni0.13Co0.07O2, respectively. The materials were annealed at 850 C or 900 degrees C for 2 hours, and then tested in coin cells. Li1.2Mn0.54Ni0.13Co0.13O2 annealed at 900 degrees C displayed the best electrochemical performance with excellent capacity retention, displaying a reversible capacity of 236 mAhg(-1) after 100 cycles when cycled between 2.0-4.8 V at C/10 rate, where IC = 280 mAg(-1). The cycling profiles display voltage fade, presumably due to a layered-spinel phase transformation. The synthesis method leads to high purity and excellent uniformity at the nanoscale, and the materials have less voltage fade compared to similar materials produced by co-precipitation. Voltage fade is more pronounced when the upper cut-off voltage is 4.8 V, as opposed to 4.6 V. A decrease in the Li2MnO3 content of the material reduces voltage fade, such that x = 0.3 (or Li1.14Mn0.46Ni0.2Co0.2O2) shows the best structural stability over cycling. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Lengyel, Miklos; Atlas, Gal; Bretscher, Hope L.; Axelbaum, Richard L.] Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA.
[Zhang, Xiaofeng; Belharouak, Ilias] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Lengyel, M (reprint author), Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA.
EM axelbaum@wustl.edu
OI Belharouak, Ilias/0000-0002-3985-0278
FU NSF [0928964]; X-Tend Energy, LLC.; Nano Research Facility (NRF);
National Science Foundation [ECS-0335765]
FX The authors are grateful for support from the NSF under Grant No.
0928964 and from X-Tend Energy, LLC. This work was also supported by the
Nano Research Facility (NRF), a member of the National Nanotechnology
Infrastructure Network (NNIN), which is supported by the National
Science Foundation under Grant No. ECS-0335765. Any opinions, findings,
conclusions, or recommendations expressed in this material are those of
the author(s) and do not necessarily reflect the views of the National
Science Foundation. NRF is part of the School of Engineering and Applied
Science at Washington University in St. Louis. RLA and Washington
University in St. Louis may receive income based on licensing of related
technology by the University to X-tend Energy, LLC. The results were
partly presented at the 2012 Spring meeting of the Electrochemical
Society, May 6-10 2012 in Seattle, WA in abstract # 304 and at the 2012
Fall meeting of the Electrochemical Society, October 7-12 in Honolulu,
HI in abstract # 0805.
NR 89
TC 5
Z9 5
U1 5
U2 45
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 2014
VL 161
IS 9
BP A1338
EP A1349
DI 10.1149/2.0681409jes
PG 12
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AM7BL
UT WOS:000340019600023
ER
PT J
AU Brady, MP
Fayek, M
Elsentriecy, HH
Unocic, KA
Anovitz, LM
Keiser, JR
Song, GL
Davis, B
AF Brady, M. P.
Fayek, M.
Elsentriecy, H. H.
Unocic, K. A.
Anovitz, L. M.
Keiser, J. R.
Song, G. L.
Davis, B.
TI Tracer Film Growth Study of Hydrogen and Oxygen from the Corrosion of
Magnesium in Water
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID GRAIN-BOUNDARY SEGREGATION; AUTOMOTIVE APPLICATIONS; OXIDE SCALES; CR
METAL; ALLOYS; OXIDATION; MECHANISM; VAPOR; SIMS; ALPHA-AL2O3
AB An isotopic tracer study of the film growth mechanism for pure magnesium, AZ31B, and ZE10A (Elektron 717, E717) magnesium alloys in water at room temperature was performed. A series of individual and sequential exposures were conducted in both H-2 O-18 and D-2 O-16, with isotopic tracer profiles obtained using secondary ion mass spectrometry (SIMS). The water-formed films consisted primarily of partially hydrated MgO. The SIMS sputter depth profiles indicate that H and D penetrated throughout the film and into the underlying metal, particularly for the Zr- and Nd-containing E717 alloy. Film growth for the UHP Mg involved aspects of both metal outward diffusion and oxygen/hydrogen inward diffusion. In contrast, the film on the Al-containing AZ31B alloy grew primarily by inward oxygen and inward hydrogen diffusion. The O-18 and D profiles for the film formed on E717 were the most complex, with the O-18 data most consistent with inward lattice oxygen diffusion, but the D data suggests inward, short-circuit diffusion through the film. It is speculated that preferential inward short circuit hydrogen transport may have been aided by the presence of nano Zn2Zr3 particles throughout the E717 film. Such hydrogen penetration may have implications from both a corrosion resistance and hydrogen storage perspective. (C) The Author(s) 2014. 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 [Brady, M. P.; Elsentriecy, H. H.; Unocic, K. A.; Anovitz, L. M.; Keiser, J. R.; Song, G. L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Fayek, M.] Univ Manitoba, Winnipeg, MB R3T 2N2, Canada.
[Elsentriecy, H. H.] Cent Met Res & Dev Inst, Cairo, Egypt.
[Davis, B.] Magnesium Elektron North Amer, Madison, IL 62060 USA.
RP Brady, MP (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM bradymp@oml.gov
RI Brady, Michael/A-8122-2008; Song, Guang-Ling/D-9540-2013; Anovitz,
Lawrence/P-3144-2016
OI Brady, Michael/0000-0003-1338-4747; Song,
Guang-Ling/0000-0002-9802-6836; Anovitz, Lawrence/0000-0002-2609-8750
FU U.S. Department of Energy, Energy Efficiency & Renewable Energy Vehicle
Technologies Office; ORNL's Shared Research Equipment (ShaRE) User
Program - Office of Basic Energy Sciences, the U.S. Department of Energy
FX The authors thank D.W. Coffey, T.M. Lowe, T. Geer and T.L. Jordan for
assistance with the experimental work. S. Dryepondt, H.M. Meyer III, and
B.A. Pint provided comments and suggestions on the results and
manuscript. This research was sponsored by the U.S. Department of
Energy, Energy Efficiency & Renewable Energy Vehicle Technologies
Office. Research supported by ORNL's Shared Research Equipment (ShaRE)
User Program, which is sponsored by the Office of Basic Energy Sciences,
the U.S. Department of Energy. The authors would also like to thank Ryan
Sharpe for his help in obtaining SIMS data at the University of
Manitoba.
NR 35
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U1 4
U2 18
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2014
VL 161
IS 9
BP C395
EP C404
DI 10.1149/2.0821409jes
PG 10
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AM7BL
UT WOS:000340019600050
ER
PT J
AU Janarthanan, R
Pilli, SK
Horan, JL
Gamarra, DA
Hibbs, MR
Herring, AM
AF Janarthanan, Rajeswari
Pilli, Satyananda Kishore
Horan, James L.
Gamarra, Daniel A.
Hibbs, Michael R.
Herring, Andrew M.
TI A Direct Methanol Alkaline Fuel Cell Based on Poly(phenylene) Anion
Exchange Membranes
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID ETHYLENE-GLYCOL; PERFORMANCE; ALCOHOL; TEMPERATURE; ELECTRODES;
OXIDATION; GLYCEROL; CATHODE; ETHANOL; ANODES
AB The Investigation of the performance of poly(phenylene) based anion exchange membranes (AEMs) in a direct methanol fuel cell is reported. The fuel cell performances were tested with different anode gas diffusion layers as a function of concentrations of fuel and electrolyte using two commercially available platinum catalysts supported on carbon. Normalized current density values demonstrated good performance for a poly(phenylene) AEM, with a cation consisting of six methylene spacers attached to a trimethyl ammonium group, with a maximum current density of 11.8 mA cm(-2) mg(-1) in a KOH free fuel. The platinum catalyst (46%) from Tanaka showed a better performance (10.4 mA cm(-2) mg(-1)) compared to the platinum catalyst from E-TEK (5.1 mA cm(-2) mg(-1)) in 1M methanol fuel feed under identical conditions. We observed that the MEA with a Zoltek gas diffusion layer on the anode showed the best performance (226 mA cm(-2) and 53.8 mW cm(-2)) in the presence of KOH, suggesting that a hydrophilic gas diffusion layer plays a significant role in improving the fuel cell performance. A durability test for a MEA in 1M methanol and 1M KOH for 67 h showed an overall degradation rate of 400 mu V h(-1). (C) The Author(s) 2014. Published by ECS. All rights reserved.
C1 [Janarthanan, Rajeswari; Pilli, Satyananda Kishore; Horan, James L.; Gamarra, Daniel A.; Herring, Andrew M.] Colorado Sch Mines, Dept Chem & Biol Engn, Golden, CO 80301 USA.
[Hibbs, Michael R.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Janarthanan, R (reprint author), Colorado Sch Mines, Dept Chem & Biol Engn, Golden, CO 80301 USA.
EM aherring@mines.edu
OI Herring, Andrew/0000-0001-7318-5999
FU Laboratory Directed Research and Development (LDRD) program at Sandia
National Laboratories; U.S. Department of Energy's National Nuclear
Security Administration [DE-AC04-94AL85000]
FX This work was supported by the Laboratory Directed Research and
Development (LDRD) program at Sandia National Laboratories. Sandia
National Laboratory is a multi-program laboratory operated by Sandia
Corporation, a wholly owned subsidiary of Lockheed Martin Company, for
the U.S. Department of Energy's National Nuclear Security Administration
under contract DE-AC04-94AL85000.
NR 43
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U1 2
U2 34
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 2014
VL 161
IS 9
BP F944
EP F950
DI 10.1149/2.1041409jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AM7BL
UT WOS:000340019600087
ER
PT J
AU Kadakia, KS
Jampani, P
Velikokhatnyi, OI
Daita, MK
Chung, SJ
Poston, JA
Manivannan, A
Kumta, PN
AF Kadakia, Karan Sandeep
Jampani, Prashanth
Velikokhatnyi, Oleg I.
Daita, Moni Kanchan
Chung, Sung Jae
Poston, James A.
Manivannan, Ayyakkannu
Kumta, Prashant N.
TI Nanostructured (Ir,Sn)O-2:F - Oxygen Evolution Reaction Anode
Electro-Catalyst Powders for PEM Based Water Electrolysis
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID ELECTROCHEMICAL SURFACE CHARACTERIZATION; DOPED SNO2 NANOPARTICLES;
MIXED-OXIDE ELECTRODES; POLYMER ELECTROLYTE; HYDROGEN-PRODUCTION;
SULFURIC-ACID; SERVICE LIFE; THIN-FILMS; FUEL-CELLS; ELECTROCATALYSTS
AB Nanostructured powder catalysts comprising solid solutions of F doped SnO2 and IrO2 of different compositions were synthesized by a simple two step approach. High surface area SnO2:F was prepared initially using CTAB as a surfactant. (Ir,Sn)O-2:F was then synthesized by forming a solid state solution with IrCl4 and SnO2:F followed by heat-treatment in air at 400 degrees C. The catalyst was then coated onto a porous Ti foil and has been studied as a promising anode electro-catalyst for oxygen evolution reaction (OER) in PEM based water electrolysis. The optimal composition of (Ir0.3Sn0.7)O-2:10 wt% F displayed electrochemical activity comparable to the commercially available pure IrO2 demonstrating similar to 70 mol% reduction in noble metal content. The electrochemical stability tests also showed that (Ir,Sn)O-2:F solid solution exhibits much better durability compared to commercial IrO2, the standard (OER) catalyst. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Kadakia, Karan Sandeep; Jampani, Prashanth; Chung, Sung Jae; Kumta, Prashant N.] Univ Pittsburgh, Swanson Sch Engn, Pittsburgh, PA 15261 USA.
[Velikokhatnyi, Oleg I.; Daita, Moni Kanchan; Kumta, Prashant N.] Univ Pittsburgh, Swanson Sch Engn, Dept Bioengn, Pittsburgh, PA 15261 USA.
[Velikokhatnyi, Oleg I.; Daita, Moni Kanchan; Kumta, Prashant N.] Univ Pittsburgh, Ctr Complex Engn Multifunct Mat, Pittsburgh, PA 15261 USA.
[Poston, James A.; Manivannan, Ayyakkannu] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA.
[Kumta, Prashant N.] Univ Pittsburgh, Sch Dent Med, Dept Oral Biol, Pittsburgh, PA 15217 USA.
RP Kadakia, KS (reprint author), Univ Pittsburgh, Swanson Sch Engn, Pittsburgh, PA 15261 USA.
EM pkumta@pitt.edu
RI Jampani Hanumantha, Prashanth/A-9840-2013
OI Jampani Hanumantha, Prashanth/0000-0001-7159-1993
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Materials Sciences and Engineering [DE-SC0001531]; Edward R. Weidlein
Chair Professorship funds
FX Research supported by the U.S. Department of Energy, Office of Basic
Energy Sciences, Division of Materials Sciences and Engineering under
Award DE-SC0001531. PNK acknowledges the Edward R. Weidlein Chair
Professorship funds and the Center for Complex Engineered
Multifunctional Materials (CCEMM) for procuring the electrochemical
equipment and facilities used in this research work.
NR 62
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U1 6
U2 36
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 2014
VL 161
IS 9
BP F868
EP F875
DI 10.1149/2.0381409jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AM7BL
UT WOS:000340019600076
ER
PT J
AU Slieridan, LB
Hensley, DK
Lavrik, NV
Smith, SC
Schwartz, V
Liang, CD
Wu, ZL
Meyer, HM
Rondinone, AJ
AF Slieridan, Leah B.
Hensley, Dale K.
Lavrik, Nickolay V.
Smith, Sean C.
Schwartz, Viviane
Liang, Chengdu
Wu, Zili
Meyer, Harry M., III
Rondinone, Adam J.
TI Growth and Electrochemical Characterization of Carbon Nanospike Thin
Film Electrodes
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID CHEMICAL-VAPOR-DEPOSITION; GRAPHENE-MODIFIED ELECTRODE; FEW-LAYER
GRAPHENE; RAMAN-SPECTROSCOPY; TRANSFER KINETICS; OXYGEN;
SUPERCAPACITORS; PHOTORESIST; PERFORMANCE; FABRICATION
AB We report the growth of a nanospiked, carbon thin film electrode by an inexpensive, non-catalytic plasma enhanced CVD process on Si substrates. The electron transfer kinetics for various redox probes of these carbon nanospikes (CNS) were determined and compared with glassy carbon and CNS exposed to oxygen plasma or a high temperature ammonia soak. The results indicate that CNS can be used as a practical alternative to GC for various electroanalysis applications. These electrodes also exhibited activity and stability toward the oxygen reduction reaction, suggesting there potential use as electrocatalyst supports. Finally, the ability to deposit conformal thin films of CNS on a 3-D architecture for use as an electrode was demonstrated. (C) The Author(s) 2014. 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 [Slieridan, Leah B.; Hensley, Dale K.; Lavrik, Nickolay V.; Smith, Sean C.; Schwartz, Viviane; Liang, Chengdu; Wu, Zili; Rondinone, Adam J.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Meyer, Harry M., III] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
RP Slieridan, LB (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
EM rondinoneaj@ornl.gov
RI Lavrik, Nickolay/B-5268-2011; Rondinone, Adam/F-6489-2013; Hensley,
Dale/A-6282-2016; Smith, Sean/H-5003-2015
OI Lavrik, Nickolay/0000-0002-9543-5634; Rondinone,
Adam/0000-0003-0020-4612; Hensley, Dale/0000-0001-8763-7765; Smith,
Sean/0000-0002-5679-8205
FU Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy
FX This research was conducted at the Center for Nanophase Materials
Sciences, which is sponsored at Oak Ridge National Laboratory by the
Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy. The research was supported in part by an
appointment to the ORNL Postdoctoral Research Associates Program
administered jointly by Oak Ridge Institute for Science and Education
(ORISE) and ORNL.
NR 56
TC 5
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U1 5
U2 21
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 2014
VL 161
IS 9
BP H558
EP H563
DI 10.1149/2.0891409jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AM7BL
UT WOS:000340019600113
ER
PT J
AU Vinuesa, R
Noorani, A
Lozano-Duran, A
El Khoury, GK
Schlatter, P
Fischer, PF
Nagib, HM
AF Vinuesa, Ricardo
Noorani, Azad
Lozano-Duran, Adrian
El Khoury, George K.
Schlatter, Philipp
Fischer, Paul F.
Nagib, Hassan M.
TI Aspect ratio effects in turbulent duct flows studied through direct
numerical simulation
SO JOURNAL OF TURBULENCE
LA English
DT Article
DE wall turbulence; turbulent duct flow; direct numerical simulation;
secondary motions; three-dimensional flows; secondary vortices/motions
ID SQUARE DUCT; LARGE-SCALE; REYNOLDS-NUMBERS; SECONDARY FLOW; PIPE-FLOW;
CHANNELS; DYNAMICS; STRAIGHT; MOTION; CORNER
AB Three-dimensional effects in turbulent duct flows, i.e., sidewall boundary layers and secondary motions, are studied by means of direct numerical simulation (DNS). The spectral element code Nek5000 is used to compute turbulent duct flows with aspect ratios 1-7 (at Re-b,Re- c = 2800, Re-tau,Re- c similar or equal to 180) and aspect ratio 1 (at Re-b,Re- c = 5600, Re-tau,Re- c similar or equal to 330), in streamwise-periodic boxes of length 25h. The total number of grid points ranges from 28 to 145 million, and the pressure gradient is adjusted iteratively in order to keep the same bulk Reynolds number in the centreplane with changing aspect ratio. Turbulence is initiated via a trip forcing active during the initial stages of the simulation, and the statistical convergence of the data is discussed both in terms of transient approach and averaging period. Spanwise variations in wall shear, mean-flow profiles, and turbulence statistics are analysed as a function of aspect ratio, and also compared with the spanwise-periodic channel (as idealisation of an infinite aspect ratio duct). The computations show good agreement with experimental measurements carried out in parallel at the Illinois Institute of Technology (IIT) in Chicago, and highlight the relevance of sidewall boundary layers and secondary vortices in the physics of the duct flow. The rich array of secondary vortices extending throughout the upper and lower walls of the duct, and their dependence on Reynolds number and aspect ratio, had not been reported in the literature before.
C1 [Vinuesa, Ricardo; Nagib, Hassan M.] IIT, MMAE Dept, Chicago, IL 60616 USA.
[Noorani, Azad; El Khoury, George K.; Schlatter, Philipp] KTH Mech, Linne FLOW Ctr, Stockholm, Sweden.
[Lozano-Duran, Adrian] Univ Politecn Madrid, Sch Aeronaut, Madrid, Spain.
[Fischer, Paul F.] Argonne Natl Lab, MCS, Argonne, IL 60439 USA.
RP Vinuesa, R (reprint author), IIT, MMAE Dept, Chicago, IL 60616 USA.
EM rvinuesa@hawk.iit.edu
NR 42
TC 15
Z9 15
U1 6
U2 23
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 1468-5248
J9 J TURBUL
JI J. Turbul.
PY 2014
VL 15
IS 10
BP 677
EP 706
DI 10.1080/14685248.2014.925623
PG 30
WC Mechanics; Physics, Fluids & Plasmas
SC Mechanics; Physics
GA AM8JT
UT WOS:000340121000003
ER
PT S
AU Scott, JR
Effenberger, AJ
Hatch, JJ
AF Scott, Jill R.
Effenberger, Andrew J., Jr.
Hatch, Jeremy J.
BE Musazzi, S
Perini, U
TI Influence of Atmospheric Pressure and Composition on LIBS
SO LASER-INDUCED BREAKDOWN SPECTROSCOPY: THEORY AND APPLICATIONS
SE Springer Series in Optical Sciences
LA English
DT Article; Book Chapter
ID INDUCED BREAKDOWN SPECTROSCOPY; LASER-INDUCED PLASMA; BULK
AQUEOUS-SOLUTIONS; OPTICAL-EMISSION SPECTROSCOPY; AMBIENT GAS-PRESSURES;
REDUCED-PRESSURE; OCEANIC PRESSURES; PLUME EXPANSION; IN-SITU; ISOTOPE
MEASUREMENTS
AB While laser-induced breakdown spectroscopy (LIBS) is an attractive technique because of its basic simplicity with little or no sample preparation and ability to be performed under standard Earth atmosphere, there has been increasing interest in performing LIBS under non-standard pressures and with surrounding atmospheric gases other than air. Altering the atmospheric pressure can dramatically change the observed LIBS spectra, such as greatly improving the resolution, signal intensity, and overall signal-to-noise ratio by judicious choice of pressure and gas composition. The ability to enhance LIBS spectra has enabled challenging applications related to detection of isotopes. Interest in non-standard atmospheric conditions is also driven by applications for space exploration and process monitoring as well as the opportunity to better understand the dynamics associated with the LIBS plasma.
C1 [Scott, Jill R.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Effenberger, Andrew J., Jr.] Univ Calif San Diego, Energy Res Ctr, La Jolla, CA 92093 USA.
[Hatch, Jeremy J.] Univ Pacific, Dept Chem, Forest Grove, OR 97116 USA.
RP Scott, JR (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA.
EM jill.scott@inl.gov; aeffenb@ucsd.edu; jjhatch2@pacificu.edu
NR 158
TC 0
Z9 0
U1 0
U2 1
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0342-4111
BN 978-3-642-45085-3; 978-3-642-45084-6
J9 SPRINGER SER OPT SCI
PY 2014
VL 182
BP 91
EP 116
DI 10.1007/978-3-642-45085-3_4
D2 10.1007/978-3-642-45085-3
PG 26
WC Optics; Spectroscopy
SC Optics; Spectroscopy
GA BA7WP
UT WOS:000337815500005
ER
PT S
AU Martin, MZ
Labbe, N
Wagner, RJ
AF Martin, Madhavi Z.
Labbe, Nicole
Wagner, Rebekah J.
BE Musazzi, S
Perini, U
TI Applications of High Resolution Laser: Induced Breakdown Spectroscopy
for Environmental and Biological Samples
SO LASER-INDUCED BREAKDOWN SPECTROSCOPY: THEORY AND APPLICATIONS
SE Springer Series in Optical Sciences
LA English
DT Article; Book Chapter
ID HIGH-SPATIAL-RESOLUTION; MULTIVARIATE-ANALYSIS; CLIMATE-CHANGE;
ELEMENTAL ANALYSIS; SOIL CARBON; PLASMA SPECTROSCOPY; AGRICULTURAL
SOILS; METAL ACCUMULATION; PLANT MATERIALS; WOOD
AB This chapter details the application of LIBS in a number of environmental areas of research such as carbon sequestration and climate change. LIBS has also been shown to be useful in other high resolution environmental applications for example, elemental mapping and detection of metals in plant materials. LIBS has also been used in phytoremediation applications. Other biological research involves a detailed understanding of wood chemistry response to precipitation variations and also to forest fires. A cross-section of Mountain pine (pinceae Pinus pungen Lamb.) was scanned using a translational stage to determine the differences in the chemical features both before and after a fire event. Consequently, by monitoring the elemental composition pattern of a tree and by looking for abrupt changes, one can reconstruct the disturbance history of a tree and a forest. Lastly we have shown that multivariate analysis of the LIBS data is necessary to standardize the analysis and correlate to other standard laboratory techniques. LIBS along with multivariate statistical analysis makes it a very powerful technology that can be transferred from laboratory to field applications with ease.
C1 [Martin, Madhavi Z.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
[Labbe, Nicole] Univ Tennessee, Ctr Renewable Carbon, Dept Forestry Wildlife & Fisheries, Knoxville, TN 37996 USA.
[Wagner, Rebekah J.] Penn State Univ, Sch Forest Resources, University Pk, PA 16802 USA.
RP Martin, MZ (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
EM martinm1@ornl.gov; nlabbe@utk.edu; rjw253@psu.edu
OI Martin, Madhavi/0000-0002-6677-2180
NR 71
TC 0
Z9 0
U1 1
U2 2
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0342-4111
BN 978-3-642-45085-3; 978-3-642-45084-6
J9 SPRINGER SER OPT SCI
PY 2014
VL 182
BP 439
EP 456
DI 10.1007/978-3-642-45085-3_16
D2 10.1007/978-3-642-45085-3
PG 18
WC Optics; Spectroscopy
SC Optics; Spectroscopy
GA BA7WP
UT WOS:000337815500017
ER
PT S
AU Pelleg, J
AF Pelleg, Joshua
BA Pelleg, J
BF Pelleg, J
TI Mechanical Testing of Ceramics
SO MECHANICAL PROPERTIES OF CERAMICS
SE Solid Mechanics and its Applications
LA English
DT Article; Book Chapter
ID TEMPERATURE; HARDNESS; TENSILE; DUCTILE; MICROHARDNESS; DEPENDENCE;
CRYSTALS; VELOCITY; SYSTEM
AB This chapter considers the most common mechanical testing methods which are usually expected to be performed by students entering the first time into a lab. Tensile test-related parameters are evaluated. Very popular tests of ceramics are the various hardness tests (for example Vickers hardness test), which is not only a cost saving test, but also requires shorter times, since no specific specimen preparation, except of a smooth (often polished) surface is required. On small size specimens, Knoop hardness test is the general approach to obtain hardness data. Another accepted method of evaluating the mechanical properties of a ceramic is by a bending (flexural) test. The tests can be performed by three or four point bending tests. Compression tests are more popular than tension tests, since they tend to close pores, cracks and other flaws resulting in higher test results than by those obtained by tension, which tends to open rather than close cracks and microcracks. Toughness is an important criterion in ceramic properties (mechanical) evaluation. Because of the brittle nature of ceramics, special instrumented Charpy Impact Test machines were developed, primarily to evaluate the dynamic toughness of such materials. Creep and Fatigue tests are not included in this chapter and they will be evaluated in separate chapters. Because of the large scatter in the experimental results, Weibull statistical distribution is applied to obtain a mean value of the experimental results.
C1 [Pelleg, Joshua] Ben Gurion Univ Negev, Dept Mat Engn, IL-84105 Beer Sheva, Israel.
[Pelleg, Joshua] Univ Kansas, Dept Met & Mat, Lawrence, KS 66045 USA.
[Pelleg, Joshua] Urdan Netallurg Works LTD, Netanya, Israel.
[Pelleg, Joshua] Int Harvester, Mfg Res, Chicago, IL USA.
[Pelleg, Joshua] Natl Res Council Canada, Natl Aeronaut Estab, Ottawa, ON, Canada.
[Pelleg, Joshua] Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel.
[Pelleg, Joshua] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Pelleg, Joshua] Atom Energy Canada Ltd, Chalk River, ON K0J 1J0, Canada.
[Pelleg, Joshua] Bell Labs, Murray Hill, NJ 07974 USA.
[Pelleg, Joshua] GTE Labs Inc, Waltham, MA 02254 USA.
RP Pelleg, J (reprint author), CSIR, Natl Accelerator Ctr, Van de Graaf Grp Faure, Pretoria, South Africa.
NR 54
TC 0
Z9 0
U1 0
U2 2
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 0925-0042
BN 978-3-319-04492-7; 978-3-319-04491-0
J9 SOLID MECH APPL
PY 2014
VL 213
BP 1
EP 112
DI 10.1007/978-3-319-04492-7_1
D2 10.1007/978-3-319-04492-7
PG 112
WC Mechanics
SC Mechanics
GA BB0BW
UT WOS:000340090700002
ER
PT S
AU Pelleg, J
AF Pelleg, Joshua
BA Pelleg, J
BF Pelleg, J
TI Mechanical Properties of Ceramics Preface
SO MECHANICAL PROPERTIES OF CERAMICS
SE Solid Mechanics and its Applications
LA English
DT Editorial Material; Book Chapter
C1 [Pelleg, Joshua] Ben Gurion Univ Negev, Dept Mat Engn, IL-84105 Beer Sheva, Israel.
[Pelleg, Joshua] Univ Kansas, Dept Met & Mat, Lawrence, KS 66045 USA.
[Pelleg, Joshua] Urdan Netallurg Works LTD, Netanya, Israel.
[Pelleg, Joshua] Int Harvester, Mfg Res, Chicago, IL USA.
[Pelleg, Joshua] Natl Res Council Canada, Natl Aeronaut Estab, Ottawa, ON, Canada.
[Pelleg, Joshua] Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel.
[Pelleg, Joshua] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Pelleg, Joshua] Atom Energy Canada Ltd, Chalk River, ON K0J 1J0, Canada.
[Pelleg, Joshua] Bell Labs, Murray Hill, NJ 07974 USA.
[Pelleg, Joshua] GTE Labs Inc, Waltham, MA 02254 USA.
RP Pelleg, J (reprint author), CSIR, Natl Accelerator Ctr, Van de Graaf Grp Faure, Pretoria, South Africa.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 0925-0042
BN 978-3-319-04492-7; 978-3-319-04491-0
J9 SOLID MECH APPL
PY 2014
VL 213
BP IX
EP X
D2 10.1007/978-3-319-04492-7
PG 2
WC Mechanics
SC Mechanics
GA BB0BW
UT WOS:000340090700001
ER
PT S
AU Pelleg, J
AF Pelleg, Joshua
BA Pelleg, J
BF Pelleg, J
TI Ductile Ceramics
SO MECHANICAL PROPERTIES OF CERAMICS
SE Solid Mechanics and its Applications
LA English
DT Article; Book Chapter
ID FRACTURE-TOUGHNESS; ELEVATED-TEMPERATURES; SUPERPLASTIC BEHAVIOR;
MECHANICAL-PROPERTIES; MAGNESIUM OXIDE; SINGLE-CRYSTALS;
SILICON-CARBIDE; STRENGTH; MICROSTRUCTURE; DEFORMATION
AB Not all ceramics are brittle at room temperature. There are some ceramics which are ductile at ambient temperatures. Such ceramics, for example are single crystals MgO, SrTiO3, etc. They undergo plastic deformation and by dislocation motion slip lines are observed on the deformed specimens. In pure MgO at room temperature, dislocations are very mobile at comparatively low stresses. Changing the microstructure, possibly by alloying, the mobility of dislocations may be reduced and an increase in strength may be achieved. As usually observed, material undergoing plastic deformation tend to strain harden, a feature observed also in ductile ceramics. Of the several factors influencing the strength properties of ductile ceramics, grain size is outstanding. Fine grained ceramics are desirable. Originally brittle ceramics show elongation at high temperatures which is a usual observation. There is a transition temperature from brittle to ductile behavior which depends on the ceramics. One of the common methods to determine the brittle to transition temperature is by impact testing, and for this purpose various sophisticated machines have been developed. An extraordinary phenomenon related to ductility is superplasticity, where very high values of strains can be achieved before fracture. Superplastic ceramics are oxide (zirconia) or non-oxide ceramics. Well-known superplastic ceramics are SiC and FeC. The common feature of superplastic materials is the requirement of very fine grains, namely, in the nanosize range.
C1 [Pelleg, Joshua] Ben Gurion Univ Negev, Dept Mat Engn, IL-84105 Beer Sheva, Israel.
[Pelleg, Joshua] Univ Kansas, Dept Met & Mat, Lawrence, KS 66045 USA.
[Pelleg, Joshua] Urdan Netallurg Works LTD, Netanya, Israel.
[Pelleg, Joshua] Int Harvester, Mfg Res, Chicago, IL USA.
[Pelleg, Joshua] Natl Res Council Canada, Natl Aeronaut Estab, Ottawa, ON, Canada.
[Pelleg, Joshua] Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel.
[Pelleg, Joshua] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Pelleg, Joshua] Atom Energy Canada Ltd, Chalk River, ON K0J 1J0, Canada.
[Pelleg, Joshua] Bell Labs, Murray Hill, NJ 07974 USA.
[Pelleg, Joshua] GTE Labs Inc, Waltham, MA 02254 USA.
RP Pelleg, J (reprint author), CSIR, Natl Accelerator Ctr, Van de Graaf Grp Faure, Pretoria, South Africa.
NR 51
TC 0
Z9 0
U1 3
U2 7
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 0925-0042
BN 978-3-319-04492-7; 978-3-319-04491-0
J9 SOLID MECH APPL
PY 2014
VL 213
BP 113
EP 172
DI 10.1007/978-3-319-04492-7_2
D2 10.1007/978-3-319-04492-7
PG 60
WC Mechanics
SC Mechanics
GA BB0BW
UT WOS:000340090700003
ER
PT S
AU Pelleg, J
AF Pelleg, Joshua
BA Pelleg, J
BF Pelleg, J
TI Imperfections (Defects) in Ceramics
SO MECHANICAL PROPERTIES OF CERAMICS
SE Solid Mechanics and its Applications
LA English
DT Article; Book Chapter
ID TILT GRAIN-BOUNDARIES; MECHANICAL-PROPERTIES; SINGLE-CRYSTALS;
PLASTIC-DEFORMATION; SILICON-CARBIDE; DISLOCATION; BICRYSTALS;
MICROSCOPY; ENERGIES; ALUMINA
AB The periodic nature of crystalline materials can be interrupted by imperfections. The relevant imperfection determining the mechanical properties of ceramics are point defects, or dislocations, or both. The major point defects considered in the chapter are vacancies and interstitials, which are responsible for some observed phenomena via diffusional exchange with atoms in their vicinity. One such process relates to climb which is an essential process in creep phenomena. Edge dislocations are involved in the climb process which occurs by leaving the glide plane, either in the positive, or the negative direction. Point defect-atom exchange by diffusion is the basic mechanism. Although one can talk about point defect hardening, the important defects that determine the mechanical properties of materials are line defects, commonly known as dislocations (edge or screw character). Their presence in crystals is essential, because of the orders of difference between the theoretical and actual strength of materials. The presence of dislocations makes deformation easier by the application of smaller stress than would be required in their absence. Conservative motion of dislocations occurs by slip, whereas non-conservative motion is associated with climb. The strengthening of material is a consequence of retarding the motion of dislocations, either by their intersection, or by particles of a second phase or by grain boundaries. Closely associated with dislocations are partial dislocations which usually produce stacking faults when they form. Basically stacking faults are surface defects. The association of partial dislocations and stacking faults define the extended dislocation, which makes cross slip more difficult, thus strengthening the material against deformation. Various properties of dislocations are one of the subjects of this chapter.
C1 [Pelleg, Joshua] Ben Gurion Univ Negev, Dept Mat Engn, IL-84105 Beer Sheva, Israel.
[Pelleg, Joshua] Univ Kansas, Dept Met & Mat, Lawrence, KS 66045 USA.
[Pelleg, Joshua] Urdan Netallurg Works LTD, Netanya, Israel.
[Pelleg, Joshua] Int Harvester, Mfg Res, Chicago, IL USA.
[Pelleg, Joshua] Natl Res Council Canada, Natl Aeronaut Estab, Ottawa, ON, Canada.
[Pelleg, Joshua] Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel.
[Pelleg, Joshua] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Pelleg, Joshua] Atom Energy Canada Ltd, Chalk River, ON K0J 1J0, Canada.
[Pelleg, Joshua] Bell Labs, Murray Hill, NJ 07974 USA.
[Pelleg, Joshua] GTE Labs Inc, Waltham, MA 02254 USA.
RP Pelleg, J (reprint author), CSIR, Natl Accelerator Ctr, Van de Graaf Grp Faure, Pretoria, South Africa.
NR 54
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 0925-0042
BN 978-3-319-04492-7; 978-3-319-04491-0
J9 SOLID MECH APPL
PY 2014
VL 213
BP 173
EP 279
DI 10.1007/978-3-319-04492-7_3
D2 10.1007/978-3-319-04492-7
PG 107
WC Mechanics
SC Mechanics
GA BB0BW
UT WOS:000340090700004
ER
PT S
AU Pelleg, J
AF Pelleg, Joshua
BA Pelleg, J
BF Pelleg, J
TI Deformation in Ceramics
SO MECHANICAL PROPERTIES OF CERAMICS
SE Solid Mechanics and its Applications
LA English
DT Article; Book Chapter
ID TEMPLATED GRAIN-GROWTH; MOSI2 SINGLE-CRYSTALS; PLASTIC-DEFORMATION;
MECHANICAL-PROPERTIES; POLYCRYSTALLINE MGO; TEMPERATURE; STRAIN; STRESS;
SIZE; ORIENTATION
AB Deformation can be elastic or plastic. Understanding elastic deformation is very important in ceramics to eliminate instantaneous brittle fracture at some applied stress levels. The fracture stress is usually the same or very close to the elastic limit. Stresses have to be exercised with understanding of the limits of the specific ceramics and the level that it can endure before fracture. No dimensional changes in test pieces occur in elastic deformation. Plastic deformation of ductile ceramics at room temperature, and of low temperature brittle ceramics at elevated temperatures, produce slip marks due to the advance of dislocations. All the characteristic phenomena of plastic deformation are observed either at ambient temperature (of room temperature ductile materials) or at the elevated temperature (of brittle ceramics at low temperature) such as yielding, existence of resolved and critical shear stress and slip. Among the yield phenomena, serrated stress-strain curves and Luders bands can be noted as existing features. Twinning deformation, -mechanical or annealing twins-, are also observed to operate under proper conditions. Among the many factors influencing the mechanical properties, special consideration should be given to the effect of grain size. Preferred orientation in polycrystalline ceramics are seldom observed in its natural state but it may be induced during processing or fabrication. It might be of interest sometimes to get anisotropy for specific purposes of interest to enhance some directional property.
C1 [Pelleg, Joshua] Ben Gurion Univ Negev, Dept Mat Engn, IL-84105 Beer Sheva, Israel.
[Pelleg, Joshua] Univ Kansas, Dept Met & Mat, Lawrence, KS 66045 USA.
[Pelleg, Joshua] Urdan Netallurg Works LTD, Netanya, Israel.
[Pelleg, Joshua] Int Harvester, Mfg Res, Chicago, IL USA.
[Pelleg, Joshua] Natl Res Council Canada, Natl Aeronaut Estab, Ottawa, ON, Canada.
[Pelleg, Joshua] Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel.
[Pelleg, Joshua] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Pelleg, Joshua] Atom Energy Canada Ltd, Chalk River, ON K0J 1J0, Canada.
[Pelleg, Joshua] Bell Labs, Murray Hill, NJ 07974 USA.
[Pelleg, Joshua] GTE Labs Inc, Waltham, MA 02254 USA.
RP Pelleg, J (reprint author), CSIR, Natl Accelerator Ctr, Van de Graaf Grp Faure, Pretoria, South Africa.
NR 50
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 0925-0042
BN 978-3-319-04492-7; 978-3-319-04491-0
J9 SOLID MECH APPL
PY 2014
VL 213
BP 281
EP 350
DI 10.1007/978-3-319-04492-7_4
D2 10.1007/978-3-319-04492-7
PG 70
WC Mechanics
SC Mechanics
GA BB0BW
UT WOS:000340090700005
ER
PT S
AU Pelleg, J
AF Pelleg, Joshua
BA Pelleg, J
BF Pelleg, J
TI The Strength and Strengthening of Ceramics
SO MECHANICAL PROPERTIES OF CERAMICS
SE Solid Mechanics and its Applications
LA English
DT Article; Book Chapter
ID MECHANICAL-PROPERTIES; PLASTIC-DEFORMATION; MAGNESIUM-OXIDE;
SILICON-NITRIDE; PHASE-RELATIONS; GRAIN-SIZE; ZIRCONIA; ALUMINA;
TRANSFORMATION; CRYSTALS
AB There are several mechanisms by which materials may be strengthened as listed: (i) Strain (or work) hardening in ductile ceramics, (ii) Solid-solution strengthening by pinning dislocations either by interstitial or substitutional atoms, (iii) Second-phase hardening, (iv) Transformation hardening, (v) Strengthening by grain boundaries. Strain hardening is a feature of ductile ceramics, but at high temperatures where brittle materials show plasticity, strain hardening does not necessarily occur. In brittle materials that show plasticity at elevated temperature, strain hardening depends on composition and conditions of the test. It is possible that, due to the recovery process, strain hardening will not be observed. Super-plastic materials are characterized by high ductility and no strain hardening occurs. In particular in superplastic materials such as MgO, strain hardening is absent while in beta-Si3N4 under compression it is not observed. However, it has often been observed that little or no hardening at all occurs. Either interstitial or substitutional atoms can pin dislocations and thus strengthen the material. Second phase particles not in solution can hinder dislocations in their motion with a consequent increase in strength in the ceramics. Ceramics such as those based on zirconia are likely to undergo phase transformation, in particular the yttria stabilized zirconia, which is associated with strengthening of the material. Clearly, grain boundaries are obstacles to dislocation motion and thus harden the ceramic.
C1 [Pelleg, Joshua] Ben Gurion Univ Negev, Dept Mat Engn, IL-84105 Beer Sheva, Israel.
[Pelleg, Joshua] Univ Kansas, Dept Met & Mat, Lawrence, KS 66045 USA.
[Pelleg, Joshua] Urdan Netallurg Works LTD, Netanya, Israel.
[Pelleg, Joshua] Int Harvester, Mfg Res, Chicago, IL USA.
[Pelleg, Joshua] Natl Res Council Canada, Natl Aeronaut Estab, Ottawa, ON, Canada.
[Pelleg, Joshua] Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel.
[Pelleg, Joshua] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Pelleg, Joshua] Atom Energy Canada Ltd, Chalk River, ON K0J 1J0, Canada.
[Pelleg, Joshua] Bell Labs, Murray Hill, NJ 07974 USA.
[Pelleg, Joshua] GTE Labs Inc, Waltham, MA 02254 USA.
RP Pelleg, J (reprint author), CSIR, Natl Accelerator Ctr, Van de Graaf Grp Faure, Pretoria, South Africa.
NR 34
TC 1
Z9 1
U1 1
U2 2
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 0925-0042
BN 978-3-319-04492-7; 978-3-319-04491-0
J9 SOLID MECH APPL
PY 2014
VL 213
BP 351
EP 415
DI 10.1007/978-3-319-04492-7_5
D2 10.1007/978-3-319-04492-7
PG 65
WC Mechanics
SC Mechanics
GA BB0BW
UT WOS:000340090700006
ER
PT S
AU Pelleg, J
AF Pelleg, Joshua
BA Pelleg, J
BF Pelleg, J
TI Time-Dependent Deformation: Creep
SO MECHANICAL PROPERTIES OF CERAMICS
SE Solid Mechanics and its Applications
LA English
DT Article; Book Chapter
ID HIGH-TEMPERATURE CREEP; STEADY-STATE CREEP; HOT-PRESSED ALUMINA; MGO
SINGLE-CRYSTALS; TENSILE CREEP; CERAMIC COMPOSITES; STRONTIUM-TITANATE;
COMPRESSIVE CREEP; DISLOCATION CLIMB; MATRIX COMPOSITES
AB Creep is time-dependent deformation under constant stress. It may occur at relatively moderate temperatures. Most ceramics are intended for use at high temperatures, where they are ductile and creep deformation might occur. For ceramics with low-temperature ductility, creep may occur at similar to 0.5 T-m or even at lower temperatures. Creep generally is a function of the stress applied, the time of load duration and the temperature. Many ceramics are characterized by a high melting point even above 2000 degrees C(MgO, Al2O3, SiC, etc.) which makes them natural candidates for high temperature applications without the risk of creep failure during their lifetimes. Single and polycrystals creep, but to eliminate grain boundary sliding single crystals are preferred in certain important applications, despite the cost factor involved. Although small grain size enhances most of the mechanical properties, for creep resistance large grained materials are preferred. Mechanisms of creep that can act individually or simultaneously (depending on conditions) are Nabarro-Herring Creep, Dislocation Creep and Climb, Climb-Controlled Creep, Thermally-Activated Glide via Cross-Slip and Coble Creep, involving Grain-Boundary Diffusion. Creep may terminate in rupture which has to be avoided by choosing the proper ceramics and the safe temperature use for the desired life time. The presence offlaws (cracks) in ceramics intended for high-temperature applications can be controlled by the manufacturing process, which should be reduced to a minimum. It is essential for design purposes to estimate the life time in service of a ceramics to avoid failure, which is evaluated by some parametric method. The most popular methods to predict life time are the Larson-Miller and Monkman-Grant methods.
C1 [Pelleg, Joshua] Ben Gurion Univ Negev, Dept Mat Engn, IL-84105 Beer Sheva, Israel.
[Pelleg, Joshua] Univ Kansas, Dept Met & Mat, Lawrence, KS 66045 USA.
[Pelleg, Joshua] Urdan Netallurg Works LTD, Netanya, Israel.
[Pelleg, Joshua] Int Harvester, Mfg Res, Chicago, IL USA.
[Pelleg, Joshua] Natl Res Council Canada, Natl Aeronaut Estab, Ottawa, ON, Canada.
[Pelleg, Joshua] Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel.
[Pelleg, Joshua] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Pelleg, Joshua] Atom Energy Canada Ltd, Chalk River, ON K0J 1J0, Canada.
[Pelleg, Joshua] Bell Labs, Murray Hill, NJ 07974 USA.
[Pelleg, Joshua] GTE Labs Inc, Waltham, MA 02254 USA.
RP Pelleg, J (reprint author), CSIR, Natl Accelerator Ctr, Van de Graaf Grp Faure, Pretoria, South Africa.
NR 100
TC 0
Z9 0
U1 0
U2 4
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 0925-0042
BN 978-3-319-04492-7; 978-3-319-04491-0
J9 SOLID MECH APPL
PY 2014
VL 213
BP 417
EP 530
DI 10.1007/978-3-319-04492-7_6
D2 10.1007/978-3-319-04492-7
PG 114
WC Mechanics
SC Mechanics
GA BB0BW
UT WOS:000340090700007
ER
PT S
AU Pelleg, J
AF Pelleg, Joshua
BA Pelleg, J
BF Pelleg, J
TI Cyclic Stress: Fatigue
SO MECHANICAL PROPERTIES OF CERAMICS
SE Solid Mechanics and its Applications
LA English
DT Article; Book Chapter
ID ENVIRONMENTALLY ASSISTED CRACKING; YTTRIA-STABILIZED ZIRCONIA; THERMAL
BARRIER COATINGS; HYDROGEN EMBRITTLEMENT; TEMPER EMBRITTLEMENT; DUCTILE
FRACTURE; ROOM-TEMPERATURE; MILD-STEEL; BEHAVIOR; CERAMICS
AB Components in engineering applications operating under cyclic loads, commonly known as fatigue, may become unstable and cause catastrophic failure to occur unexpectedly because of structural instability. It is generally thought that over 80 % of all service failures are associated with fatigue. Therefore, operation of machines or their components under cyclic loads are of prime concern. To overcome the difficulty in predicting fatigue failure-because of a large spread of statistical results-it is essential to use many test specimens to reach a meaningful average value below which the probability for fatigue fracture is quite low. Fatigue-resistance evaluation is done by plotting applied stress against the number of cycles, usually referred to as the S-N (curve) relation. In some cases a horizontal line is observed in the plot known as the "knee'' representing the endurance limit. At this level of stress or below it, ceramics have the ability to endure a large number of stress-cycles without failure. A favored location of failure initiation is the surface; therefore good surface finish (often by polishing) is recommended which significantly improves fatigue resistance. Introducing compressive stress by any of the following methods, namely, laser treatments, sand blasting or shot peening improve greatly the fatigue resistance. Regardless of the origin of stress when cycling is applied, fatigue damage may result. Thus stress cycling associated with temperature changes is of great concern because it can induce fatigue damage known as thermal fatigue with premature failure in components operating at elevated temperatures. Design to overcome fatigue failure and to increase resistance to cyclic deformation is essential. Environmental effects, among them corrosion, are important in design considerations. Corrosive environments may accelerate the growth of fatigue cracks, which initiate at the surface and, therefore, reduce overall fatigue performance.
C1 [Pelleg, Joshua] Ben Gurion Univ Negev, Dept Mat Engn, IL-84105 Beer Sheva, Israel.
[Pelleg, Joshua] Univ Kansas, Dept Met & Mat, Lawrence, KS 66045 USA.
[Pelleg, Joshua] Urdan Netallurg Works LTD, Netanya, Israel.
[Pelleg, Joshua] Int Harvester, Mfg Res, Chicago, IL USA.
[Pelleg, Joshua] Natl Res Council Canada, Natl Aeronaut Estab, Ottawa, ON, Canada.
[Pelleg, Joshua] Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel.
[Pelleg, Joshua] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Pelleg, Joshua] Atom Energy Canada Ltd, Chalk River, ON K0J 1J0, Canada.
[Pelleg, Joshua] Bell Labs, Murray Hill, NJ 07974 USA.
[Pelleg, Joshua] GTE Labs Inc, Waltham, MA 02254 USA.
RP Pelleg, J (reprint author), CSIR, Natl Accelerator Ctr, Van de Graaf Grp Faure, Pretoria, South Africa.
NR 91
TC 0
Z9 0
U1 0
U2 2
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 0925-0042
BN 978-3-319-04492-7; 978-3-319-04491-0
J9 SOLID MECH APPL
PY 2014
VL 213
BP 531
EP 616
DI 10.1007/978-3-319-04492-7_7
D2 10.1007/978-3-319-04492-7
PG 86
WC Mechanics
SC Mechanics
GA BB0BW
UT WOS:000340090700008
ER
PT S
AU Pelleg, J
AF Pelleg, Joshua
BA Pelleg, J
BF Pelleg, J
TI Fracture
SO MECHANICAL PROPERTIES OF CERAMICS
SE Solid Mechanics and its Applications
LA English
DT Article; Book Chapter
ID FATIGUE-CRACK-PROPAGATION; PLASTIC-DEFORMATION; BRITTLE SOLIDS;
CERAMICS; STRENGTH; ZIRCONIA; BEHAVIOR; DUCTILE; COMPRESSION;
TEMPERATURE
AB In ceramics it is essential to consider all kinds of fractures that a material might experience during its service life time as a consequence of deformation. Fracture propensity is critical in ceramics which does not show elongation (plasticity) because failure can set in at deformations which basically are elastic (brittle ceramics). It is important to understand the theories of fracture, and relate them to the theoretical strength of materials. Among the important theories one can mention Griffith's theory on fracture, Orowan's fracture theory, and the dislocation theory of brittle fracture including the Stroh model of fracture. One of the most important parameters regarding fracture is toughness. Fracture toughness is the property that describes the ability of a material containing a crack to resist fracture and is one of the most important properties of any material for design applications. Related to fracture toughness is the term R-curve, which refers to fracture toughness that increases as a crack grows. Prediction of the effect of existing flaws in ceramics on fracture strength is the R-curve. Fracture toughness is an indicator for failure in ceramics and the R-curve expresses ceramic crack resistance. Another way to characterize a ceramic is by the energy absorption concept which is related to its fracture toughness. The J-integral as a fracture criterion is used to express the energy absorbed during crack extension. Fracture may occur in ceramics under static load, time dependent and cyclic deformation. Toughness can be improved by changing the course of crack, by crack tip shielding, crack bridging and crack healing. In ceramics undergoing transformation, transformation-toughening can improve the toughness.
C1 [Pelleg, Joshua] Ben Gurion Univ Negev, Dept Mat Engn, IL-84105 Beer Sheva, Israel.
[Pelleg, Joshua] Univ Kansas, Dept Met & Mat, Lawrence, KS 66045 USA.
[Pelleg, Joshua] Urdan Netallurg Works LTD, Netanya, Israel.
[Pelleg, Joshua] Int Harvester, Mfg Res, Chicago, IL USA.
[Pelleg, Joshua] Natl Res Council Canada, Natl Aeronaut Estab, Ottawa, ON, Canada.
[Pelleg, Joshua] Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel.
[Pelleg, Joshua] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Pelleg, Joshua] Atom Energy Canada Ltd, Chalk River, ON K0J 1J0, Canada.
[Pelleg, Joshua] Bell Labs, Murray Hill, NJ 07974 USA.
[Pelleg, Joshua] GTE Labs Inc, Waltham, MA 02254 USA.
RP Pelleg, J (reprint author), CSIR, Natl Accelerator Ctr, Van de Graaf Grp Faure, Pretoria, South Africa.
NR 56
TC 0
Z9 0
U1 0
U2 1
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 0925-0042
BN 978-3-319-04492-7; 978-3-319-04491-0
J9 SOLID MECH APPL
PY 2014
VL 213
BP 617
EP 704
DI 10.1007/978-3-319-04492-7_8
D2 10.1007/978-3-319-04492-7
PG 88
WC Mechanics
SC Mechanics
GA BB0BW
UT WOS:000340090700009
ER
PT S
AU Pelleg, J
AF Pelleg, Joshua
BA Pelleg, J
BF Pelleg, J
TI Mechanical Properties of Nanoscale Ceramics
SO MECHANICAL PROPERTIES OF CERAMICS
SE Solid Mechanics and its Applications
LA English
DT Article; Book Chapter
ID BORON-NITRIDE; GRAIN-GROWTH; MICROSTRUCTURE; STRENGTH; ALUMINA;
COMPOSITES; NANOCOMPOSITE; DEFORMATION; ZIRCONIA; FATIGUE
AB The mechanism of deformation in nanosize ceramics occur either by dislocation motion or by grain boundary sliding depending on the size of the grains. In nanoceramics of grain size above similar to 100 nm the main deformation mechanism is by dislocation motion. At ultra-fine nano grain sizes below similar to 100 nm in the range < 50 nm, the deformation mechanism is by grain boundary sliding. Dislocations cannot be accommodated conveniently in such nanosize materials and are prevented from motion and interactions. At levels in the hundreds of nanosized grains, a probable partial-dislocation mechanism may occur concurrently with other deformation mechanisms such as grain boundary sliding. For grain boundary sliding atomic mobility is essential, which results in a metal-like plasticity in nanoscale ceramics. One is interested in the behavior of nanoceramics under applied loads; therefore the various responses effecting static mechanical properties (tension-compression, hardness, etc.) time-dependent deformation (creep) and cyclic (fatigue) deformation are relevant. Making ceramics superplastic requires producing ultra-fine grains in the lower nanosize level, preferentially below 50 nm or even less. Various sophisticated techniques have been developed over the past decade or so, such that certain nanoceramics can now be produced with some measure of superplasticity. Superplastic materials may be thinned down, usually in a uniform manner, before breaking, without neck formation. The actual deformation mechanism is still under debate and may be material-dependent as well. Despite the various views on the exact mechanism responsible for the observed nano-behavior, it is clear from the experiments that nanoceramics may exhibit increased strength (hardness, for example), improved toughness, improved ductility and high resistance to fatigue. All these improved properties serve as safeguards against unexpected or premature fracture in service.
C1 [Pelleg, Joshua] Ben Gurion Univ Negev, Dept Mat Engn, IL-84105 Beer Sheva, Israel.
[Pelleg, Joshua] Univ Kansas, Dept Met & Mat, Lawrence, KS 66045 USA.
[Pelleg, Joshua] Urdan Netallurg Works LTD, Netanya, Israel.
[Pelleg, Joshua] Int Harvester, Mfg Res, Chicago, IL USA.
[Pelleg, Joshua] Natl Res Council Canada, Natl Aeronaut Estab, Ottawa, ON, Canada.
[Pelleg, Joshua] Nucl Res Ctr Negev, IL-84190 Beer Sheva, Israel.
[Pelleg, Joshua] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Pelleg, Joshua] Atom Energy Canada Ltd, Chalk River, ON K0J 1J0, Canada.
[Pelleg, Joshua] Bell Labs, Murray Hill, NJ 07974 USA.
[Pelleg, Joshua] GTE Labs Inc, Waltham, MA 02254 USA.
RP Pelleg, J (reprint author), CSIR, Natl Accelerator Ctr, Van de Graaf Grp Faure, Pretoria, South Africa.
NR 40
TC 0
Z9 0
U1 1
U2 3
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 0925-0042
BN 978-3-319-04492-7; 978-3-319-04491-0
J9 SOLID MECH APPL
PY 2014
VL 213
BP 705
EP 759
DI 10.1007/978-3-319-04492-7_9
D2 10.1007/978-3-319-04492-7
PG 55
WC Mechanics
SC Mechanics
GA BB0BW
UT WOS:000340090700010
ER
PT J
AU Skalski, JR
Eppard, MB
Ploskey, GR
Weiland, MA
Carlson, TJ
Townsend, RL
AF Skalski, John R.
Eppard, M. Brad
Ploskey, Gene R.
Weiland, Mark A.
Carlson, Thomas J.
Townsend, Richard L.
TI Assessment of Subyearling Chinook Salmon Survival through the Federal
Hydropower Projects in the Main-Stem Columbia River
SO NORTH AMERICAN JOURNAL OF FISHERIES MANAGEMENT
LA English
DT Article
ID ACOUSTIC TELEMETRY SYSTEM; WATER-RESOURCES; CLIMATE-CHANGE; JUVENILE;
TRANSMITTERS; PERFORMANCE; TRACKING; BASIN
AB High survival through hydropower projects is an essential element in the recovery of Pacific salmon Oncorhynchus spp. populations in the Columbia River. High dam passage survival is also a regulatory requirement under the 2008 Biological Opinion (BiOp; established under the Endangered Species Act) on Federal Columbia River Power System operation. The BiOp requires dam passage survival to be at least 0.96 and at least 0.93 for spring and summer out-migrating juvenile salmonids, respectively, and to be estimated with an SE of 0.015 or lower. An innovative virtual/paired-release design was used to estimate dam passage survival, which was defined as survival from the upstream face of a dam to the tailrace mixing zone. A coordinated four-dam study was conducted during the 2012 summer out-migration using 14,026 subyearling Chinook Salmon O. tshawytscha out-migrants with surgically implanted acoustic micro-transmitter tags. The release-recapture design consisted of 9 different release locations and 14 different detection arrays. Each of the four estimates of dam passage survival exceeded BiOp requirements, with values ranging from 0.9414 to 0.9747 (SE = 0.0031-0.0114). The virtual/paired-release design illustrated here has potential applicability wherever dam passage survival of migrant juvenile fish stocks must be estimated.
C1 [Skalski, John R.; Townsend, Richard L.] Univ Washington, Columbia Basin Res, Sch Aquat & Fishery Sci, Seattle, WA 98101 USA.
[Eppard, M. Brad] US Army Corps Engineers, Portland, OR 97208 USA.
[Ploskey, Gene R.; Weiland, Mark A.] Pacific NW Natl Lab, North Bonneville, WA 98639 USA.
[Carlson, Thomas J.] Pacific NW Natl Lab, Portland, OR 97204 USA.
RP Skalski, JR (reprint author), Univ Washington, Columbia Basin Res, Sch Aquat & Fishery Sci, 1325 Fourth Ave,Suite 1820, Seattle, WA 98101 USA.
EM skalski@uw.edu
OI Skalski, John/0000-0002-7070-2505
FU U.S. Department of Energy [DE-AC05-76RL01830]
FX This study was prepared for the U.S. Army Corps of Engineers Portland
District under a Government Order with the U.S. Department of Energy
(Contract DE-AC05-76RL01830). We thank the staffs of the U.S. Army Corps
of Engineers Portland District and Walla Walla District and the project
personnel at McNary, John Day, The Dalles, and Bonneville dams for
helping to make these studies successful.
NR 22
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Z9 6
U1 3
U2 18
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 CHESTNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0275-5947
EI 1548-8675
J9 N AM J FISH MANAGE
JI North Am. J. Fish Manage.
PY 2014
VL 34
IS 4
BP 741
EP 752
DI 10.1080/02755947.2014.910577
PG 12
WC Fisheries
SC Fisheries
GA AM8HJ
UT WOS:000340113400005
ER
PT J
AU Wagner, KA
Woodley, CM
Seaburg, AG
Skalski, JR
Eppard, MB
AF Wagner, Katie A.
Woodley, Christa M.
Seaburg, Adam G.
Skalski, John R.
Eppard, M. Brad
TI Physiological Stress Responses to Prolonged Exposure to MS-222 and
Surgical Implantation in Juvenile Chinook Salmon
SO NORTH AMERICAN JOURNAL OF FISHERIES MANAGEMENT
LA English
DT Article
ID RAINBOW-TROUT; TRICAINE METHANESULFONATE; ONCORHYNCHUS-TSHAWYTSCHA;
ACOUSTIC TRANSMITTERS; RADIO TRANSMITTERS; ATLANTIC SALMON; TAG
RETENTION; CLOVE OIL; SURVIVAL; CORTISOL
AB This study simulated large-scale monitoring program operations to evaluate the responses of age-1 Chinook Salmon Oncorhynchus tshawytscha to tricaine methanesulfonate (MS-222; 80 mg/L) exposure and intracoelomic acoustic microtransmitter implantation. The MS-222 exposure effects and appropriate exposure times for juvenile Chinook Salmon undergoing intracoelomic implantation were determined using blood analytes (Na+, K+, Ca2+), blood pH, plasma cortisol, and survival immediately following anesthetic exposure (3, 6, 9, and 12 min on day 0) and over a recovery period (days 1, 7, and 14). In addition, effects were examined in surgically implanted and nonimplanted fish (but exposed to MS-222 for 3 min) over a 14-d recovery period. Regardless of anesthetic exposure time, there were no mortalities during exposure on day 0 or over the recovery period. On day 0, MS-222 exposure treatments of 9 and 12 min resulted in significantly higherNa(+) and Ca2+ and lower K+, indicating a reduced ability to maintain osmotic balance; however, MS-222 effectively dampened the cortisol release following surgical implantation and anesthetic exposure. Cortisol concentration was significantly higher in surgically implanted fish than in those not surgically implanted over the recovery period. Given these results, we recommend MS-222 exposure (80 mg/L) times of 6 min or less for compliance programs and studies involving age-1 Chinook Salmon. In addition, we recommend for other monitoring programs, regardless of species, that maximum MS-222 exposure times are implemented to minimize stress and surgical effect and that exposure times are specific to a species' life stage to prevent overexposure and long-term effects. Furthermore, the knowledge of effects and the development of maximum exposure times are beneficial for hatchery programs, fish barging or transportation programs, and most studies in which fish behavior and physiological responses would need to be dampened using MS-222 without adverse side effects.
C1 [Wagner, Katie A.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Woodley, Christa M.] Pacific NW Natl Lab, Sequim, WA 98382 USA.
[Seaburg, Adam G.; Skalski, John R.] Univ Washington, Seattle, WA 98195 USA.
[Eppard, M. Brad] US Army Corps Engineers, Portland, OR 97208 USA.
RP Woodley, CM (reprint author), Pacific NW Natl Lab, 1529 West Sequim Bay Rd, Sequim, WA 98382 USA.
EM christa.woodley@pnnl.gov
OI Skalski, John/0000-0002-7070-2505
FU U.S. Army Corps of Engineers, Portland, Oregon
FX This project was funded by the U.S. Army Corps of Engineers, Portland,
Oregon. We thank the Columbia Basin Surgical Protocol Steering Committee
for its active discussion and hypotheses on the effects of MS-222 on
out-migrating juvenile salmonids held for various periods of time. We
also thank the following Pacific Northwest National Laboratory staff and
interns for their assistance with this research: C. Arimescu, J. Boyd,
S. Carpenter, J. Carter, K. Carter, A. Colotelo, J. Duncan, M. Gay, M.
Hennen, K. Knox, B. Miller, E. Oldenburg, I. Royer, A. Solcz, and M.
Weiland. We greatly appreciate the use of laboratory space at the
Pacific Northwest National Laboratory and equipment from A. Miracle and
A. Bunn. Trade name references do not imply endorsement by the U.S.
Government.
NR 49
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U2 12
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0275-5947
EI 1548-8675
J9 N AM J FISH MANAGE
JI North Am. J. Fish Manage.
PY 2014
VL 34
IS 4
BP 863
EP 873
DI 10.1080/02755947.2014.926303
PG 11
WC Fisheries
SC Fisheries
GA AM8HJ
UT WOS:000340113400016
ER
PT J
AU Wei, FY
Lv, B
Deng, LZ
Meen, JK
Xue, YY
Chu, CW
AF Wei, Fengyan
Lv, Bing
Deng, Liangzi
Meen, James K.
Xue, Yu-Yi
Chu, Ching-Wu
TI The unusually high T-c in rare-earth-doped single crystalline CaFe2As2
SO PHILOSOPHICAL MAGAZINE
LA English
DT Article
DE Fe-pnictides; interfacial superconductivity; magnetic anisotropy;
superparamagnetic clusters
ID SUPERCONDUCTORS; TEMPERATURE; TRANSITION
AB In rare-earth-doped single crystalline CaFe2As2, the mysterious small volume fraction which superconducts up to 49 K, much higher than the bulk T-c similar to 30 s K, has prompted a long search for a hidden variable that could enhance the T-c by more than 30% in iron-based superconductors of the same structure. Here we report a chemical, structural and magnetic study of CaFe2As2 systematically doped with La, Ce, Pr and Nd. Coincident with the high T-c phase, we find extreme magnetic anisotropy, accompanied by an unexpected doping-independent T-c and equally unexpected superparamagnetic clusters associated with As vacancies. These observations lead us to conjecture that the tantalizing T-c enhancement may be associated with naturally occurring chemical interfaces and may thus provide a new paradigm in the search for superconductors with higher T-c.
C1 [Wei, Fengyan; Lv, Bing; Deng, Liangzi; Xue, Yu-Yi; Chu, Ching-Wu] Univ Houston, Dept Phys, Houston, TX 77204 USA.
[Wei, Fengyan; Lv, Bing; Deng, Liangzi; Meen, James K.; Xue, Yu-Yi; Chu, Ching-Wu] Univ Houston, Texas Ctr Superconduct, Houston, TX 77204 USA.
[Meen, James K.] Univ Houston, Dept Chem, Houston, TX 77204 USA.
[Chu, Ching-Wu] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Chu, CW (reprint author), Univ Houston, Dept Phys, Houston, TX 77204 USA.
EM cwchu@uh.edu
OI Deng, Liangzi/0000-0002-5379-2772
FU US Air Force Office of Scientific Research [FA9550-09-1-0656]; US Air
Force Research Laboratory through Rice University [R15901]; T. L. L.
Temple Foundation; John J. and Rebecca Moores Endowment; State of Texas
through Texas Center for Superconductivity at the University of Houston
FX The work in Houston is supported in part by US Air Force Office of
Scientific Research [grant number FA9550-09-1-0656]; US Air Force
Research Laboratory [Subcontract R15901 (CONTACT)] through Rice
University; the T. L. L. Temple Foundation; the John J. and Rebecca
Moores Endowment and the State of Texas through the Texas Center for
Superconductivity at the University of Houston.
NR 30
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U1 1
U2 15
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 1478-6435
EI 1478-6443
J9 PHILOS MAG
JI Philos. Mag.
PY 2014
VL 94
IS 22
BP 2562
EP 2570
DI 10.1080/14786435.2014.913116
PG 9
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Physics, Applied; Physics, Condensed Matter
SC Materials Science; Metallurgy & Metallurgical Engineering; Physics
GA AM7MA
UT WOS:000340050200006
ER
PT J
AU Mizutani, U
Inukai, M
Sato, H
Zijlstra, ES
Lin, Q
AF Mizutani, U.
Inukai, M.
Sato, H.
Zijlstra, E. S.
Lin, Q.
TI e/a classification of Hume-Rothery Rhombic Triacontahedron-type
approximants based on all-electron density functional theory
calculations
SO PHILOSOPHICAL MAGAZINE
LA English
DT Article
DE Hume-Rothery electron concentration rule; FLAPW-Fourier method;
2/1-2/1-2/1 approximants; RT-type approximants; interference condition;
Hume-Rothery stabilization mechanism
ID STABILIZATION MECHANISM; INTERMETALLIC COMPOUNDS; QUASI-CRYSTALS; METAL
ELEMENTS; CU-RU; ZN; MG; CLUSTER; PHASE; SN
AB There are three key electronic parameters in elucidating the physics behind the Hume-Rothery electron concentration rule: the square of the Fermi diameter (2k(F))(2), the square of the critical reciprocal lattice vector vertical bar G vertical bar(c)(2) and the electron concentration parameter or the number of itinerant electrons per atom e/a. We have reliably determined these three parameters for 10 Rhombic Triacontahedron-type 2/1-2/1-2/1 (N = 680) and 1/1-1/1-1/1 (N = 160-162) approximants by making full use of the full-potential linearized augmented plane wave-Fourier band calculations based on all-electron density-functional theory. We revealed that the 2/1-2/1-2/1 approximants Al13Mg27Zn45 and Na27Au27Ga31 belong to two different sub-groups classified in terms of vertical bar G vertical bar(c)(2) equal to 126 and 109 and could explain why they take different e/a values of 2.13 and 1.76, respectively. Among eight 1/1-1/1-1/1 approximants Al3Mg4Zn3, Al9Mg8Ag3, Al21Li13Cu6, Ga21Li13Cu6, Na26Au24Ga30, Na26Au37Ge18, Na26Au37Sn18 and Na26Cd40Pb6, the first two, the second two and the last four compounds were classified into three sub-groups with vertical bar G vertical bar(c)(2) = 50, 46 and 42; and were claimed to obey the e/a = 2.30, 2.10-2.15 and 1.70-1.80 rules, respectively.
C1 [Mizutani, U.] Nagoya Ind Sci Res Inst, Chikusa Ku, Nagoya, Aichi 4640819, Japan.
[Inukai, M.] Nagoya Inst Technol, Dept Frontier Mat, Showa Ku, Nagoya, Aichi 4668555, Japan.
[Sato, H.] Aichi Univ Educ, Dept Phys, Kariya, Aichi 4488542, Japan.
[Zijlstra, E. S.] Univ Kassel, D-34132 Kassel, Germany.
[Lin, Q.] US DOE, Div Mat Sci & Engn, Ames Lab, Ames, IA 50011 USA.
RP Mizutani, U (reprint author), Nagoya Ind Sci Res Inst, Chikusa Ku, 1-13 Yotsuya Dori, Nagoya, Aichi 4640819, Japan.
EM uichiro@sky.sannet.ne.jp
FU Japan Society for the Promotion of Science [23560793]; Office of the
Basic Energy Sciences, Materials Sciences Division, US Department of
Energy (DOE); Iowa State University [DE-AC02-07CH11358]
FX One of the authors (UM) is grateful for the financial support of the
Grant-in-Aid for Scientific Research (Contract No. 23560793) from the
Japan Society for the Promotion of Science. Q. L. was supported by the
Office of the Basic Energy Sciences, Materials Sciences Division, US
Department of Energy (DOE). Ames Laboratory is operated for DOE by Iowa
State University under contract No. DE-AC02-07CH11358. We would like to
thank Prof. Tsunehiro Takeuchi, Toyota Technological Institute, Nagoya,
Japan for providing us atomic structure data for the 1/1-1/1-1/1
approximant Al9Mg8Ag3.
NR 20
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U1 2
U2 7
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 1478-6435
EI 1478-6443
J9 PHILOS MAG
JI Philos. Mag.
PY 2014
VL 94
IS 22
BP 2571
EP 2594
DI 10.1080/14786435.2014.913820
PG 24
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Physics, Applied; Physics, Condensed Matter
SC Materials Science; Metallurgy & Metallurgical Engineering; Physics
GA AM7MA
UT WOS:000340050200007
ER
PT S
AU Lechner, BAJ
AF Lechner, Barbara A. J.
BA Lechner, BAJ
BF Lechner, BAJ
TI Studying Complex Surface Dynamical Systems Using Helium-3 Spin-Echo
Spectroscopy Introduction
SO STUDYING COMPLEX SURFACE DYNAMICAL SYSTEMS USING HELIUM-3 SPIN-ECHO
SPECTROSCOPY
SE Springer Theses-Recognizing Outstanding PhD Research
LA English
DT Editorial Material; Book Chapter
ID HELIUM-ATOM SCATTERING; METAL-SURFACES; ADSORBATES; DIFFUSION
C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Lechner, BAJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
NR 12
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 2190-5053
BN 978-3-319-01180-6; 978-3-319-01179-0
J9 SPRINGER THESES-RECO
PY 2014
BP 1
EP 4
DI 10.1007/978-3-319-01180-6_1
D2 10.1007/978-3-319-01180-6
PG 4
WC Chemistry, Physical; Materials Science, Coatings & Films
SC Chemistry; Materials Science
GA BB0GA
UT WOS:000340157200001
ER
PT S
AU Lechner, BAJ
AF Lechner, Barbara A. J.
BA Lechner, BAJ
BF Lechner, BAJ
TI The Helium-3 Spin-Echo Experiment
SO STUDYING COMPLEX SURFACE DYNAMICAL SYSTEMS USING HELIUM-3 SPIN-ECHO
SPECTROSCOPY
SE Springer Theses-Recognizing Outstanding PhD Research
LA English
DT Article; Book Chapter
ID HELIUM-ATOM SCATTERING; NEUTRON-SCATTERING; DIFFUSION-MODEL;
METAL-SURFACES; ADSORBATES; DYNAMICS; LIQUID; MOTION; SPECTROSCOPY;
SYSTEM
C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Lechner, BAJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
NR 40
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 2190-5053
BN 978-3-319-01180-6; 978-3-319-01179-0
J9 SPRINGER THESES-RECO
PY 2014
BP 5
EP 32
DI 10.1007/978-3-319-01180-6_2
D2 10.1007/978-3-319-01180-6
PG 28
WC Chemistry, Physical; Materials Science, Coatings & Films
SC Chemistry; Materials Science
GA BB0GA
UT WOS:000340157200002
ER
PT S
AU Lechner, BAJ
AF Lechner, Barbara A. J.
BA Lechner, BAJ
BF Lechner, BAJ
TI A New Helium Atom Scattering Apparatus
SO STUDYING COMPLEX SURFACE DYNAMICAL SYSTEMS USING HELIUM-3 SPIN-ECHO
SPECTROSCOPY
SE Springer Theses-Recognizing Outstanding PhD Research
LA English
DT Article; Book Chapter
ID DIFFRACTION; SURFACE
C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Lechner, BAJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
NR 16
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 2190-5053
BN 978-3-319-01180-6; 978-3-319-01179-0
J9 SPRINGER THESES-RECO
PY 2014
BP 33
EP 49
DI 10.1007/978-3-319-01180-6_3
D2 10.1007/978-3-319-01180-6
PG 17
WC Chemistry, Physical; Materials Science, Coatings & Films
SC Chemistry; Materials Science
GA BB0GA
UT WOS:000340157200003
ER
PT S
AU Lechner, BAJ
AF Lechner, Barbara A. J.
BA Lechner, BAJ
BF Lechner, BAJ
TI An Improved High Intensity Supersonic Helium Beam Source
SO STUDYING COMPLEX SURFACE DYNAMICAL SYSTEMS USING HELIUM-3 SPIN-ECHO
SPECTROSCOPY
SE Springer Theses-Recognizing Outstanding PhD Research
LA English
DT Article; Book Chapter
ID MOLECULAR-BEAMS; DIFFUSION; SURFACES
C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Lechner, BAJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
NR 19
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 2190-5053
BN 978-3-319-01180-6; 978-3-319-01179-0
J9 SPRINGER THESES-RECO
PY 2014
BP 51
EP 69
DI 10.1007/978-3-319-01180-6_4
D2 10.1007/978-3-319-01180-6
PG 19
WC Chemistry, Physical; Materials Science, Coatings & Films
SC Chemistry; Materials Science
GA BB0GA
UT WOS:000340157200004
ER
PT S
AU Lechner, BAJ
AF Lechner, Barbara A. J.
BA Lechner, BAJ
BF Lechner, BAJ
TI The Dynamics of Cyclopentadienyl on Cu(111)
SO STUDYING COMPLEX SURFACE DYNAMICAL SYSTEMS USING HELIUM-3 SPIN-ECHO
SPECTROSCOPY
SE Springer Theses-Recognizing Outstanding PhD Research
LA English
DT Article; Book Chapter
ID SURFACE-PHONON-DISPERSION; HELIUM ATOM SCATTERING; ELECTRONIC-STRUCTURE;
ADSORBED CYCLOPENTADIENYL; CRYSTAL-STRUCTURE; PT(111); ADSORPTION;
CYCLOPENTENE; REACTIVITY; FERROCENE
C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Lechner, BAJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
NR 55
TC 0
Z9 0
U1 0
U2 1
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 2190-5053
BN 978-3-319-01180-6; 978-3-319-01179-0
J9 SPRINGER THESES-RECO
PY 2014
BP 71
EP 104
DI 10.1007/978-3-319-01180-6_5
D2 10.1007/978-3-319-01180-6
PG 34
WC Chemistry, Physical; Materials Science, Coatings & Films
SC Chemistry; Materials Science
GA BB0GA
UT WOS:000340157200005
ER
PT S
AU Lechner, BAJ
AF Lechner, Barbara A. J.
BA Lechner, BAJ
BF Lechner, BAJ
TI Quantum Influences in the Diffusive Motion of Pyrrole on Cu(111)
SO STUDYING COMPLEX SURFACE DYNAMICAL SYSTEMS USING HELIUM-3 SPIN-ECHO
SPECTROSCOPY
SE Springer Theses-Recognizing Outstanding PhD Research
LA English
DT Article; Book Chapter
ID HELIUM ATOM; SURFACE; ADSORPTION; SCATTERING; PD(111); FURAN;
CHEMISORPTION; HETEROCYCLES; MOLECULES; THIOPHENE
C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Lechner, BAJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
NR 40
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 2190-5053
BN 978-3-319-01180-6; 978-3-319-01179-0
J9 SPRINGER THESES-RECO
PY 2014
BP 105
EP 141
DI 10.1007/978-3-319-01180-6_6
D2 10.1007/978-3-319-01180-6
PG 37
WC Chemistry, Physical; Materials Science, Coatings & Films
SC Chemistry; Materials Science
GA BB0GA
UT WOS:000340157200006
ER
PT S
AU Lechner, BAJ
AF Lechner, Barbara A. J.
BA Lechner, BAJ
BF Lechner, BAJ
TI The Atomic-Scale Motion of Thiophene on Cu(111)
SO STUDYING COMPLEX SURFACE DYNAMICAL SYSTEMS USING HELIUM-3 SPIN-ECHO
SPECTROSCOPY
SE Springer Theses-Recognizing Outstanding PhD Research
LA English
DT Article; Book Chapter
ID ELECTRONIC-PROPERTIES; SCATTERING; SURFACE; ADSORPTION; LINESHAPES;
CU(100); LIQUID; SYSTEM
C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Lechner, BAJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
NR 35
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 2190-5053
BN 978-3-319-01180-6; 978-3-319-01179-0
J9 SPRINGER THESES-RECO
PY 2014
BP 143
EP 168
DI 10.1007/978-3-319-01180-6_7
D2 10.1007/978-3-319-01180-6
PG 26
WC Chemistry, Physical; Materials Science, Coatings & Films
SC Chemistry; Materials Science
GA BB0GA
UT WOS:000340157200007
ER
PT S
AU Lechner, BAJ
AF Lechner, Barbara A. J.
BA Lechner, BAJ
BF Lechner, BAJ
TI Studying Complex Surface Dynamical Systems Using Helium-3 Spin-Echo
Spectroscopy Conclusions
SO STUDYING COMPLEX SURFACE DYNAMICAL SYSTEMS USING HELIUM-3 SPIN-ECHO
SPECTROSCOPY
SE Springer Theses-Recognizing Outstanding PhD Research
LA English
DT Editorial Material; Book Chapter
ID CU(111); THIOPHENE
C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Lechner, BAJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
NR 9
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 2190-5053
BN 978-3-319-01180-6; 978-3-319-01179-0
J9 SPRINGER THESES-RECO
PY 2014
BP 169
EP 172
DI 10.1007/978-3-319-01180-6_8
D2 10.1007/978-3-319-01180-6
PG 4
WC Chemistry, Physical; Materials Science, Coatings & Films
SC Chemistry; Materials Science
GA BB0GA
UT WOS:000340157200008
ER
PT J
AU Sarovar, M
Eisele, DM
Whaley, KB
AF Sarovar, Mohan
Eisele, Doerthe M.
Whaley, K. Birgitta
BE Mohseni, M
Omar, Y
Engel, G
Plenio, MB
TI Design and applications of bio-inspired quantum materials
SO QUANTUM EFFECTS IN BIOLOGY
LA English
DT Article; Book Chapter
C1 [Sarovar, Mohan] Sandia Natl Labs, Livermore, CA 94550 USA.
[Eisele, Doerthe M.] MIT, Ctr Exciton, Elect Res Lab, Cambridge, MA 02139 USA.
[Whaley, K. Birgitta] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
RP Sarovar, M (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA.
NR 0
TC 0
Z9 0
U1 0
U2 6
PU CAMBRIDGE UNIV PRESS
PI CAMBRIDGE
PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND
BN 978-1-107-01080-2
PY 2014
BP 311
EP 334
D2 10.1017/CBO9780511863189
PG 24
WC Biophysics
SC Biophysics
GA BA9NS
UT WOS:000339622100016
ER
PT S
AU Abdurachmanov, D
Elmer, P
Eulisse, G
Muzaffar, S
AF Abdurachmanov, David
Elmer, Peter
Eulisse, Giulio
Muzaffar, Shahzad
GP IOP
TI Initial explorations of ARM processors for scientific computing
SO 15TH INTERNATIONAL WORKSHOP ON ADVANCED COMPUTING AND ANALYSIS
TECHNIQUES IN PHYSICS RESEARCH (ACAT2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 15th International Workshop on Advanced Computing and Analysis
Techniques in Physics Research (ACAT)
CY MAY 16-21, 2013
CL Chinese Acad Sci, Inst High Energy Phys, Beijing, PEOPLES R CHINA
SP Chinese Acad Sci, Natl Nat Sci Fdn China, Brookhaven Natl Lab, Peking Univ, Chinese Acad Sci, Theoret Phys Ctr Sci Facilities, Sugon
HO Chinese Acad Sci, Inst High Energy Phys
ID BOSON; LHC
AB Power efficiency is becoming an ever more important metric for both high performance and high throughput computing. Over the course of next decade it is expected that flops/watt will be a major driver for the evolution of computer architecture. Servers with large numbers of ARM processors, already ubiquitous in mobile computing, are a promising alternative to traditional x86-64 computing. We present the results of our initial investigations into the use of ARM processors for scientific computing applications. In particular we report the results from our work with a current generation ARMv7 development board to explore ARM-specific issues regarding the software development environment, operating system, performance benchmarks and issues for porting High Energy Physics software.
C1 [Abdurachmanov, David] Vilnius State Univ, Fac Math & Informat, Digital Sci & Comp Ctr, Vilnius, Lithuania.
[Elmer, Peter] Princeton Univ, Dept Phys, Princeton, NJ 08540 USA.
[Eulisse, Giulio; Muzaffar, Shahzad] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Abdurachmanov, D (reprint author), Vilnius State Univ, Fac Math & Informat, Digital Sci & Comp Ctr, Vilnius, Lithuania.
EM Peter.Elmer@cern.ch
FU National Science Foundation [1120138]; U. S. Department of Energy
FX This work was partially supported by the National Science Foundation,
under Cooperative Agreement PHY-1120138, and by the U. S. Department of
Energy.
NR 10
TC 3
Z9 3
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 2014
VL 523
AR UNSP 012009
DI 10.1088/1742-6596/523/1/012009
PG 6
WC Computer Science, Theory & Methods; Engineering, Electrical &
Electronic; Physics, Applied
SC Computer Science; Engineering; Physics
GA BA9NZ
UT WOS:000339627300009
ER
PT S
AU Kama, S
Seuster, R
Stewart, GA
Vitillo, RA
AF Kama, S.
Seuster, R.
Stewart, G. A.
Vitillo, R. A.
GP IOP
TI Optimizing ATLAS code with different profilers
SO 15TH INTERNATIONAL WORKSHOP ON ADVANCED COMPUTING AND ANALYSIS
TECHNIQUES IN PHYSICS RESEARCH (ACAT2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 15th International Workshop on Advanced Computing and Analysis
Techniques in Physics Research (ACAT)
CY MAY 16-21, 2013
CL Chinese Acad Sci, Inst High Energy Phys, Beijing, PEOPLES R CHINA
SP Chinese Acad Sci, Natl Nat Sci Fdn China, Brookhaven Natl Lab, Peking Univ, Chinese Acad Sci, Theoret Phys Ctr Sci Facilities, Sugon
HO Chinese Acad Sci, Inst High Energy Phys
AB After the current maintenance period, the LHC will provide higher energy collisions with increased luminosity. In order to keep up with these higher rates, ATLAS software needs to speed up substantially. However, ATLAS code is composed of approximately 6M lines, written by many different programmers with different backgrounds, which makes code optimisation a challenge. To help with this effort different profiling tools and techniques are being used. These include well known tools, such as the Valgrind suite and Intel Amplifier; less common tools like Pin, PAPI, and GOoDA; as well as techniques such as library interposing. In this paper we will mainly focus on Pin tools and GOoDA. Pin is a dynamic binary instrumentation tool which can obtain statistics such as call counts, instruction counts and interrogate functions' arguments. It has been used to obtain CLHEP Matrix profiles, operations and vector sizes for linear algebra calculations which has provided the insight necessary to achieve significant performance improvements. Complimenting this, GOoDA, an in-house performance tool built in collaboration with Google, which is based on hardware performance monitoring unit events, is used to identify hot-spots in the code for different types of hardware limitations, such as CPU resources, caches, or memory bandwidth. GOoDA has been used in improvement of the performance of new magnetic field code and identification of potential vectorization targets in several places, such as Runge-Kutta propagation code.
C1 [Kama, S.] Southern Methodist Univ, Dallas, TX 75275 USA.
[Seuster, R.] TRIUMF, Vancouver, BC V6T 2A3, Canada.
[Stewart, G. A.] Univ Glasgow, CERN & Sch Phys & Astron, Glasgow G12 8QQ, Lanark, Scotland.
[Vitillo, R. A.] Lawrence Berkeley Natl Lab, Berkeley, CA USA.
RP Kama, S (reprint author), Southern Methodist Univ, Dallas, TX 75275 USA.
EM sami.kama@cern.ch
NR 5
TC 1
Z9 1
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 523
AR UNSP 012036
DI 10.1088/1742-6596/523/1/012036
PG 7
WC Computer Science, Theory & Methods; Engineering, Electrical &
Electronic; Physics, Applied
SC Computer Science; Engineering; Physics
GA BA9NZ
UT WOS:000339627300036
ER
PT S
AU Makatun, D
Lauret, J
Sumbera, M
AF Makatun, Dzmitry
Lauret, Jerome
Sumbera, Michal
GP IOP
TI Study of cache performance in distributed environment for data
processing
SO 15TH INTERNATIONAL WORKSHOP ON ADVANCED COMPUTING AND ANALYSIS
TECHNIQUES IN PHYSICS RESEARCH (ACAT2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 15th International Workshop on Advanced Computing and Analysis
Techniques in Physics Research (ACAT)
CY MAY 16-21, 2013
CL Chinese Acad Sci, Inst High Energy Phys, Beijing, PEOPLES R CHINA
SP Chinese Acad Sci, Natl Nat Sci Fdn China, Brookhaven Natl Lab, Peking Univ, Chinese Acad Sci, Theoret Phys Ctr Sci Facilities, Sugon
HO Chinese Acad Sci, Inst High Energy Phys
AB Processing data in distributed environment has found its application in many fields of science (Nuclear and Particle Physics (NPP), astronomy, biology to name only those). Efficiently transferring data between sites is an essential part of such processing. The implementation of caching strategies in data transfer software and tools, such as the Reasoner for Intelligent File Transfer (RIFT) being developed in the STAR collaboration, can significantly decrease network load and waiting time by reusing the knowledge of data provenance as well as data placed in transfer cache to further expand on the availability of sources for files and data-sets. Though, a great variety of caching algorithms is known, a study is needed to evaluate which one can deliver the best performance in data access considering the realistic demand patterns. Records of access to the complete data-sets of NPP experiments were analyzed and used as input for computer simulations. Series of simulations were done in order to estimate the possible cache hits and cache hits per byte for known caching algorithms. The simulations were done for cache of different sizes within interval 0.001 - 90% of complete data-set and low-watermark within 0-90%. Records of data access were taken from several experiments and within different time intervals in order to validate the results. In this paper, we will discuss the different data caching strategies from canonical algorithms to hybrid cache strategies, present the results of our simulations for the diverse algorithms, debate and identify the choice for the best algorithm in the context of Physics Data analysis in NPP. While the results of those studies have been implemented in RIFT, they can also be used when setting up cache in any other computational work-flow (Cloud processing for example) or managing data storages with partial replicas of the entire data-set.
C1 [Makatun, Dzmitry] Czech Tech Univ, Fac Nucl Phys & Phys Engn, CR-16635 Prague, Czech Republic.
[Lauret, Jerome] STAR, Brookhaven Natl Lab, Upton, NY USA.
[Makatun, Dzmitry; Sumbera, Michal] Nucl Phys Inst, Acad Sci, Rez, Czech Republic.
RP Makatun, D (reprint author), Czech Tech Univ, Fac Nucl Phys & Phys Engn, CR-16635 Prague, Czech Republic.
EM makatun@rcf.rhic.bnl.gov
RI Sumbera, Michal/O-7497-2014; Makatun, Dzmitry/O-2487-2015
OI Sumbera, Michal/0000-0002-0639-7323;
NR 5
TC 1
Z9 1
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 2014
VL 523
AR 012016
DI 10.1088/1742-6596/523/1/012016
PG 8
WC Computer Science, Theory & Methods; Engineering, Electrical &
Electronic; Physics, Applied
SC Computer Science; Engineering; Physics
GA BA9NZ
UT WOS:000339627300016
ER
PT S
AU Sangaline, E
Lauret, J
AF Sangaline, E.
Lauret, J.
GP IOP
TI Experience, use, and performance measurement of the Hadoop File System
in a typical nuclear physics analysis workflow
SO 15TH INTERNATIONAL WORKSHOP ON ADVANCED COMPUTING AND ANALYSIS
TECHNIQUES IN PHYSICS RESEARCH (ACAT2013)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 15th International Workshop on Advanced Computing and Analysis
Techniques in Physics Research (ACAT)
CY MAY 16-21, 2013
CL Chinese Acad Sci, Inst High Energy Phys, Beijing, PEOPLES R CHINA
SP Chinese Acad Sci, Natl Nat Sci Fdn China, Brookhaven Natl Lab, Peking Univ, Chinese Acad Sci, Theoret Phys Ctr Sci Facilities, Sugon
HO Chinese Acad Sci, Inst High Energy Phys
AB The quantity of information produced in Nuclear and Particle Physics (NPP) experiments necessitates the transmission and storage of data across diverse collections of computing resources. Robust solutions such as XRootD have been used in NPP, but as the usage of cloud resources grows, the difficulties in the dynamic configuration of these systems become a concern. Hadoop File System (HDFS) exists as a possible cloud storage solution with a proven track record in dynamic environments. Though currently not extensively used in NPP, HDFS is an attractive solution offering both elastic storage and rapid deployment. We will present the performance of HDFS in both canonical I/O tests and for a typical data analysis pattern within the RHIC/STAR experimental framework. These tests explore the scaling with different levels of redundancy and numbers of clients. Additionally, the performance of FUSE and NFS interfaces to HDFS were evaluated as a way to allow existing software to function without modification. Unfortunately, the complicated data structures in NPP are non-trivial to integrate with Hadoop and so many of the benefits of the MapReduce paradigm could not be directly realized. Despite this, our results indicate that using HDFS as a distributed filesystem offers reasonable performance and scalability and that it excels in its ease of configuration and deployment in a cloud environment.
C1 [Sangaline, E.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA.
[Lauret, J.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
RP Sangaline, E (reprint author), Univ Calif Davis, Dept Phys, Davis, CA 95616 USA.
EM sangaline@nuclear.ucdavis.edu
FU DOE; NSF; University of California Davis; Brookhaven National Laboratory
FX We would like to acknowledge and thank the DOE and NSF for funding that
supported this work as well as the University of California Davis and
Brookhaven National Laboratory for resources that they made available.
NR 6
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 2014
VL 523
AR UNSP 012006
DI 10.1088/1742-6596/523/1/012006
PG 5
WC Computer Science, Theory & Methods; Engineering, Electrical &
Electronic; Physics, Applied
SC Computer Science; Engineering; Physics
GA BA9NZ
UT WOS:000339627300006
ER
PT J
AU Greenberg, JP
Penuelas, J
Guenther, A
Seco, R
Turnipseed, A
Jiang, X
Filella, I
Estiarte, M
Sardans, J
Ogaya, R
Llusia, J
Rapparini, F
AF Greenberg, J. P.
Penuelas, J.
Guenther, A.
Seco, R.
Turnipseed, A.
Jiang, X.
Filella, I.
Estiarte, M.
Sardans, J.
Ogaya, R.
Llusia, J.
Rapparini, F.
TI A tethered-balloon PTRMS sampling approach for surveying of
landscape-scale biogenic VOC fluxes
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID VOLATILE ORGANIC-COMPOUNDS; MODEL; EMISSIONS; GRADIENT; LAYER;
PARAMETERIZATIONS; FLUCTUATIONS; ATTENUATION; ENCLOSURE; ENSEMBLE
AB Landscape-scale fluxes of biogenic gases were surveyed by deploying a 100m Teflon tube attached to a tethered balloon as a sampling inlet for a fast-response proton-transfer-reaction mass spectrometer (PTRMS). Along with meteorological instruments deployed on the tethered balloon and a 3m tripod and outputs from a regional weather model, these observations were used to estimate landscape-scale biogenic volatile organic compound fluxes with two micrometeorological techniques: mixed layer variance and surface layer gradients. This highly mobile sampling system was deployed at four field sites near Barcelona to estimate landscape-scale biogenic volatile organic compound (BVOC) emission factors in a relatively short period (3 weeks).
The two micrometeorological techniques were compared with emissions predicted with a biogenic emission model using site-specific emission factors and land-cover characteristics for all four sites. The methods agreed within the uncertainty of the techniques in most cases, even though the locations had considerable heterogeneity in species distribution and complex terrain. Considering the wide range in reported BVOC emission factors for individual vegetation species (more than an order of magnitude), this temporally short and inexpensive flux estimation technique may be useful for constraining BVOC emission factors used as model inputs.
C1 [Greenberg, J. P.; Guenther, A.; Seco, R.; Turnipseed, A.; Jiang, X.] Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80307 USA.
[Guenther, A.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Guenther, A.] Washington State Univ, Pullman, WA 99164 USA.
[Penuelas, J.; Seco, R.; Filella, I.; Estiarte, M.; Sardans, J.; Ogaya, R.; Llusia, J.] CREAF, Barcelona 08193, Catalonia, Spain.
[Penuelas, J.; Seco, R.; Filella, I.; Estiarte, M.; Sardans, J.; Ogaya, R.; Llusia, J.] Global Ecol Unit CREAF CSIC UAB, CSIC, Barcelona 08193, Catalonia, Spain.
[Rapparini, F.] CNR, Inst Biometeorol, I-40129 Bologna, Italy.
RP Greenberg, JP (reprint author), Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80307 USA.
EM greenber@ucar.edu
RI Seco, Roger/F-7124-2011; Filella, Iolanda/A-2860-2015; Guenther,
Alex/B-1617-2008; Penuelas, Josep/D-9704-2011; Estiarte,
Marc/G-2001-2016;
OI Seco, Roger/0000-0002-2078-9956; Guenther, Alex/0000-0001-6283-8288;
Penuelas, Josep/0000-0002-7215-0150; Estiarte, Marc/0000-0003-1176-8480;
Sardans, Jordi/0000-0003-2478-0219
FU Spanish Government [CGL2010-17172/BOS, CSD2008-00040]; Catalan
Government [SGR 2009-458]; National Science Foundation
FX This research was supported by the Spanish Government grants
CGL2010-17172/BOS and Consolider-Ingenio Montes CSD2008-00040, and by
the Catalan Government project SGR 2009-458. The National Center for
Atmospheric Research is sponsored by the National Science Foundation.
NR 32
TC 3
Z9 3
U1 1
U2 17
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 2014
VL 7
IS 7
BP 2263
EP 2271
DI 10.5194/amt-7-2263-2014
PG 9
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AM5YN
UT WOS:000339937200024
ER
PT J
AU Tang, JY
Riley, WJ
AF Tang, J. Y.
Riley, W. J.
TI Technical Note: Simple formulations and solutions of the dual-phase
diffusive transport for biogeochemical modeling
SO BIOGEOSCIENCES
LA English
DT Article
ID METHANE EMISSIONS; CARBON-DIOXIDE; SOIL; FLUXES; SENSITIVITY;
ECOSYSTEMS; ATMOSPHERE
AB Representation of gaseous diffusion in variably saturated near-surface soils is becoming more common in land biogeochemical models, yet the formulations and numerical solution algorithms applied vary widely. We present three different but equivalent formulations of the dual-phase (gaseous and aqueous) tracer diffusion transport problem that is relevant to a wide class of volatile tracers in land biogeochemical models. Of these three formulations (i.e., the gas-primary, aqueous-primary, and bulk-tracer-based formulations), we contend that the gas-primary formulation is the most convenient for modeling tracer dynamics in biogeochemical models. We then provide finite volume approximation to the gas-primary equation and evaluate its accuracy against three analytical models: one for steady-state soil CO2 dynamics, one for steady-state soil CH4 dynamics, and one for transient tracer diffusion from a constant point source into two different sequentially aligned medias. All evaluations demonstrated good accuracy of the numerical approximation. We expect our result will standardize an efficient mechanistic numerical method for solving relatively simple, multiphase, one-dimensional diffusion problems in land models.
C1 [Tang, J. Y.; Riley, W. J.] Lawrence Berkeley Natl Lab LBL, Div Earth Sci, Dept Climate & Carbon Sci, Berkeley, CA 94720 USA.
RP Tang, JY (reprint author), Lawrence Berkeley Natl Lab LBL, Div Earth Sci, Dept Climate & Carbon Sci, Berkeley, CA 94720 USA.
EM jinyuntang@lbl.gov
RI Tang, Jinyun/M-4922-2013; Riley, William/D-3345-2015
OI Tang, Jinyun/0000-0002-4792-1259; Riley, William/0000-0002-4615-2304
FU Office of Science, and Office of Biological and Environmental Research
of the US Department of Energy [DE-AC02-05CH11231]; Next-Generation
Ecosystem Experiments (NGEE Arctic) project; Office of Biological and
Environmental Research in the DOE Office of Science [DE-AC02-05CH11231]
FX This research was supported by the Director, Office of Science, and
Office of Biological and Environmental Research of the US Department of
Energy under Contract no. DE-AC02-05CH11231 as part of their Regional
and Global Climate Modeling Program; and by the Next-Generation
Ecosystem Experiments (NGEE Arctic) project, supported by the Office of
Biological and Environmental Research in the DOE Office of Science under
Contract No. DE-AC02-05CH11231.
NR 20
TC 2
Z9 2
U1 0
U2 8
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
EI 1726-4189
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2014
VL 11
IS 14
BP 3721
EP 3728
DI 10.5194/bg-11-3721-2014
PG 8
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA AM5KA
UT WOS:000339895600001
ER
PT J
AU Hill, TM
Myrvold, CR
Spero, HJ
Guilderson, TP
AF Hill, T. M.
Myrvold, C. R.
Spero, H. J.
Guilderson, T. P.
TI Evidence for benthic-pelagic food web coupling and carbon export from
California margin bamboo coral archives
SO BIOGEOSCIENCES
LA English
DT Article
ID DEEP-SEA CORALS; EASTERN NORTH PACIFIC; STABLE-ISOTOPES; RADIOCARBON
MEASUREMENTS; INTERANNUAL VARIABILITY; PRIMNOA-RESEDAEFORMIS; BOMB
RADIOCARBON; PARTICLE FLUXES; ORGANIC-MATTER; CURRENT SYSTEM
AB Deep-sea bamboo corals (order Gorgonacea, family Isididae) are known to record changes in water mass chemistry over decades to centuries. These corals are composed of a two-part skeleton of calcite internodes segmented by gorgonin organic nodes. We examine the spatial variability of bamboo coral organic node C-13/C-12 and N-15/N-14 from 13 bamboo coral specimens sampled along the California margin (37-32 degrees N, 792-2136 m depth). Radiocarbon analyses of the organic nodes show the presence of the anthropogenic bomb spike, indicating the corals utilize a surface-derived food source (pre-bomb (DC)-C-14 values of similar to -100 parts per thousand post-bomb values up to 82 parts per thousand). Carbon and nitrogen isotope data from the organic nodes (delta C-13 =-15.9 parts per thousand to -19.2 parts per thousand; delta N-15 = 13.8 parts per thousand to 19.4 parts per thousand) suggest selective feeding on surface-derived organic matter or zooplankton. A strong relationship between coral delta N-15 and habitat depth indicates a potential archive of changing carbon export, with decreased delta N-15 values reflecting reduced microbial degradation (increased carbon flux) at shallower depths. Using four multi-centennial-length coral records, we interpret long-term delta N-15 stability in the California Current. Organic node delta C-13 values record differences in carbon isotope fractionation dictated by nearshore vs. offshore primary production. These findings imply strong coupling between primary production, pelagic food webs, and deep-sea benthic communities.
C1 [Hill, T. M.; Myrvold, C. R.; Spero, H. J.] Univ Calif Davis, Dept Earth & Planetary Sci, Davis, CA 95616 USA.
[Hill, T. M.] Univ Calif, Bodega Marine Lab, Bodega Bay, CA USA.
[Guilderson, T. P.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA USA.
[Guilderson, T. P.] Univ Calif Santa Cruz, Dept Ocean Sci, Santa Cruz, CA 95064 USA.
RP Hill, TM (reprint author), Univ Calif Davis, Dept Earth & Planetary Sci, Davis, CA 95616 USA.
EM tmhill@ucdavis.edu
FU NOAA [NA030AR4300104]; NSF [OCE 0647872]; U.S. Department of Energy by
Lawrence Livermore National Laboratory [W-7405-Eng-48,
DE-AC52-07NA27344]; LLNL IGPP; [NA05OAR4310021]
FX We thank the crew and scientific party of the R/V Western Flyer
(Seamounts 2004 and 2007 expeditions) and D. Clague for support of this
investigation. Seamount sampling and geochemical analyses were supported
by NOAA West Coast Polar Regions Research Program (NA030AR4300104 to T.
M. Hill and H. J. Spero) and NSF (OCE 0647872 to T. M. Hill). A portion
of this work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory (contract W-7405-Eng-48
and DE-AC52-07NA27344) including LLNL IGPP funding (H. J. Spero, T. M.
Hill, and T. P. Guilderson). Additional support was provided by
NA05OAR4310021 (T. P. Guilderson). We appreciate the technical support
of the UC Davis Stable Isotope Facility and LLNL CAMS. We appreciate the
suggestions of two anonymous reviewers for Biogeosciences Discussions.
This is a contribution of Bodega Marine Laboratory.
NR 51
TC 4
Z9 4
U1 4
U2 21
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
EI 1726-4189
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2014
VL 11
IS 14
BP 3845
EP 3854
DI 10.5194/bg-11-3845-2014
PG 10
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA AM5KA
UT WOS:000339895600008
ER
PT S
AU Ryan, MG
Vose, JM
Hanson, PJ
Iverson, LR
Miniat, CF
Luce, CH
Band, LE
Klein, SL
McKenzie, D
Wear, DN
AF Ryan, Michael G.
Vose, James M.
Hanson, Paul J.
Iverson, Louis R.
Miniat, Chelcy F.
Luce, Charles H.
Band, Lawrence E.
Klein, Steven L.
McKenzie, Don
Wear, David N.
BE Peterson, DL
Vose, JM
PatelWeynand, T
TI Forest Processes
SO CLIMATE CHANGE AND UNITED STATES FORESTS
SE Advances in Global Change Research
LA English
DT Article; Book Chapter
ID WESTERN UNITED-STATES; TEMPERATE DECIDUOUS FOREST; PROJECTED
CLIMATE-CHANGE; EASTERN NORTH-AMERICA; CO2 ENRICHMENT FACE; CHANGE-TYPE
DROUGHT; ELEVATED CO2; LONG-TERM; SOIL RESPIRATION; TREE MORTALITY
C1 [Ryan, Michael G.] Colorado State Univ, Nat Resource Ecol Lab, Ft Collins, CO 80523 USA.
[Vose, James M.] US Forest Serv, Southern Res Stn, Raleigh, NC 27613 USA.
[Hanson, Paul J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
[Iverson, Louis R.] US Forest Serv, No Res Stn, Delaware, OH USA.
[Miniat, Chelcy F.] US Forest Serv, Southern Res Stn, Otto, NC USA.
[Luce, Charles H.] US Forest Serv, Rocky Mt Res Stn, Boise, ID USA.
[Band, Lawrence E.] Univ N Carolina, Dept Geog, Chapel Hill, NC USA.
[Klein, Steven L.] US EPA, Natl Hlth & Environm Effects Res Lab, Western Ecol Div, Corvallis, OR USA.
[McKenzie, Don] US Forest Serv, Pacific NW Res Stn, Seattle, WA USA.
[Wear, David N.] US Forest Serv, Southern Res Stn, Raleigh, NC USA.
RP Vose, JM (reprint author), US Forest Serv, Southern Res Stn, Raleigh, NC 27613 USA.
EM mike.ryan@colostate.edu; jvose@fs.fed.us; hansonpj@ornl.gov;
liverson@fs.fed.us; crford@fs.fed.us; cluce@fs.fed.us;
lband@email.unc.edu; klein.steve@epa.gov; donaldmckenzie@fs.fed.us;
dwear@fs.fed.us
OI Miniat, Chelcy/0000-0002-3266-9783
NR 176
TC 2
Z9 2
U1 1
U2 4
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 1574-0919
BN 978-94-007-7515-2; 978-94-007-7514-5
J9 ADV GLOB CHANGE RES
JI Adv. Glob. Change Res.
PY 2014
VL 57
BP 25
EP 54
DI 10.1007/978-94-007-7515-2_3
D2 10.1007/978-94-007-7515-2
PG 30
WC Environmental Studies; Forestry
SC Environmental Sciences & Ecology; Forestry
GA BA9YP
UT WOS:000339971600005
ER
PT S
AU Lyon, KA
Miskovic, ZL
Diebold, AC
Idrobo, JC
AF Lyon, Keenan A.
Miskovic, Zoran L.
Diebold, Alain C.
Idrobo, Juan-Carlos
BE Singh, MR
TI Modeling Ellipsometry and Electron Energy Loss Spectroscopy of Graphene
SO ELECTRONIC, PHOTONIC, PLASMONIC, PHONONIC AND MAGNETIC PROPERTIES OF
NANOMATERIALS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Conference on Electronic, Photonic, Plasmonic, Phononic and Magnetic
Properties of Nanomaterials
CY AUG 12-16, 2013
CL London, CANADA
SP US AF Res Lab, US AF Off Sci Res, Western Univ, Dept Phys & Astron, Western Univ, Fac Sci, Western Univ, Western VP Res, City Univ New York Hunter Coll
DE graphene; plasmons; ellipsometry; energy loss
AB Recent studies of electronic excitations in graphene by Electron Energy Loss Spectroscopy (EELS) have revealed massive high-frequency peaks assigned to the pi and sigma + pi plasmons [1], which were semi-quantitatively modeled with a two-dimensional, two-fluid hydrodynamic (HD) model [2]. On the other hand, Spectroscopic Ellipsometry (SE) of graphene covers the region of nearly constant absorbance due to graphene's universal optical conductivity at infrared frequencies, which is not clearly resolved by EELS, and goes up to cover the pi-plasmon peak at ultraviolet frequencies [3]. To attempt to model both the SE and EELS, we amend the HD model by including a low-frequency contribution of graphene's inter-band transitions, while monitoring the fulfillment of the f-sum rule [4] up to frequencies that cover excitations of all valence electrons.
C1 [Lyon, Keenan A.; Miskovic, Zoran L.] Univ Waterloo, Dept Appl Math, 200 Univ Ave W, Waterloo, ON N2L 3G1, Canada.
[Diebold, Alain C.] SUNY Albany, Coll Nanoscale Sci & Engn, Albany, NY 12203 USA.
[Idrobo, Juan-Carlos] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
RP Lyon, KA (reprint author), Univ Waterloo, Dept Appl Math, 200 Univ Ave W, Waterloo, ON N2L 3G1, Canada.
RI Idrobo, Juan/H-4896-2015
OI Idrobo, Juan/0000-0001-7483-9034
FU Natural Sciences and Engineering Council of Canada; Oak Ridge National
Laboratory's Shared Research Equipment (ShaRE) User Program (JCI);
Office of Basic Energy Sciences; U.S. Department of Energy
FX Special thanks to Florence Nelson at the CNSE for providing ellipsometry
data, and advice. This work was supported by the Natural Sciences and
Engineering Council of Canada, and in part by Oak Ridge National
Laboratory's Shared Research Equipment (ShaRE) User Program (JCI), which
is sponsored by the Office of Basic Energy Sciences, U.S. Department of
Energy.
NR 8
TC 1
Z9 1
U1 0
U2 12
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1222-4
J9 AIP CONF PROC
PY 2014
VL 1590
BP 158
EP 162
DI 10.1063/1.4870212
PG 5
WC Nanoscience & Nanotechnology; Physics, Applied
SC Science & Technology - Other Topics; Physics
GA BA9HZ
UT WOS:000339426000025
ER
PT B
AU Ben-Naim, E
Krapivsky, PL
AF Ben-Naim, E.
Krapivsky, P. L.
BE Metzler, R
Oshanin, G
Redner, S
TI First Passage in Conical Geometry and Ordering of Brownian Particles
SO FIRST-PASSAGE PHENOMENA AND THEIR APPLICATIONS
LA English
DT Article; Book Chapter
ID EXIT TIMES; VICIOUS WALKERS; WEYL CHAMBER; MOTION; DIFFUSION; CONES;
DOMAIN; KINETICS; CAPTURE; WALLS
AB We survey recent results on first-passage processes in unbounded cones and their applications to ordering of particles undergoing Brownian motion in one dimension. We first discuss the survival probability S(t) that a diffusing particle, in arbitrary spatial dimension, remains inside a conical domain up to time t. In general, this quantity decays algebraically S similar to t(-beta) in the long-time limit. The exponent beta depends on the opening angle of the cone and the spatial dimension, and it is root of a transcendental equation involving the associated Legendre functions. The exponent becomes a function of a single scaling variable in the limit of large spatial dimension. We then describe two first-passage problems involving the order of N independent Brownian particles in one dimension where survival probabilities decay algebraically as well. To analyze these problems, we identify the trajectories of the N particles with the trajectory of one particle in N dimensions, confined to within a certain boundary, and we use a circular cone with matching solid angle as a replacement for the confining boundary. For N = 3, the confining boundary is a wedge and the approach is exact. In general, this "cone approximation" gives strict lower bounds as well as useful estimates for the first-passage exponents. Interestingly, the cone approximation becomes asymptotically exact when N -> infinity as it predicts the exact scaling function that governs the spectrum of first-passage exponents.
C1 [Ben-Naim, E.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Ben-Naim, E.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
[Krapivsky, P. L.] Boston Univ, Dept Phys, Boston, MA 02215 USA.
RP Ben-Naim, E (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RI Krapivsky, Pavel/A-4612-2014
NR 68
TC 0
Z9 0
U1 0
U2 0
PU WORLD SCIENTIFIC PUBL CO PTE LTD
PI SINGAPORE
PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE
BN 978-9-81-459029-7; 978-9-81-459028-0
PY 2014
BP 252
EP 276
D2 10.1142/9104
PG 25
WC Mathematics, Applied; Physics, Mathematical; Statistics & Probability
SC Mathematics; Physics
GA BA8NG
UT WOS:000338304200012
ER
PT J
CA Energy Information Adm
TI Low-Cost Natural Gas Comes to the Rescue for Manufacturers
SO MANUFACTURING ENGINEERING
LA English
DT Editorial Material
C1 US DOE, Washington, DC 20585 USA.
RP US DOE, Washington, DC 20585 USA.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SOC MANUFACTURING ENGINEERS
PI DEARBORN
PA ONE SME DRIVE, PO BOX 930, DEARBORN, MI 48121-0930 USA
SN 0361-0853
J9 MANUF ENG
JI Manuf. Eng.
PY 2014
SU 2
BP 25
EP 25
PG 1
WC Engineering, Manufacturing
SC Engineering
GA AM6NJ
UT WOS:000339981600005
ER
PT J
AU Smegal, J
AF Smegal, John
TI Training Tomorrow's Energy Engineers
SO MANUFACTURING ENGINEERING
LA English
DT Editorial Material
C1 US DOE, Adv Mfg Off, Washington, DC 20585 USA.
RP Smegal, J (reprint author), US DOE, Adv Mfg Off, Washington, DC 20585 USA.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SOC MANUFACTURING ENGINEERS
PI DEARBORN
PA ONE SME DRIVE, PO BOX 930, DEARBORN, MI 48121-0930 USA
SN 0361-0853
J9 MANUF ENG
JI Manuf. Eng.
PY 2014
SU 2
BP 85
EP 86
PG 2
WC Engineering, Manufacturing
SC Engineering
GA AM6NJ
UT WOS:000339981600024
ER
PT J
AU Coniglio, N
Cross, CE
AF Coniglio, Nicolas
Cross, Carl E.
TI Coherency and Grain Size Effects on Solidification Crack Growth in
Aluminum Welds
SO MATERIALS TESTING
LA English
DT Article
DE Aluminium welding; solidification cracking; critical strain rate;
coherency point; grain size
ID HOT-TEARING CRITERION; ALLOYS; SUSCEPTIBILITY; DEFORMATION; TEMPERATURE;
STRENGTH
AB A mass balance model has been evaluated that estimates the critical conditions for sustaining continuous crack growth in the mushy weld zone. With the aid of a strain partition model, the critical local strain rate (across the weld) has been related to the critical grain boundary deformation rate needed for crack growth. In the present work, these two models are applied to aluminum welds to investigate the theoretical effects of several metallurgical factors on solidification cracking susceptibility. Calculations quantify the improved cracking resistance associated with a smaller coherent temperature range, grain refinement, high solid fraction at coherency, and rapid development of tensile strength through solid-solid bonding.
C1 [Coniglio, Nicolas] Ecole Natl Super Arts & Metiers, MSMP Lab, Aix En Provence, France.
[Coniglio, Nicolas] Bundesanstalt Mat Forsch & Prufung, Berlin, Germany.
[Coniglio, Nicolas] Univ Adelaide, Adelaide, SA 5005, Australia.
[Coniglio, Nicolas] CNRC CTA Lab, Quebec City, PQ, Canada.
[Cross, Carl E.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Cross, Carl E.] Univ Montana, Montana Tech, Missoula, MT 59812 USA.
[Cross, Carl E.] Helmut Schmidt Univ, Hamburg, Germany.
[Cross, Carl E.] NTNU, Trondheim, Norway.
RP Cross, CE (reprint author), Los Alamos Natl Lab, POB 1663,MS G770, Los Alamos, NM 87545 USA.
EM cecross@lanl.gov
NR 54
TC 0
Z9 0
U1 5
U2 9
PU CARL HANSER VERLAG
PI MUNICH
PA KOLBERGERSTRASSE 22, POSTFACH 86 04 20, D-81679 MUNICH, GERMANY
SN 0025-5300
J9 MATER TEST
JI Mater. Test.
PY 2014
VL 56
IS 7-8
BP 583
EP 590
DI 10.3139/120.110599
PG 8
WC Materials Science, Characterization & Testing
SC Materials Science
GA AM2ZT
UT WOS:000339721000009
ER
PT J
AU Bertovic, M
Calmon, P
Carter, L
Fischer, J
Forsyth, D
Holstein, R
McGrath, B
Muller, C
Pavlovic, M
Ronneteg, U
Rummel, W
Schubert, F
Selby, G
AF Bertovic, Marija
Calmon, Pierre
Carter, Luke
Fischer, Jay
Forsyth, David
Holstein, Ralf
McGrath, Bernard
Mueller, Christina
Pavlovic, Mato
Ronneteg, Ulf
Rummel, Ward
Schubert, Frank
Selby, Greg
TI Summary of the "Open Space Technology Discussions" on Reliability of NDE
SO MATERIALS TESTING
LA English
DT Article
DE NDE reliability; POD; Bayesian approach; structural health monitoring;
human factors; open space technology
AB Since the beginnings of the European American Workshops (EAW) in 1997, the aim was to gather the experts in NDE reliability and discuss burning topics with the aim of identifying crucial problems and suggesting ways to move forward. This was usually achieved during the so-called break-out sessions, in which predetermined topics were discussed. During the 5th EAW, held in Berlin in 2013, this approach was replaced by an Open Space Technology (OST) approach. The benefit of this approach is seen in the freedom of topic choices, i. e., the topics are not predetermined but rather arise at that moment in that space and by the participants' choice. The following topics arose: new reliability methods (Bayesian, MAPOD, ... ), structural health monitoring, definition of requirements of NDE by customer versus provider, what value of POD is good enough?, human factors, manual versus automated inspection, and basic concepts of reliability of NDE. The participants were encouraged to walk from one session to another and openly express their opinions. These were in the end summarized by a chosen group of moderators and presented in this paper.
C1 [Bertovic, Marija; Pavlovic, Mato] BAM Fed Inst Mat Res & Testing, Berlin, Germany.
[Carter, Luke] AMEC, London, England.
[Carter, Luke] NDT Consultant, Coventry, W Midlands, England.
[Holstein, Ralf; Pavlovic, Mato; Schubert, Frank] German Soc Nondestruct Testing DGZfP, Berlin, Germany.
[Holstein, Ralf] DGZfP Educ & Training Ltd, Berlin, Germany.
[Mueller, Christina] BAM Fed Inst Mat Res & Testing, Div NDT, Berlin, Germany.
[Mueller, Christina] Reliabil NDT, Austin, TX USA.
[Pavlovic, Mato] Dev Flight Simulator Soko ZI, Zagreb, Croatia.
[Ronneteg, Ulf] ODAL, NDE Chem, Norrkoping, Sweden.
[Ronneteg, Ulf] CSM Mat Bodycote, NDE, Linkoping, Sweden.
[Ronneteg, Ulf] Swedish Nucl Waste & Management Co SKB, Oskarshamn, Sweden.
[Selby, Greg] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Selby, Greg] Elect Power Res Inst, NDE Program, Palo Alto, CA USA.
RP Bertovic, M (reprint author), Bundesanstalt Mat Forsch & Prufung, Fachbereich 8 3, Unter Eichen 87, D-12205 Berlin, Germany.
EM Marija.Bertovic@bam.de
RI Bertovic, Marija/C-4815-2012; Pavlovic, Mato/D-5848-2016
NR 7
TC 3
Z9 3
U1 2
U2 4
PU CARL HANSER VERLAG
PI MUNICH
PA KOLBERGERSTRASSE 22, POSTFACH 86 04 20, D-81679 MUNICH, GERMANY
SN 0025-5300
J9 MATER TEST
JI Mater. Test.
PY 2014
VL 56
IS 7-8
BP 602
EP 606
DI 10.3139/120.110604
PG 5
WC Materials Science, Characterization & Testing
SC Materials Science
GA AM2ZT
UT WOS:000339721000012
ER
PT J
AU Jha, RK
Kern, TL
Fox, DT
Strauss, CEM
AF Jha, Ramesh K.
Kern, Theresa L.
Fox, David T.
Strauss, Charlie E. M.
TI Engineering an Acinetobacter regulon for biosensing and high-throughput
enzyme screening in E-coli via flow cytometry
SO NUCLEIC ACIDS RESEARCH
LA English
DT Article
ID PETROBACTIN BIOSYNTHESIS; TRANSCRIPTION; SELECTION; GENES; BIOCATALYSTS;
ACTIVATORS; LIBRARIES; DESIGN; PCAU
AB We created a single cell sorting system to screen for enzyme activity in Escherichia coli producing 3,4 dihydroxy benzoate (34DHB). To do so, we engineered a transcription factor regulon controlling the expression of green fluorescent protein (GFP) for induction by 34DHB. An autoregulated transcription factor, pcaU, was borrowed from Acinetobacter sp ADP1 to E. coli and its promoter region adapted for activity in E. Coli. The engineered pcaU regulon was inducible at >5 mu M exogenous 34DHB, making it a sensitive biosensor for this industrially significant nylon precursor. Addition of a second plasmid provided IPTG inducible expression of dehydroshikimate dehydratase enzyme (AsbF), which converts endogenous dehydroshikimate to 34DHB. This system produced GFP fluorescence in an IPTG dose-dependent manner, and was easily detected in single cell on flow cytometer despite a moderate catalytic efficiency of AsbF. Using fluorescence-activated cell sorting (FACS), individual cells carrying the active AsbF could be isolated even when diluted into a decoy population of cells carrying a mutant (inactivated) AsbF variant at one part in a million. The same biosensor was also effective for further optimization of itself. FACS on E. coli carrying randomized loci in the promoter showed several variants with enhanced response to 34DHB.
C1 [Jha, Ramesh K.; Kern, Theresa L.; Fox, David T.; Strauss, Charlie E. M.] Los Alamos Natl Lab, Biosci Div, MS M888, Los Alamos, NM 87545 USA.
RP Strauss, CEM (reprint author), Los Alamos Natl Lab, Biosci Div, MS M888, POB 1663, Los Alamos, NM 87545 USA.
EM cems@lanl.gov
OI Jha, Ramesh/0000-0001-5904-3441
FU Defense Threat Reduction Agency (DTRA) [CBCALL12-LS6-1-0622]; Los Alamos
[WSYN_BIO]
FX Defense Threat Reduction Agency (DTRA) [CBCALL12-LS6-1-0622]; Los Alamos
[WSYN_BIO]. Source of open access funding: DTRA [CBCALL12-LS6-1-0622].
NR 28
TC 14
Z9 15
U1 4
U2 27
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0305-1048
EI 1362-4962
J9 NUCLEIC ACIDS RES
JI Nucleic Acids Res.
PY 2014
VL 42
IS 12
BP 8150
EP 8160
DI 10.1093/nar/gku444
PG 11
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA AM2XA
UT WOS:000339713200055
PM 24861620
ER
PT J
AU Fleming, GR
Scholes, GD
AF Fleming, Graham R.
Scholes, Gregory D.
BE Mohseni, M
Omar, Y
Engel, G
Plenio, MB
TI Quantum biology: introduction
SO QUANTUM EFFECTS IN BIOLOGY
LA English
DT Editorial Material; Book Chapter
C1 [Fleming, Graham R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Fleming, Graham R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Scholes, Gregory D.] Univ Toronto, Dept Chem, Inst Opt Sci, Toronto, ON M5S 1A1, Canada.
[Scholes, Gregory D.] Univ Toronto, Ctr Quantum Informat & Quantum Control, Toronto, ON, Canada.
RP Fleming, GR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
NR 0
TC 0
Z9 0
U1 1
U2 8
PU CAMBRIDGE UNIV PRESS
PI CAMBRIDGE
PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND
BN 978-1-107-01080-2
PY 2014
BP 3
EP 13
D2 10.1017/CBO9780511863189
PG 11
WC Biophysics
SC Biophysics
GA BA9NS
UT WOS:000339622100003
ER
PT S
AU Poli, FM
Bonoli, PT
Kessel, CE
Batchelor, DB
Gorelenkova, M
Harvey, B
Petrov, Y
AF Poli, F. M.
Bonoli, P. T.
Kessel, C. E.
Batchelor, D. B.
Gorelenkova, M.
Harvey, B.
Petrov, Y.
BE Tuccillo, AA
Ceccuzzi, S
TI Heating and current drive requirements towards Steady State operation in
ITER
SO RADIOFREQUENCY POWER IN PLASMAS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 20th Topical Conference on Radio Frequency Power in Plasmas
CY JUN 25-28, 2013
CL Sorrento, ITALY
SP Italian Natl Agcy New Technologies, Energy & Sustainable Econ Dev
DE steady state; ITER; ITBs; transport; current drive; heating; confinement
ID TRANSPORT BARRIERS; L-MODE; TOKAMAKS; PLASMA
AB Steady state scenarios envisaged for ITER aim at optimizing the bootstrap current, while maintaining sufficient confinement and stability to provide the necessary fusion yield. Non-inductive scenarios will need to operate with Internal Transport Barriers (ITBs) in order to reach adequate fusion gain at typical currents of 9 MA. However, the large pressure gradients associated with ITBs in regions of weak or negative magnetic shear can be conducive to ideal MHD instabilities, reducing the no-wall limit. The E x B flow shear from toroidal plasma rotation is expected to be low in ITER, with a major role in the ITB dynamics being played by magnetic geometry. Combinations of H/CD sources that maintain weakly reversed magnetic shear profiles throughout the discharge are the focus of this work. Time-dependent transport simulations indicate that, with a trade-off of the EC equatorial and upper launcher, the formation and sustainment of quasi-steady state ITBs could be demonstrated in ITER with the baseline heating configuration. However, with proper constraints from peeling-ballooning theory on the pedestal width and height, the fusion gain and the maximum non-inductive current are below the ITER target. Upgrades of the heating and current drive system in ITER, like the use of Lower Hybrid current drive, could overcome these limitations, sustaining higher non-inductive current and confinement, more expanded ITBs which are ideal MHD stable.
C1 [Poli, F. M.; Kessel, C. E.; Gorelenkova, M.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
[Bonoli, P. T.] MIT, Plasma Sci & Fusion Ctr, Cambridge, MA 02139 USA.
[Batchelor, D. B.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Harvey, B.; Petrov, Y.] CompX, Del Mar, CA 92014 USA.
RP Poli, FM (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
RI poli, francesca/C-2226-2008
OI poli, francesca/0000-0003-3959-4371
FU U.S. Department of Energy [DE-ACO2-CH0911466, DE-ACO5-000R22725];
Scientific Discovery through Advanced Computing (SciDAC) program; Office
of Science; Fusion Energy Sciences; Office of Science of the U.S.
Department of Energy [DE-ACO2-05CH11231]
FX This work was supported by the U.S. Department of Energy under contract
DE-ACO2-CH0911466. ORNL is managed by UT-Battelle, LLC for the U.S.
Department of Energy under Contract DE-ACO5-000R22725. Partial support
for this work was provided through the Scientific Discovery through
Advanced Computing (SciDAC) program, funded by U.S. Department of
Energy, Office of Science, Fusion Energy Sciences. 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-ACO2-05CH11231.
NR 26
TC 0
Z9 0
U1 0
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1210-1
J9 AIP CONF PROC
PY 2014
VL 1580
BP 33
EP 40
DI 10.1063/1.4864499
PG 8
WC Physics, Applied; Physics, Fluids & Plasmas
SC Physics
GA BA9NY
UT WOS:000339626400004
PM 25080623
ER
PT S
AU Zhang, XJ
Zhao, YP
Wan, BN
Ding, BJ
Xu, GS
Gong, XZ
Li, JG
Lin, Y
Taylor, G
Noterdaeme, JM
Braun, F
Wukitch, S
Magne, R
Litaudon, X
Kumazawa, R
Kasahara, H
AF Zhang, X. J.
Zhao, Y. P.
Wan, B. N.
Ding, B. J.
Xu, G. S.
Gong, X. Z.
Li, J. G.
Lin, Y.
Taylor, G.
Noterdaeme, J. M.
Braun, F.
Wukitch, S.
Magne, R.
Litaudon, X.
Kumazawa, R.
Kasahara, H.
CA EAST Team
BE Tuccillo, AA
Ceccuzzi, S
TI LHCD and ICRF heating experiments in H-mode plasmas on EAST
SO RADIOFREQUENCY POWER IN PLASMAS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 20th Topical Conference on Radio Frequency Power in Plasmas
CY JUN 25-28, 2013
CL Sorrento, ITALY
SP Italian Natl Agcy New Technologies, Energy & Sustainable Econ Dev
DE LHCD; ICRH; H-Mode; EAST
ID TOKAMAK
AB An ICRF system with power up to 6.0 MW and a LHCD system up to 4MW have been applied for heating and current drive experiments on EAST. Intensive lithium wall coating was intensively used to reduce particle recycling and Hydrogen concentration in Deuterium plasma, which is needed for effective ICRF and LHCD power absorption in high density plasmas. Significant progress has been made with ICRF heating and LHW current drive for realizing the H-mode plasma operation in EAST. In 2010, H-mode was generated and sustained by LHCD alone, where lithium coating and gas puffing launcher mouth were applied to improve the LHCD power coupling and penetration into the core plasmas at high density of H-modes. During the last two experimental campaigns, ICRF Heating experiments were carried out at the fixed frequency of 27MHz, achieving effective ions and electrons heating with the H Minority Heating (H-MH) mode, where electrons are predominantly heated by collisions with high energy minority ions. The H-MH mode gave the best plasma performance, and realized H-mode alone in 2012. Combination of ICRF and LHW power injection generated the H-mode plasmas with various ELMy characteristics. The first successful application of the ICRF Heating in the D (He3) plasma was also achieved. The progress on ICRF heating, LHCD experiments and their application in achieving H-mode operation from last two years will be discussed in this report.
C1 [Zhang, X. J.; Zhao, Y. P.; Wan, B. N.; Ding, B. J.; Xu, G. S.; Gong, X. Z.; Li, J. G.] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China.
[Lin, Y.] MIT, Plasma Sci & Fusion Ctr, Cambridge, MA 02139 USA.
[Taylor, G.] Princeton Plasma Phys Lab, Princeton, NJ USA.
[Noterdaeme, J. M.] Max Planck Inst Plasma Phys, D-85748 Garching, Germany.
[Noterdaeme, J. M.] Univ Ghent, Ghent, Belgium.
[Magne, R.; Litaudon, X.] CEA, IRFM, F-13108 St Paul Les Durance, France.
[Kumazawa, R.; Kasahara, H.] Natl Inst Fusion Sci, Toki, Gifu, Japan.
RP Zhang, XJ (reprint author), Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China.
FU EAST operation and diagnostics group; National Natural Science
Foundation of China [11105179, 10725523, 10721505, 10990210, 10990212,
11075182]; National Magnetic Confinement Fusion Science Program of China
[2011GB101000, 2011GB107000, 2011GB107001]; JSPSNRE-NSTC A3 Foresight
Program in the field of Plasma Physics [11261140328]
FX The authors would like to acknowledge the support of and EAST operation
and diagnostics group. This work was supported partially by the National
Natural Science Foundation of China under Grant No 11105179, 10725523,
10721505, 10990210, 10990212, 11075182 and sponsored in part by National
Magnetic Confinement Fusion Science Program of China under Contract
2011GB101000, 2011GB107000, 2011GB107001 and by JSPSNRE-NSTC A3
Foresight Program in the field of Plasma Physics (NSTC no 11261140328).
NR 17
TC 0
Z9 0
U1 6
U2 27
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1210-1
J9 AIP CONF PROC
PY 2014
VL 1580
BP 49
EP 56
DI 10.1063/1.4864501
PG 8
WC Physics, Applied; Physics, Fluids & Plasmas
SC Physics
GA BA9NY
UT WOS:000339626400006
ER
PT S
AU Jacquet, P
Bobkov, V
Brezinsek, S
Brix, M
Campergue, AL
Colas, L
Czarnecka, A
Drewelow, P
Graham, M
Klepper, CC
Lerche, E
Mayoral, ML
Meigs, A
Milanesio, D
Monakhov, I
Mlynar, J
Putterich, T
Sirinelli, A
Van-Eester, D
AF Jacquet, P.
Bobkov, V.
Brezinsek, S.
Brix, M.
Campergue, A-L.
Colas, L.
Czarnecka, A.
Drewelow, P.
Graham, M.
Klepper, C. C.
Lerche, E.
Mayoral, M. -L.
Meigs, A.
Milanesio, D.
Monakhov, I.
Mlynar, J.
Puetterich, T.
Sirinelli, A.
Van-Eester, D.
CA JET-EFDA Contributors
BE Tuccillo, AA
Ceccuzzi, S
TI ICRF Heating in JET During Initial Operations with the ITER-Like Wall
SO RADIOFREQUENCY POWER IN PLASMAS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 20th Topical Conference on Radio Frequency Power in Plasmas
CY JUN 25-28, 2013
CL Sorrento, ITALY
SP Italian Natl Agcy New Technologies, Energy & Sustainable Econ Dev
DE Tokamak; JET; ICRF
AB In 2011/12, JET started operation with its new ITER-Like Wall (ILW) made of a tungsten (W) divertor and a beryllium (Be) main chamber wall. The impact of the new wall material on the JET Ion Cyclotron Resonance Frequency (ICRF) operation was assessed and also the properties of JET plasmas heated with ICRF were studied. No substantial change of the antenna coupling resistance was observed with the ILW as compared with the carbon wall. Heat-fluxes on the protecting limiters close the antennas quantified using Infra-Red (IR) thermography (maximum 4.5 MW/m(2) in current drive phasing) are within the wall power load handling capabilities. A simple RF sheath rectification model using the antenna near-fields calculated with the TOPICA code can well reproduce the heat-flux pattern around the antennas. ICRF heating results in larger tungsten and nickel (Ni) contents in the plasma and in a larger core radiation when compared to Neutral Beam Injection (NET) heating. Some experimental facts indicate that main-chamber W components could be an important impurity source: the divertor W influx deduced from spectroscopy is comparable when using RF or NET at same power and comparable divertor conditions; the W content is also increased in ICRF-heated limiter plasmas; and Be evaporation in the main chamber results in a strong and long lasting reduction of the impurity level. The ICRF specific high-Z impurity content decreased when operating at higher plasma density and when increasing the hydrogen concentration from 5% to 20%. Despite the higher plasma bulk radiation, ICRF exhibited overall good plasma heating efficiency; The ICRF power can be deposited at plasma centre and the radiation is mainly from the outer part of the plasma. Application of ICRF heating in H-mode plasmas started, and the beneficial effect of ICRF central electron heating to prevent W accumulation in the plasma core could be observed.
C1 [Jacquet, P.; Brix, M.; Graham, M.; Mayoral, M. -L.; Meigs, A.; Monakhov, I.; Sirinelli, A.] Cuham Sci Ctr, Euratom CCFE Fus Assoc, Abingdon OX14 3DB, Oxon, England.
[Bobkov, V.; Drewelow, P.; Puetterich, T.] Euratom CCFE Fusion Assoc, Culham Sci Ctr, Abingdon 0X14 3DB, Oxon, England.
[Brezinsek, S.] Max Planck Inst Plasmaphysik, EURATOM Assoziat, Garching, Germany.
[Campergue, A-L.] Assoc EURATOM FZJ, IEK 4, Forschungszentrum Julich, Garching, Germany.
[Colas, L.] Ecole Natl Ponts & Chaussees, F-77455 Marne La Vallee, France.
[Czarnecka, A.] CEA, IRFM, F-13108 St Paul Les Durance, France.
[Klepper, C. C.] Assoc Euratom IPPLM, PL-01497 Warsaw, Poland.
[Van-Eester, D.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Milanesio, D.] Associat EURATOM Belgian State, ERM KMS, Brussels, Belgium.
[Milanesio, D.] Politecnico Torino, Dept Elect, Turin, Italy.
[Mlynar, J.] Assoc EURATOM IPP CR, Prague 182, Czech Republic.
RP Jacquet, P (reprint author), Cuham Sci Ctr, Euratom CCFE Fus Assoc, Abingdon OX14 3DB, Oxon, England.
RI Putterich, Thomas/A-6962-2012; Mlynar, Jan/G-9941-2014; Brezinsek,
Sebastijan/B-2796-2017
OI Putterich, Thomas/0000-0002-8487-4973; Mlynar, Jan/0000-0003-4718-4321;
Brezinsek, Sebastijan/0000-0002-7213-3326
FU European Communities between EURA TOM; European Communities between
CCFE; RCUK Energy Programme [EP/I501045]
FX This work, part-funded by the European Communities under the contracts
of Association between EURA TOM and CCFE, was carried out within the
framework of the European Fusion Development Agreement. The views and
opinions expressed herein do not necessarily reflect those of the
European Commission. This work was also funded by the RCUK Energy
Programme under grant EP/I501045.
NR 24
TC 0
Z9 0
U1 1
U2 10
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1210-1
J9 AIP CONF PROC
PY 2014
VL 1580
BP 65
EP 72
DI 10.1063/1.4864503
PG 8
WC Physics, Applied; Physics, Fluids & Plasmas
SC Physics
GA BA9NY
UT WOS:000339626400008
ER
PT S
AU Perkins, RJ
Ahn, JW
Bell, RE
Bertelli, N
Diallo, A
Gerhardt, S
Gray, TK
Green, DL
Jaeger, EF
Hosea, JC
Jaworski, MA
LeBlanc, BP
Kramer, GJ
McLean, A
Maingi, R
Phillips, CK
Podesta, M
Roquemore, L
Ryan, PM
Sabbagh, S
Scotti, F
Taylor, G
Wilson, JR
AF Perkins, R. J.
Ahn, J-W
Bell, R. E.
Bertelli, N.
Diallo, A.
Gerhardt, S.
Gray, T. K.
Green, D. L.
Jaeger, E. F.
Hosea, J. C.
Jaworski, M. A.
LeBlanc, B. P.
Kramer, G. J.
McLean, A.
Maingi, R.
Phillips, C. K.
Podesta, M.
Roquemore, L.
Ryan, P. M.
Sabbagh, S.
Scotti, F.
Taylor, G.
Wilson, J. R.
BE Tuccillo, AA
Ceccuzzi, S
TI Towards Identifying The Mechanisms Underlying Field-Aligned Edge-Loss Of
HHFW Power On NSTX
SO RADIOFREQUENCY POWER IN PLASMAS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 20th Topical Conference on Radio Frequency Power in Plasmas
CY JUN 25-28, 2013
CL Sorrento, ITALY
SP Italian Natl Agcy New Technologies, Energy & Sustainable Econ Dev
DE ICRF; NSTX; HHFW; RF Heating and Current Drive; Spherical Torus
ID HARMONIC FAST WAVES; SPHERICAL-TORUS-EXPERIMENT; ALCATOR C-MOD; PLASMAS;
PERFORMANCE; TOKAMAK; ARRAY; FLUX; ITER
AB Fast-wave heating will be a major heating scheme on TIER, as it can heat ions directly and is relatively unaffected by the large machine size unlike neutral beams. However, fast-wave interactions with the plasma edge can lead to deleterious effects such as, in the case of the high-harmonic fast-wave (HHFW) system on NSTX, large losses of fast-wave power in the scrape off layer (SOL) under certain conditions. In such scenarios, a large fraction of the lost HHFW power is deposited on the upper and lower divertors in bright spiral shapes. The responsible mechanism(s) has not yet been identified but may include fast-wave propagation in the scrape off layer, parametric decay instability, and RF currents driven by the antenna reactive fields. Understanding and mitigating these losses is important not only for improving the heating and current-drive on NSTX-Upgrade but also for understanding fast-wave propagation across the SOL in any fast-wave system. This talk summarizes experimental results demonstrating that the flow of lost HHFW power to the divertor regions largely follows the open SOL magnetic field lines. This lost power flux is relatively large close to both the antenna and the last closed flux surface with a reduced level in between, so the loss mechanism cannot be localized to the antenna. At the same time, significant losses also occur along field lines connected to the inboard edge of the bottom antenna plate. The power lost within the spirals is roughly estimated, showing that these field-aligned losses to the divertor are significant but may not account for the total HHFW loss. To elucidate the role of the onset layer for perpendicular fast-wave propagation with regards to fast-wave propagation in the SOL, a cylindrical cold-plasma model is being developed. This model, in addition to advanced RF codes such as TORIC and AORSA, is aimed at identifying the underlying mechanism(s) behind these SOL losses, to minimize their effects in NSTX-U, and to predict their importance in ITER.
C1 [Perkins, R. J.; Bell, R. E.; Bertelli, N.; Diallo, A.; Gerhardt, S.; Hosea, J. C.; Jaworski, M. A.; LeBlanc, B. P.; Kramer, G. J.; Maingi, R.; Phillips, C. K.; Podesta, M.; Roquemore, L.; Scotti, F.; Taylor, G.; Wilson, J. R.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
[Ahn, J-W; Gray, T. K.; Green, D. L.; McLean, A.; Ryan, P. M.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Jaeger, E. F.] XCEL Engn Inc, Oak Ridge, TN USA.
[Sabbagh, S.] Columbia Univ, New York, NY USA.
RP Perkins, RJ (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
FU USDOE [DE-ACO2-09CH11466]
FX This work is supported by USDOE Contract No. DE-ACO2-09CH11466.
NR 33
TC 2
Z9 2
U1 2
U2 6
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1210-1
J9 AIP CONF PROC
PY 2014
VL 1580
BP 81
EP 88
DI 10.1063/1.4864505
PG 8
WC Physics, Applied; Physics, Fluids & Plasmas
SC Physics
GA BA9NY
UT WOS:000339626400010
ER
PT S
AU Pinsker, RI
Austin, ME
Diem, SJ
Doyle, EJ
Grierson, BA
Hosea, JC
Jackson, GL
Kaufman, MC
Luce, TC
Maggiora, R
Milanesio, D
Nagy, A
Perkins, R
Politzer, PA
Porkolab, M
Ryan, PM
Solomon, WM
Taylor, G
Turco, F
Zeng, L
AF Pinsker, R. I.
Austin, M. E.
Diem, S. J.
Doyle, E. J.
Grierson, B. A.
Hosea, J. C.
Jackson, G. L.
Kaufman, M. C.
Luce, T. C.
Maggiora, R.
Milanesio, D.
Nagy, A.
Perkins, R.
Politzer, P. A.
Porkolab, M.
Ryan, P. M.
Solomon, W. M.
Taylor, G.
Turco, F.
Zeng, L.
BE Tuccillo, AA
Ceccuzzi, S
TI Fast Wave Direct Electron Heating in Advanced Inductive and ITER
Baseline Scenario Discharges in DIII-D
SO RADIOFREQUENCY POWER IN PLASMAS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 20th Topical Conference on Radio Frequency Power in Plasmas
CY JUN 25-28, 2013
CL Sorrento, ITALY
SP Italian Natl Agcy New Technologies, Energy & Sustainable Econ Dev
DE Ion cyclotron heating; electron damping; high harmonics
ID CURRENT DRIVE; D TOKAMAK; ABSORPTION
AB Fast Wave (FW) heating and electron cyclotron heating (ECH) are used in the DIII-D tokamak to study plasmas with low applied torque and dominant electron heating characteristic of burning plasmas. FW heating via direct electron damping has reached the 2.5 MW level in high performance ELMy H-mode plasmas. In Advanced Inductive (AI) plasmas, core FW heating was found to be comparable to that of ECH, consistent with the excellent first-pass absorption of FWs predicted by ray-tracing models at high electron beta. FW heating at the similar to 2 MW level to ELMy H-mode discharges in the TIER Baseline Scenario (IBS) showed unexpectedly strong absorption of FW power by injected neutral beam (NB) ions, indicated by significant enhancement of the D-D neutron rate, while the intended absorption on core electrons appeared rather weak. The AT and IBS discharges are compared in an effort to identify the causes of the different response to FWs.
C1 [Pinsker, R. I.; Jackson, G. L.; Luce, T. C.; Politzer, P. A.] Gen Atom Co, POB 85608, San Diego, CA 92186 USA.
[Austin, M. E.] Univ Texas Austin, Austin, TX 78712 USA.
[Diem, S. J.; Grierson, B. A.; Kaufman, M. C.; Perkins, R.; Ryan, P. M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Doyle, E. J.; Zeng, L.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA.
[Grierson, B. A.; Hosea, J. C.; Solomon, W. M.; Taylor, G.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Maggiora, R.; Milanesio, D.] Politecn Torino, Dept Elect, Turin, Italy.
[Porkolab, M.] MIT, Cambridge, MA 02139 USA.
[Turco, F.] Columbia Univ, New York, NY 10027 USA.
RP Pinsker, RI (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA.
OI Solomon, Wayne/0000-0002-0902-9876
FU US Department of Energy [DE-FCO2-04ER54698, SC-G903402,
DEACO5-000R22725, DE-ACO2-09CH11466]
FX This work was supported by the US Department of Energy under
DE-FCO2-04ER54698, SC-G903402, DEACO5-000R22725, and DE-ACO2-09CH11466.
NR 7
TC 1
Z9 1
U1 0
U2 8
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1210-1
J9 AIP CONF PROC
PY 2014
VL 1580
BP 183
EP 186
DI 10.1063/1.4864518
PG 4
WC Physics, Applied; Physics, Fluids & Plasmas
SC Physics
GA BA9NY
UT WOS:000339626400023
ER
PT S
AU Green, DL
Berry, LA
AF Green, D. L.
Berry, L. A.
BE Tuccillo, AA
Ceccuzzi, S
TI Adding Linear Kinetic Effects to Existing Finite-Difference Simulations
SO RADIOFREQUENCY POWER IN PLASMAS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 20th Topical Conference on Radio Frequency Power in Plasmas
CY JUN 25-28, 2013
CL Sorrento, ITALY
SP Italian Natl Agcy New Technologies, Energy & Sustainable Econ Dev
DE Radio Frequency; Simulation; Kinetic; Finite-Difference; Finite-Element
AB We present the proof-of-principle KINETIC-J module for iterative addition of all-order kinetic effects (parallel and perpendicular) in both the IC and EC frequency ranges, to any existing FD or FE frequency-domain full-wave RF simulation. The module calculates the linear, kinetic plasma current, such that given f(0) (r, v) and the cold plasma solution as an initial guess at the wave electric field, iterating the KINETIC-J module and the existing code (its internal plasma current replaced with the output of the module) converges to the kinetic solution. Since KINETIC-J does not use the k-space representation of the hot plasma dielectric, in favor of data parallel numeric integrals, implementing the module requires minimal code changes.
C1 [Green, D. L.; Berry, L. A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Green, DL (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA.
NR 6
TC 0
Z9 0
U1 0
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1210-1
J9 AIP CONF PROC
PY 2014
VL 1580
BP 199
EP 202
DI 10.1063/1.4864522
PG 4
WC Physics, Applied; Physics, Fluids & Plasmas
SC Physics
GA BA9NY
UT WOS:000339626400027
ER
PT S
AU Van Eester, D
Lerche, E
Jacquet, P
Bobkov, V
Czarnecka, A
Coenen, JW
Colas, L
Crombe, K
Graham, M
Jachmich, S
Jofrrin, E
Klepper, CC
Kiptily, V
Lehnen, M
Maggi, C
Marcotte, F
Matthews, G
Mayoral, ML
Mc Cormick, K
Monakhov, I
Nave, MFF
Neu, R
Noble, C
Ongena, J
Putterich, T
Rimini, F
Solano, ER
van Rooij, G
AF Van Eester, D.
Lerche, E.
Jacquet, P.
Bobkov, V.
Czarnecka, A.
Coenen, J. W.
Colas, L.
Crombe, K.
Graham, M.
Jachmich, S.
Jofrrin, E.
Klepper, C. C.
Kiptily, V.
Lehnen, M.
Maggi, C.
Marcotte, F.
Matthews, G.
Mayoral, M. -L.
Mc Cormick, K.
Monakhov, I.
Nave, M. F. F.
Neu, R.
Noble, C.
Ongena, J.
Puetterich, T.
Rimini, F.
Solano, E. R.
van Rooij, G.
CA JET-EFDA Contributors
BE Tuccillo, AA
Ceccuzzi, S
TI Effect of the minority concentration on ion cyclotron resonance heating
in presence of the ITER-like wall in JET
SO RADIOFREQUENCY POWER IN PLASMAS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 20th Topical Conference on Radio Frequency Power in Plasmas
CY JUN 25-28, 2013
CL Sorrento, ITALY
SP Italian Natl Agcy New Technologies, Energy & Sustainable Econ Dev
DE ICRH; minority heating; impurities; ITER-like wall
AB The most recent JET campaign has focused on characterizing operation with the "ITER-like" wall. One of the questions that needed to be answered is whether the auxiliary heating methods do not lead to unacceptably high levels of impurity influx, preventing fusion-relevant operation. In view of its high single pass absorption, hydrogen minority fundamental cyclotron heating in a deuterium plasma was chosen as the reference wave heating scheme in the ion cyclotron domain of frequencies. The present paper discusses the plasma behavior as a function of the minority concentration X [H] in L-mode with up to 4MW of RF power. It was found that the tungsten concentration decreases by a factor of 4 when the minority concentration is increased from X[H] approximate to 5% to X[H] approximate to 20% and that it remains at a similar level when X[H] is further increased to 30%; a monotonic decrease in Beryllium emission is simultaneously observed. The radiated power drops by a factor of 2 and reaches a minimum at X [H] approximate to 20%. It is discussed that poor single pass absorption at too high minority concentrations ultimately tailors the avoidance of the RF induced impurity influx. The edge density being different for different minority concentrations, it is argued that the impact ICRH has on the fate of heavy ions is not only a result of core (wave and transport) physics but also of edge dynamics and fueling.
C1 [Van Eester, D.; Lerche, E.; Crombe, K.; Jachmich, S.; Ongena, J.] TEC Partner, LPP ERM KMS, Assoc Euratom Belgian State, Brussels, Belgium.
[Jacquet, P.; Graham, M.; Kiptily, V.; Matthews, G.; Mayoral, M. -L.; Mc Cormick, K.; Monakhov, I.; Noble, C.; Rimini, F.; Solano, E. R.] Euratom CCFE Fusion Assoc, Culham Sci Ctr, Abingdon, England.
[Bobkov, V.; Maggi, C.; Puetterich, T.] MPI Plasmaphys Euratom Assoziat, Garching, Germany.
[Czarnecka, A.; Kiptily, V.; Matthews, G.; Mayoral, M. -L.; Mc Cormick, K.; Noble, C.; Rimini, F.; Solano, E. R.] Inst Plasma Phys & Laser Microfus, Warsaw, Poland.
[Coenen, J. W.; Lehnen, M.] IEK 4, EURATOM FZJ, TEC Partner, Julich, Germany.
[Colas, L.; Jofrrin, E.] CEA, IRFM, St Paul Les Durance, France.
[Klepper, C. C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Marcotte, F.] Ecole Nationale Ponts & Chaussees, F-77455 MarnelaVallee, France.
[Nave, M. F. F.] Assoc EURATOM Lisbon, ISTIPFN, Lisbon, Portugal.
[van Rooij, G.] EURATOM, DIFFER, Nieuwegein, Netherlands.
RP Van Eester, D (reprint author), TEC Partner, LPP ERM KMS, Assoc Euratom Belgian State, Brussels, Belgium.
RI Putterich, Thomas/A-6962-2012; Nave, Maria/A-5581-2013; Coenen, Jan
Willem/K-7802-2013; Solano, Emilia/A-1212-2009; Neu, Rudolf /B-4438-2010
OI Putterich, Thomas/0000-0002-8487-4973; Nave, Maria/0000-0003-2078-6584;
Coenen, Jan Willem/0000-0002-8579-908X; Solano,
Emilia/0000-0002-4815-3407; Neu, Rudolf /0000-0002-6062-1955
FU EURATOM
FX This work was supported by EURATOM and carried out within the framework
of the European Fusion Development Agreement. The views and opinions
expressed herein do not necessarily reflect those of the European
Commission.
NR 6
TC 3
Z9 3
U1 1
U2 7
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1210-1
J9 AIP CONF PROC
PY 2014
VL 1580
BP 223
EP 226
DI 10.1063/1.4864528
PG 4
WC Physics, Applied; Physics, Fluids & Plasmas
SC Physics
GA BA9NY
UT WOS:000339626400033
ER
PT S
AU Hosea, JC
Perkins, R
Jaworski, MA
Kramer, GJ
Ahn, JW
Bertelli, N
Gerhardt, S
Gray, TK
LeBlanc, BP
Maingi, R
Phillips, CK
Roquemore, L
Ryan, PM
Sabbagh, S
Taylor, G
Tritz, K
Wilson, JR
AF Hosea, J. C.
Perkins, R.
Jaworski, M. A.
Kramer, G. J.
Ahn, J. -W.
Bertelli, N.
Gerhardt, S.
Gray, T. K.
LeBlanc, B. P.
Maingi, R.
Phillips, C. K.
Roquemore, L.
Ryan, P. M.
Sabbagh, S.
Taylor, G.
Tritz, K.
Wilson, J. R.
CA NSTX Team
BE Tuccillo, AA
Ceccuzzi, S
TI SPIRAL field mapping on NSTX for comparison to divertor RF heat
deposition
SO RADIOFREQUENCY POWER IN PLASMAS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 20th Topical Conference on Radio Frequency Power in Plasmas
CY JUN 25-28, 2013
CL Sorrento, ITALY
SP Italian Natl Agcy New Technologies, Energy & Sustainable Econ Dev
DE RF heating; Spherical tokamak
ID SCRAPE-OFF LAYER; CURRENTS
AB Field-aligned losses of HHFW power in the SQL of NSTX have been studied with IR cameras and probes, but the interpretation of the data depends somewhat on the magnetic equilibrium reconstruction. Both EFIT02 and LRDFIT04 magnetic equilibria have been used with the SPIRAL code to provide field mappings in the scrape off layer (SQL) on NSTX from the midplane SQL in front of the HHFW antenna to the divertor regions, where the heat deposition spirals are measured. The field-line mapping spiral produced at the divertor plate with LRDFIT04 matches the HHFW-produced heat deposition best, in general. An independent method for comparing the field-line strike patterns on the outer divertor for the two equilibria is provided by measuring Langmuir probe characteristics in the vicinity of the outer vessel strike radius (OVSR) and observing the effect on floating potential, saturation current, and zero-probe-voltage current (I-v=0) with the crossing of the OVSR over the probe. Interestingly, these comparisons also reveal that LRDFIT04 gives the more accurate location of the predicted OVSR, and confirm that the RF power flow in the SQL is essentially along the magnetic field lines. Also, the probe characteristics and I-v=0 data indicate that current flows under the OVSR in the divertor tiles in most cases studied.
C1 [Hosea, J. C.; Perkins, R.; Jaworski, M. A.; Kramer, G. J.; Bertelli, N.; Gerhardt, S.; LeBlanc, B. P.; Maingi, R.; Phillips, C. K.; Roquemore, L.; Taylor, G.; Wilson, J. R.] Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
[Ahn, J. -W.; Gray, T. K.; Ryan, P. M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Sabbagh, S.] Columbia Univ, New York, NY 10027 USA.
[Tritz, K.] Johns Hopkins Univ, Baltimore, MD 21218 USA.
RP Hosea, JC (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
FU USDOE [DE-AC02-09CH11466]
FX The authors wish to acknowledge the support of Dr. Masayuki Ono and Dr.
Jonathan Menard, the NSTX team and the machine, RF, and neutral beam
operations groups. This work is supported by USDOE Contract
No.DE-AC02-09CH11466.
NR 11
TC 1
Z9 1
U1 0
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1210-1
J9 AIP CONF PROC
PY 2014
VL 1580
BP 251
EP 254
DI 10.1063/1.4864535
PG 4
WC Physics, Applied; Physics, Fluids & Plasmas
SC Physics
GA BA9NY
UT WOS:000339626400040
ER
PT S
AU Salvador, SM
Maggiora, R
Goulding, RH
Moore, JA
Pinsker, RI
Nagy, A
AF Salvador, S. M.
Maggiora, R.
Goulding, R. H.
Moore, J. A.
Pinsker, R. I.
Nagy, A.
BE Tuccillo, AA
Ceccuzzi, S
TI Guided Radar System for Arc Detection : Initial Results at DIIID
SO RADIOFREQUENCY POWER IN PLASMAS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 20th Topical Conference on Radio Frequency Power in Plasmas
CY JUN 25-28, 2013
CL Sorrento, ITALY
SP Italian Natl Agcy New Technologies, Energy & Sustainable Econ Dev
DE arc detection; ICRF; UWB guided radar
AB A guided radar arc detection and localization system has been designed, fabricated, installed in the feed line to one of the resonant loops on the 285/300 FW antenna, and successfully tested during vacuum conditioning. The system injects a train of binary phase-modulated pulses at a carrier frequency of 25 MHz up-shifted to around 450MHz into the main high power transmission line connected to the antenna through a septate coupler and a circulator. The pulses are reflected by arcs, and the time delay provides the distance to the arc. The reflected signals are analyzed in real time, with a time response sufficient to provide active arc detection as well as localization.
RF pulses have been injected into the antenna at a power level of up to 650kW. The arc location was varied by either puffing gas into the vacuum vessel, in which case arcs always occurred in the antenna, or injecting RF without a gas puff, in which case the arcs almost always occurred in the transmission line feeding the antenna. The localization obtained during these initial tests had a relatively low resolution of about 2 m, but arcs occurring inside or outside the antenna could clearly be differentiated and corresponded with the expected location. The septate coupler proved fully compatible with the antenna feed and matching network and improved performance significantly in comparison to the use of directional couplers.
C1 [Salvador, S. M.; Maggiora, R.] Politecn Torino, Turin, Italy.
[Goulding, R. H.; Moore, J. A.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA.
[Pinsker, R. I.; Nagy, A.] Gen Atom, San Diego, CA 13330 USA.
RP Salvador, SM (reprint author), Politecn Torino, Turin, Italy.
RI Goulding, Richard/C-5982-2016
OI Goulding, Richard/0000-0002-1776-7983
FU European Communitie
FX This work, supported by the European Communities, was carried out within
the framework of the European Fusion Development Agreement.
NR 4
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 978-0-7354-1210-1
J9 AIP CONF PROC
PY 2014
VL 1580
BP 283
EP 286
DI 10.1063/1.4864543
PG 4
WC Physics, Applied; Physics, Fluids & Plasmas
SC Physics
GA BA9NY
UT WOS:000339626400048
ER
PT S
AU Bertelli, N
Jaeger, EF
Berry, L
Bonoli, PT
Budny, R
Fu, GY
Gerhardt, S
Green, DL
Harvey, RW
Hosea, JC
Kramer, GJ
LeBlanc, B
Perkins, RJ
Phillips, CK
Ryan, P
Taylor, G
Valeo, EJ
Wilson, JR
Wright, JC
AF Bertelli, N.
Jaeger, E. F.
Berry, L.
Bonoli, P. T.
Budny, R.
Fu, G. -Y.
Gerhardt, S.
Green, D. L.
Harvey, R. W.
Hosea, J. C.
Kramer, G. J.
LeBlanc, B.
Perkins, R. J.
Phillips, C. K.
Ryan, P.
Taylor, G.
Valeo, E. J.
Wilson, J. R.
Wright, J. C.
BE Tuccillo, AA
Ceccuzzi, S
TI Fast wave heating in the NSTX-Upgrade device
SO RADIOFREQUENCY POWER IN PLASMAS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 20th Topical Conference on Radio Frequency Power in Plasmas
CY JUN 25-28, 2013
CL Sorrento, ITALY
SP Italian Natl Agcy New Technologies, Energy & Sustainable Econ Dev
ID PLASMAS
AB NSTX-Upgrade will operate with toroidal magnetic fields (B-T) up to 1 T, nearly twice the value used in the experiments on NSTX, and the available NBI power will be doubled. The doubling of B-T while retaining the 30 MHz RE source frequency has moved the heating regime from the high harmonic fast wave (HHFW) regime used in NSTX to the mid harmonic fast wave (MEW) regime. By making use of the full wave code AORSA, this work shows that direct ion damping (mainly by thermal ions localized at the 5th harmonic resonance) might be significant in NSTX-Upgrade under TRANSP predicted full performance conditions and the electron and ion absorption is sensitive to the ratio of electron and ion temperature. Launching at high toroidal wave number appears to be one way to significantly reduce the ion damping. By using the extended AORSA code, which includes a detailed description of the scrape-off layer in the field solutions, we found a large electric field amplitude outside of the last closed flux surface as previously seen in NSTX from AORSA simulations (D. L. Green, et al, Phys. Rey Lett. 107, 145001 (2011)). Preliminary results by introducing a collision damping in the scrape-off layer in the AORSA code to represent a damping process are presented, showing for the first time absorbed power in the scrape-off layer.
C1 [Bertelli, N.; Budny, R.; Fu, G. -Y.; Gerhardt, S.; Hosea, J. C.; Kramer, G. J.; LeBlanc, B.; Perkins, R. J.; Phillips, C. K.; Taylor, G.; Valeo, E. J.; Wilson, J. R.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
[Jaeger, E. F.] XCEL Engn Inc, Oak Ridge, TN 37830 USA.
[Berry, L.; Green, D. L.; Ryan, P.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Bonoli, P. T.; Wright, J. C.] MIT Plasma Sci & Fusion Ctr, Cambridge, MA 02139 USA.
[Harvey, R. W.] CompX, Del Mar, CA 92014 USA.
RP Bertelli, N (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
FU SciDAC Center for Wave-Plasma Interactions [DE-FC02-01ER54648]; US
Department of Energy (DOE) [DE-AC02-CH0911466]
FX This work was supported by the SciDAC Center for Wave-Plasma
Interactions Contract No. DE-FC02-01ER54648 and US Department of Energy
(DOE) Contract DE-AC02-CH0911466.
NR 11
TC 5
Z9 5
U1 1
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1210-1
J9 AIP CONF PROC
PY 2014
VL 1580
BP 310
EP 313
DI 10.1063/1.4864550
PG 4
WC Physics, Applied; Physics, Fluids & Plasmas
SC Physics
GA BA9NY
UT WOS:000339626400055
ER
PT S
AU Harvey, RW
Petrov, YV
Liu, D
Heidbrink, WW
Taylor, G
Bonoli, PT
AF Harvey, R. W.
Petrov, Yu. V.
Liu, D.
Heidbrink, W. W.
Taylor, G.
Bonoli, P. T.
BE Tuccillo, AA
Ceccuzzi, S
TI CQL3D-HYBRID-FOW Modeling of the Temporal Dynamics of NSTX NBI plus HHFW
Discharges
SO RADIOFREQUENCY POWER IN PLASMAS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 20th Topical Conference on Radio Frequency Power in Plasmas
CY JUN 25-28, 2013
CL Sorrento, ITALY
SP Italian Natl Agcy New Technologies, Energy & Sustainable Econ Dev
DE ICRF; QL; quasilinear; orbit integration
ID ALPHA; CODE
AB The CQL3D Fokker-Planck code[1] has been upgraded to include physics of finite-orbit-width (FOW) guiding-center orbits[2,3], as compared with the previous zero-orbit-width (ZOW) model, and a recent first-order orbit calculation[2]. The Fast Ion Diagnostic FIDA[4,5] signal resulting from neutral beam (NBI) and high harmonic fast wave (HHFW) RF power injected into the NSTX spherical tokamak can now be modeled quite accurately, using ion distributions from the CQL3D-Hybrid-FOW code, a rapidly executing variant that includes FOW+gyro-orbit losses to the plasma edge, FOW effects on NBI injection and HHFW diffusion, but does not include neoclassical radial diffusion. Accurate simulation of prompt fast ion (FI) losses is a key feature of the marked modeling improvement relative to previous ZOW results. By comparing NBI-only and NBI+HHFW shots, independent confirmation of the usual 35% edge loss of HHFW in NSTX is obtained. Further, HHFW prompt losses from the plasma core are shown to be 3X as large (>25%) as the NBI-only case. The modulated NBI and time-dependent background plasma variations and charge exchange losses of fast ions are accounted for, and the temporal neutron variation is in approximate agreement with NSTX observations.
C1 [Harvey, R. W.; Petrov, Yu. V.] CompX, Del Mar, CA 92014 USA.
[Liu, D.; Heidbrink, W. W.] Univ Calif Irvine, Irvine, CA 92717 USA.
[Taylor, G.] Princeton Plasma Phys Lab, Princeton, NJ 08541 USA.
[Bonoli, P. T.] MIT, Cambridge, MA 02139 USA.
RP Harvey, RW (reprint author), CompX, Del Mar, CA 92014 USA.
RI Liu, Deyong/Q-2797-2015
OI Liu, Deyong/0000-0001-9174-7078
FU USDOE [SC0006614, ER54744, ER54649]
FX Research supported by USDOE Grants SC0006614, ER54744, and ER54649.
NR 9
TC 0
Z9 0
U1 0
U2 3
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1210-1
J9 AIP CONF PROC
PY 2014
VL 1580
BP 314
EP 317
DI 10.1063/1.4864551
PG 4
WC Physics, Applied; Physics, Fluids & Plasmas
SC Physics
GA BA9NY
UT WOS:000339626400056
ER
PT S
AU Goulding, RH
McCarthy, MP
Rasmussen, DA
Swain, DW
Barber, GC
Barbier, CN
Campbell, IH
Fredd, E
Gray, SL
Greenough, N
Moon, RL
Pesavento, PV
Peters, RB
Sanabria, RM
Sparks, DO
Wolframe, WJ
AF Goulding, R. H.
McCarthy, M. P.
Rasmussen, D. A.
Swain, D. W.
Barber, G. C.
Barbier, C. N.
Campbell, I. H.
Fredd, E.
Gray, S. L.
Greenough, N.
Moon, R. L.
Pesavento, P. V.
Peters, R. B.
Sanabria, R. M.
Sparks, D. O.
Wolframe, W. J.
BE Tuccillo, AA
Ceccuzzi, S
TI Status of Transmission Line and Matching Network Design and Testing for
the ITER Ion Cyclotron Heating and Current Drive System
SO RADIOFREQUENCY POWER IN PLASMAS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 20th Topical Conference on Radio Frequency Power in Plasmas
CY JUN 25-28, 2013
CL Sorrento, ITALY
SP Italian Natl Agcy New Technologies, Energy & Sustainable Econ Dev
DE ITER ICH ion cyclotron heating
AB The TIER Ion Cyclotron Heating and Current Drive System is required to deliver 20 MW of RF Power in the frequency range 40-55 MHz to TIER plasmas for pulse lengths up to 3600 s. Components used in the transmission line and matching system include 305 mm diameter, Z0 = 50 Omega components with gas cooled inner conductors, and 330 mm diameter, Z0 = 20 Omega components with water-cooled inner conductors. All operate at pulse lengths up to 3600 s. Components used include transmission line sections, gas barriers, hybrid power splitters, stubs, hybrid phase shifters, coaxial 4-port switches, and vacuum capacitors. The system uses pre-matching near the antenna and a matching network similar to 20 m away, including decouplers that compensate for the mutual inductance between antenna array elements. Some 50 Omega component test articles have been fabricated and will be shown. High power RF test fixtures have been constructed including a resonant ring that produces 6 MW of circulating power with 340 kW input power and VSWR as low as 1.15. It has been used to investigate the dependence of inner conductor temperature on gas velocity at power levels up to similar to 6 MW for pulse lengths up to 1 hour.
C1 [Goulding, R. H.; McCarthy, M. P.; Rasmussen, D. A.; Swain, D. W.; Barber, G. C.; Barbier, C. N.; Campbell, I. H.; Gray, S. L.; Moon, R. L.; Pesavento, P. V.; Peters, R. B.; Sanabria, R. M.; Sparks, D. O.; Wolframe, W. J.] Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA.
[Fredd, E.; Greenough, N.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA.
RP Goulding, RH (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA.
FU U.S. Department of Energy [DE-AC05-00OR22725]
FX This manuscript has been authored by UT-Battelle, LLC, under contract
number DE-AC05-00OR22725 with the U.S. Department of Energy. The United
States Government retains and the publisher, by accepting the article
for publication, acknowledges that the United States Government retains
a non-exclusive, paid-up, irrevocable, world-wide license to publish or
reproduce the published form of this manuscript, or allow others to do
so, for United States Government purposes.
NR 7
TC 0
Z9 0
U1 0
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1210-1
J9 AIP CONF PROC
PY 2014
VL 1580
BP 370
EP 373
DI 10.1063/1.4864565
PG 4
WC Physics, Applied; Physics, Fluids & Plasmas
SC Physics
GA BA9NY
UT WOS:000339626400070
ER
PT S
AU Mumgaard, RT
Scott, SD
Shiraiwa, S
Wallace, GM
Parker, RR
Hughes, JW
Granetz, RS
AF Mumgaard, R. T.
Scott, S. D.
Shiraiwa, S.
Wallace, G. M.
Parker, R. R.
Hughes, J. W.
Granetz, R. S.
BE Tuccillo, AA
Ceccuzzi, S
TI Measurement of the Current Profile in Alcator C-Mod with Lower Hybrid
Current Drive Using an Upgraded Motional Stark Effect Diagnostic
SO RADIOFREQUENCY POWER IN PLASMAS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 20th Topical Conference on Radio Frequency Power in Plasmas
CY JUN 25-28, 2013
CL Sorrento, ITALY
SP Italian Natl Agcy New Technologies, Energy & Sustainable Econ Dev
DE Lower Hybrid Current Drive; current profile measurement; Motional Stark
Effect; non-inductive
ID FREQUENCIES
AB Upgrades to the motional Stark effect (MSE) diagnostic on Alcator C-mod have enabled accurate measurement of the current profile using pitch angle constrained magnetic equilibrium reconstructions. The MSE diagnostic utilizes an intrashot calibration technique along with kinetic profiles to constrain the reconstruction throughout the discharge. The system was used to study the current profile in plasmas with substantial Lower Hybrid Current Drive (LHCD), including fully non-inductive discharges sustained for several current relaxation times. The current profile evolution is reconstructed using the MSE data with 100ms time resolution as LHCD is applied to the plasma and as the plasma current profile relaxes back to inductively driven after LHCD ceases. The LH driven current is observed to be off-axis and significantly broadens the plasma current profile, resulting in q(o), above 1 and sawtooth suppression. In fully non-inductive discharges the reconstructed q profile is flat or non-monotonic. In plasmas with significant LHCD the plasma evolves towards a non-inductive equilibrium but in certain discharges large MHD instabilities coincide with a significant reduction in current drive. The reconstructed driven current profile was measured over a variety of parameters including plasma current, launched n(parallel to) and LH power. The plasma density was varied over a range where previous work shows the current drive efficiency decreases precipitously from the classic efficiency scaling proportional to 1/n(e). As the density is increased the LHCD modification of the current profile is observed to decrease, consistent with decreases in non-thermal ECE emission and hard X-ray production indicating negligible current drive.
C1 [Mumgaard, R. T.; Shiraiwa, S.; Wallace, G. M.; Parker, R. R.; Hughes, J. W.; Granetz, R. S.] MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
[Scott, S. D.] Princeton Plasma Phys Lab, Princeton, NJ USA.
RP Mumgaard, RT (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
FU USDOE [DE-FCO2-99ER54512, DEACO2 -09CH11466]
FX The authors gratefully acknowledge the contributions from the Alcator
C-Mod team, particularly the work of the lower hybrid and diagnostic
beam teams. This work is supported by USDOE awards DE-FCO2-99ER54512 and
DEACO2 -09CH11466.
NR 12
TC 1
Z9 1
U1 0
U2 9
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1210-1
J9 AIP CONF PROC
PY 2014
VL 1580
BP 394
EP 397
DI 10.1063/1.4864571
PG 4
WC Physics, Applied; Physics, Fluids & Plasmas
SC Physics
GA BA9NY
UT WOS:000339626400076
ER
PT S
AU Lau, C
Lin, Y
Hanson, GR
Wallace, G
Wukitch, SJ
LaBombard, B
Ochoukov, R
Shiraiwa, S
Terry, J
Wilgen, J
AF Lau, C.
Lin, Y.
Hanson, G. R.
Wallace, G.
Wukitch, S. J.
LaBombard, B.
Ochoukov, R.
Shiraiwa, S.
Terry, J.
Wilgen, J.
BE Tuccillo, AA
Ceccuzzi, S
TI LH and ICRF driven scrape-off-layer density modifications and their
impact on LH coupling on Alcator C-Mod
SO RADIOFREQUENCY POWER IN PLASMAS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 20th Topical Conference on Radio Frequency Power in Plasmas
CY JUN 25-28, 2013
CL Sorrento, ITALY
SP Italian Natl Agcy New Technologies, Energy & Sustainable Econ Dev
DE Lower Hybrid; ICRF; SQL; reflectometer; LH coupling; density profile;
Alcator C-Mod
AB Studies of scrape-off-layer (SQL) density profiles by a reflectometer at three poloidal locations adjacent to the lower hybrid (LH) launcher show that for a wide range of plasma parameters, the application of either LH power only or combined with ion cyclotron range of frequencies (ICRF) power induces large modifications on SQL profiles and also creates strong poloidal density striations. With density striations, calculating LH reflection coefficient assuming a poloidally uniform density profile becomes inadequate to represent experimental conditions. The experimentally measured LH reflection coefficient appears to be close to that calculated using the measured density profile in front of the waveguide mouth, where strong density depletion is observed. Using profiles from other locations can result in a factor of 2 too low in reflection coefficient calculation. The poloidal density striations with LH power can be reproduced by a 2-D diffusive-convective model that includes the dynamics of the LH induced ExB convective eddies. Adding ICRF power, the density modifications and striations become more complicated and often lead to worse LH coupling, especially in cases that the ICRF antenna is magnetically connected to the LH launcher.
C1 [Lau, C.; Lin, Y.; Wallace, G.; Wukitch, S. J.; LaBombard, B.; Ochoukov, R.; Shiraiwa, S.; Terry, J.] MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
[Hanson, G. R.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Lau, C (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
EM ylin@psfc.mit.edu
OI , Cornwall/0000-0002-8576-5867
FU US DoE [DE-FCO2-99ER54512]; MIT [DE-ACO5-000R22725]; ORNL
FX Work supported by US DoE under awards DE-FCO2-99ER54512 at MIT and
DE-ACO5-000R22725 at ORNL.
NR 8
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 978-0-7354-1210-1
J9 AIP CONF PROC
PY 2014
VL 1580
BP 410
EP 413
DI 10.1063/1.4864575
PG 4
WC Physics, Applied; Physics, Fluids & Plasmas
SC Physics
GA BA9NY
UT WOS:000339626400080
ER
PT S
AU Hendries, ER
Anderson, JK
Diem, S
Forest, CB
Harvey, RW
Reusch, JA
Seltzman, AH
Sovinec, CR
AF Hendries, E. R.
Anderson, J. K.
Diem, S.
Forest, C. B.
Harvey, R. W.
Reusch, J. A.
Seltzman, A. H.
Sovinec, C. R.
BE Tuccillo, AA
Ceccuzzi, S
TI MHD SIMULATION OF RF CURRENT DRIVE IN MST
SO RADIOFREQUENCY POWER IN PLASMAS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 20th Topical Conference on Radio Frequency Power in Plasmas
CY JUN 25-28, 2013
CL Sorrento, ITALY
SP Italian Natl Agcy New Technologies, Energy & Sustainable Econ Dev
DE Magnetohydrodynamics; electron Bernstein wave; RFP
AB Auxiliary heating and current drive using RF waves such as the electron Bernstein wave (EBW) promises to advance the performance of the reversed field pinch (RFP). In previous computational work [1], a hypothetical edge-localized current drive is shown to suppress the tearing activity which governs the macroscopic transport properties of the RFP. The ideal conditions for tearing stabilization include a reduced toroidal induction, and precise width and radial position of the Gaussian-shaped external current drive.
In support of the EBW experiment on the Madison Symmetric Torus, an integrated modeling scheme now incorporates ray tracing and Fokker-Plank predictions of auxiliary current into single fluid MHD. Simulations at low Lundquist number (S similar to 10(4)) generally agree with the previous work; significantly more burdensome simulations at MST-like Lundquist number (S similar to 3 x 10(6)) show unexpected results. The effect on nonlinearly saturated current profile by a particular RF-driven external force decreases in magnitude and widens considerably as the Lundquist number increases toward experimental values. Simulations reproduce the periodic current profile relaxation events observed in experiment (sawteeth) in the absence of current profile control. Reduction of the tearing mode amplitudes is still observable; however, reduction is limited to periods between the large bursts of magnetic activity at each sawtooth. The sawtoothing pattern persists with up to 10 MW of externally applied RF power. Periods with prolonged low tearing amplitude are predicted with a combination of external current drive and a reduced toroidal loop voltage, consistent with previous conclusions. Finally, the resistivity profile is observed to have a strong effect on the optimal externally driven current profile for mode stabilization.
C1 [Hendries, E. R.; Anderson, J. K.; Forest, C. B.; Reusch, J. A.; Seltzman, A. H.; Sovinec, C. R.] Univ Wisconsin, Madison, WI 53706 USA.
[Diem, S.] Oak Ridge Natl Lab, Oak Ridge, TN 37771 USA.
[Harvey, R. W.] CompX, San Diego, DE USA.
RP Hendries, ER (reprint author), Univ Wisconsin, Madison, WI 53706 USA.
OI Reusch, Joshua/0000-0002-8424-9422
FU USDOE
FX This work is supported by the USDOE.
NR 3
TC 0
Z9 0
U1 0
U2 6
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1210-1
J9 AIP CONF PROC
PY 2014
VL 1580
BP 510
EP 513
DI 10.1063/1.4864600
PG 4
WC Physics, Applied; Physics, Fluids & Plasmas
SC Physics
GA BA9NY
UT WOS:000339626400105
ER
PT S
AU Taylor, G
Bertelli, N
Ellis, RA
Gerhardt, SP
Harvey, RW
Hosea, JC
Poli, F
Raman, R
Smirnov, AP
AF Taylor, G.
Bertelli, N.
Ellis, R. A.
Gerhardt, S. P.
Harvey, R. W.
Hosea, J. C.
Poli, F.
Raman, R.
Smirnov, A. P.
BE Tuccillo, AA
Ceccuzzi, S
TI Physics Design of a 28 GHz Electron Heating System for the National
Spherical Torus Experiment Upgrade
SO RADIOFREQUENCY POWER IN PLASMAS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 20th Topical Conference on Radio Frequency Power in Plasmas
CY JUN 25-28, 2013
CL Sorrento, ITALY
SP Italian Natl Agcy New Technologies, Energy & Sustainable Econ Dev
ID PLASMA; WAVES; MODE
AB A megawatt-level, 28 GHz electron heating system is being designed to support non-inductive (NI) plasma current (I-p) start-up and local heating and current drive (CD) in H-mode discharges in the National Spherical Torus Experiment Upgrade (NSTX-U). The development of fully NI I-p start-up and ramp-up is an important goal of the NSTX-U research program. 28 GHz electron cyclotron (EC) heating is predicted to rapidly increase the central electron temperature (T-e(0)) of low density NI plasmas generated by Coaxial Helicity Injection (CHI). The increased T-e(0) will significantly reduce the I-p decay rate of CHI plasmas, allowing the coupling of fast wave heating and neutral beam injection. Also 28 GHz electron Bernstein wave (EBW) heating and CD can be used during the I-p flat top in NSTX-U discharges when the plasma is overdense. Ray tracing and Fokker-Planck numerical simulation codes have been used to model EC and EBW heating and CD in NSTX-U. This paper presents a pre-conceptual design for the 28 GHz heating system and some of the results from the numerical simulations.
C1 [Taylor, G.; Bertelli, N.; Ellis, R. A.; Gerhardt, S. P.; Hosea, J. C.; Poli, F.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
RP Taylor, G (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
RI poli, francesca/C-2226-2008; Smirnov, Alexander /A-4886-2014
OI poli, francesca/0000-0003-3959-4371;
NR 21
TC 0
Z9 0
U1 0
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1210-1
J9 AIP CONF PROC
PY 2014
VL 1580
BP 534
EP 537
DI 10.1063/1.4864606
PG 4
WC Physics, Applied; Physics, Fluids & Plasmas
SC Physics
GA BA9NY
UT WOS:000339626400111
ER
PT J
AU Giangregorio, MM
Dastmalchi, B
Suvorova, A
Bianco, GV
Hingerl, K
Bruno, G
Losurdo, M
AF Giangregorio, Maria M.
Dastmalchi, Babak
Suvorova, Alexandra
Bianco, Giuseppe V.
Hingerl, Kurt
Bruno, Giovanni
Losurdo, Maria
TI Effect of Interface energy and electron transfer on shape, plasmon
resonance and SERS activity of supported surfactant-free gold
nanoparticles
SO RSC ADVANCES
LA English
DT Article
ID ENHANCED INFRARED-ABSORPTION; NANOSTRUCTURES; SPECTROSCOPY; SCATTERING;
PARTICLES; SUBSTRATE; BEHAVIOR; PHONON; MODEL; AU
AB For device integration purposes plasmonic metal nanoparticles must be supported/deposited on substrates. Therefore, it is important to understand the interaction between surfactant-free plasmonic metal nanoparticles and different substrates, as well as to identify factors that drive nanoparticles nucleation and formation. Here we show that for nanoparticles grown directly on supports, the substrate/nanoparticle interfacial energy affects the equilibrium shape of nanoparticles. Therefore, oblate, spherical and prolate Au nanoparticles (NPs) with different shapes have been deposited by radiofrequency sputtering on substrates with different characteristics, namely a dielectric oxide Al2O3 (0001), a narrow bandgap semiconductor Si (100), and a polar piezoelectric wide bandgap semiconductor 4H-SiC (0001). We demonstrate that the higher the substrate surface energy, the higher the interaction with the substrate, resulting in flat prolate Au nanoparticles. The resulting localized surface plasmon resonance characteristics of Au NPs/Al2O3, Au NPs/Si and Au NPs/SiC have been determined by spectroscopic ellipsometry and correlated with their structure and shape studied by transmission electron microscopy. Finally, we have demonstrated the diverse response of the tailored plasmonic substrates as ultrasensitive SERS chemical sensors. Flat oblates Au NPs on SiC result in an enhanced and more stable SERS response. The experimental findings are validated by numerical simulations of electromagnetic fields.
C1 [Giangregorio, Maria M.; Bianco, Giuseppe V.; Bruno, Giovanni; Losurdo, Maria] CNR IMIP, Inst Inorgan Methodol & Plasmas, I-70126 Bari, Italy.
[Dastmalchi, Babak] Iowa State Univ, Ames Lab US DOE, Ames, IA 50011 USA.
[Dastmalchi, Babak] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
[Suvorova, Alexandra] Univ Western Australia, Ctr Microscopy Characterisat & Anal, Crawley, WA 6009, Australia.
[Hingerl, Kurt] Johannes Kepler Univ Linz, Ctr Surface & Nanoanalyt, A-4040 Linz, Austria.
RP Giangregorio, MM (reprint author), CNR IMIP, Inst Inorgan Methodol & Plasmas, Via Orabona 4, I-70126 Bari, Italy.
EM michelaria.giangregorio@cnr.it
RI Suvorova, Alexandra/B-9335-2011; Dastmalchi, Babak/C-9050-2013;
OI GIANGREGORIO, MARIAMICHELA/0000-0002-4605-1546; LOSURDO,
MARIA/0000-0002-8008-5192; Suvorova, Alexandra/0000-0001-8970-6058;
BRUNO, GIOVANNI/0000-0003-3116-1176; Dastmalchi,
Babak/0000-0002-2701-3712; BIANCO, GIUSEPPE VALERIO/0000-0002-0986-1531
FU Australian Academy of Science
FX A. S. acknowledges Australian Academy of Science for funding awarded
under Scientific Visits to Europe scheme.
NR 39
TC 0
Z9 0
U1 3
U2 29
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2014
VL 4
IS 56
BP 29660
EP 29667
DI 10.1039/c4ra03749a
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA AM2HA
UT WOS:000339669800036
ER
PT B
AU Liao, H
Groth, K
Stevens-Adams, S
Xing, J
AF Liao, H.
Groth, K.
Stevens-Adams, S.
Xing, J.
BE Steenbergen, RDJM
VanGelder, PHAJM
Miraglia, S
Vrouwenvelder, ACWMT
TI Leveraging existing human performance data for quantifying the IDHEAS
HRA method
SO SAFETY, RELIABILITY AND RISK ANALYSIS: BEYOND THE HORIZON
LA English
DT Proceedings Paper
CT 22nd Annual Conference on European Safety and Reliability (ESREL)
CY SEP 29-OCT 02, 2013
CL Amsterdam, NETHERLANDS
SP Netherlands Org Appl Sci Res, Delft Univ Technol, Dutch Soc Risk Management & Reliabil Anal, European Safety & Reliabil Assoc
ID NUCLEAR-POWER-PLANTS; MODEL
AB The Integrated Decision-tree Human Event Analysis System (IDHEAS) was developed as a new Human Reliability Analysis (HRA) method to reduce HRA variability and improve estimates of Human Error Probabilities (HEPs) (NRC, 2012). Based on cognitive models and mechanisms underlying human behavior, the method employs a framework of 14 Crew Failure Modes (CFMs) to represent human failures that are typically for human performance in nuclear power plant control rooms. A Decision Tree (DT) was constructed for each CFM to assess the probability of the CFM occurring in different contexts with each path in the DT representing a different context. This article documents a study for collecting and using available human performance data and relevant information to inform HEP estimates as part of the efforts of developing the quantification model described above. The data needs for the quantification model are first discussed, and the technical challenges in collecting and using such data are then presented.
C1 [Liao, H.; Groth, K.; Stevens-Adams, S.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Liao, H (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
NR 23
TC 0
Z9 0
U1 2
U2 2
PU CRC PRESS-TAYLOR & FRANCIS GROUP
PI BOCA RATON
PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA
BN 978-1-315-81559-6; 978-1-138-00123-7
PY 2014
BP 563
EP 569
PG 7
WC Engineering, Manufacturing
SC Engineering
GA BA9IA
UT WOS:000339427101009
ER
PT B
AU Groth, KM
LaChance, JL
Harris, AP
AF Groth, Katrina M.
LaChance, Jeffrey L.
Harris, Aaron P.
BE Steenbergen, RDJM
VanGelder, PHAJM
Miraglia, S
Vrouwenvelder, ACWMT
TI Design-stage QRA for indoor vehicular hydrogen fueling systems
SO SAFETY, RELIABILITY AND RISK ANALYSIS: BEYOND THE HORIZON
LA English
DT Proceedings Paper
CT 22nd Annual Conference on European Safety and Reliability (ESREL)
CY SEP 29-OCT 02, 2013
CL Amsterdam, NETHERLANDS
SP Netherlands Org Appl Sci Res, Delft Univ Technol, Dutch Soc Risk Management & Reliabil Anal, European Safety & Reliabil Assoc
ID IGNITION
AB In recent years, high pressure gaseous hydrogen has become increasingly popular as a vehicle fuel. The National Fire Protection Association (NFPA) is one of several organizations developing codes and standards to ensure the safety of the vehicular hydrogen infrastructure. As part of code development activities, NFPA is exploring the use of Quantitative Risk Assessment (QRA) to help provide a technical basis for specific requirements in the Hydrogen Technologies Code (NFPA 2). The authors conducted the QRA activity to 1) provide screening-level insights into the fatality risk from code-compliant, indoor hydrogen fueling systems for NFPA 2 Chapter 10 (Gaseous Hydrogen Vehicle Fueling Facilities) and 2) identify gaps in QRA that must be resolved to enable more detailed, robust QRA analyses. This paper documents the results of this early-stage QRA activity and suggests several QRA improvements that would enable more widespread use of QRA for vehicular hydrogen applications.
C1 [Groth, Katrina M.; LaChance, Jeffrey L.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Groth, KM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
NR 18
TC 0
Z9 0
U1 2
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 978-1-315-81559-6; 978-1-138-00123-7
PY 2014
BP 2247
EP 2255
PG 9
WC Engineering, Manufacturing
SC Engineering
GA BA9IA
UT WOS:000339427103031
ER
PT S
AU Barker, J
Basnet, A
Bhaduri, M
Burch, C
Chow, A
Li, X
Oates, WS
Massad, JE
Smith, R
AF Barker, Jessica
Basnet, Amod
Bhaduri, Moinak
Burch, Caroline
Chow, Amenda
Li, Xue
Oates, William S.
Massad, Jordan E.
Smith, Ralph
BE Liao, WH
TI Photoresponsive Polymer Design for Solar Concentrator Self-Steering
Heliostats
SO ACTIVE AND PASSIVE SMART STRUCTURES AND INTEGRATED SYSTEMS 2014
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Active and Passive Smart Structures and Integrated Systems
CY MAR 10-13, 2014
CL San Diego, CA
SP SPIE, Amer Soc Mech Engineers
AB Concentrating solar energy and transforming it into electricity is clean, economical and renewable. One design of solar power plants consists of an array of heliostats which redirects sunlight to a fixed receiver tower and the generated heat, is converted into electricity. Currently, the angles of elevation of heliostats are controlled by motors and drives that are costly and require diverting, power that can otherwise be used for producing electricity. We consider replacing the motor and drive system of the heliostat with a photosensitive polymer design that can tilt the mirror using the ability of the polymer to deform when subjected to light. The light causes the underlying molecular structure to change and subsequently, the polymer deforms. The deformation of the polymer is quantified in terms of photostrictive constitutive relations. A mathematical model is derived governing the behaviour of the angle of elevation as the photostrain varies. Photostrain depends on the composition of the polymer, intensity and temperature of light and angle of light polarization. Preliminary findings show a photomechanical rod structural design can provide 60 degrees elevation for temperatures of about 40 degrees C. A photomechanical beam structural design can generate more tilt at lower temperatures. The mathematical analysis illustrates that photostrains on the order of 1% to 10% are desired for both rod and beam designs to produce sufficient tilt under most heliostat field conditions.
C1 [Barker, Jessica] Univ Massachusetts Lowell, Dept Math Sci, Lowell, MA 01854 USA.
[Basnet, Amod] Univ N Carolina, Dept Math & Stat, Chapel Hill, NC 27515 USA.
[Bhaduri, Moinak] Univ Nevada, Dept Math Sci, Reno, NV 89557 USA.
[Burch, Caroline] Clemson Univ, Dept Math Sci, Clemson, SC 29631 USA.
[Chow, Amenda] Univ Waterloo, Dept Appl Math, Waterloo, ON N2L 3G1, Canada.
[Li, Xue] Univ Texas Dallas, Dept Math Sci, Richardson, TX 75083 USA.
[Oates, William S.] Florida State Univ, Tallahassee, FL 32306 USA.
[Massad, Jordan E.] Sandia Natl Labs, Livermore, CA 94550 USA.
[Smith, Ralph] North Carolina State Univ, Raleigh, NC 27695 USA.
RP Barker, J (reprint author), Univ Massachusetts Lowell, Dept Math Sci, Lowell, MA 01854 USA.
EM woates@fsu.edu
NR 8
TC 0
Z9 0
U1 0
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9983-7
J9 PROC SPIE
PY 2014
VL 9057
AR UNSP 90572L
DI 10.1117/12.2045964
PG 14
WC Optics; Physics, Applied
SC Optics; Physics
GA BA9GW
UT WOS:000339374200080
ER
PT S
AU Ozkaynak, H
Isakov, V
Baxter, L
Graham, SE
Sarnat, SE
Sarnat, JA
Mulholland, J
Turpin, B
Rich, DQ
Lunden, M
AF Oezkaynak, Haluk
Isakov, Vlad
Baxter, Lisa
Graham, Stephen E.
Sarnat, Stefanie Ebert
Sarnat, Jeremy A.
Mulholland, James
Turpin, Barbara
Rich, David Q.
Lunden, Melissa
BE Steyn, DG
Builtjes, PJH
Timmermans, RMA
TI Evaluating Alternative Exposure Metrics Used for Multipollutant Air
Quality and Human Health Studies
SO AIR POLLUTION MODELING AND ITS APPLICATION XXII
SE NATO Science for Peace and Security Series C-Environmental Security
LA English
DT Proceedings Paper
CT 32nd NATO/SPS International Technical Meeting on Air Pollution Modeling
and its Application
CY MAY 07-11, 2012
CL Utrecht, NETHERLANDS
SP N Atlantic Treaty Org Sci Peace & Secur, TNO, VVM, Univ British Columbia, Earth, Environm & Life Sci, Univ British Columbia, Space Sci, Environm Canada, European Assoc Sci Air Pollut
DE Air pollution; Exposure; Air quality modeling; Epidemiologic studies
ID SPATIAL VARIABILITY
AB Epidemiologic studies of air pollution have traditionally relied upon surrogates of personal pollutant exposures, such as ambient concentration measurements from fixed-site pollutant monitors. This study evaluates the performance of alternative measured and modeled exposure metrics for multiple particulate and gaseous pollutants, in the context of different epidemiologic studies performed by EPA, Rutgers/Rochester/LBNL and Emory/Georgia Tech researchers. Alternative exposure estimation approaches used, included: central site or interpolated monitoring data, regional pollution levels based on measurements or models (CMAQ) and local scale (AERMOD) air quality models, hybrid models, statistically blended modeling and measurement data, concentrations adjusted by home infiltration rates based on LBNL algorithms, and population human exposure (SHEDS and APEX) model predictions. The Emory/Georgia Tech team examined the acute morbidity effects of ambient traffic-related pollutants (CO, NOx, PM2.5 and PM2.5 EC) and ozone using time series analyses of emergency department (ED) visits and case-crossover analysis of implantable cardioverter defibrillator (ICD) detected ventricular arrhythmias in Atlanta, GA. The Rutgers/Rochester/LBL team examined the associations between PM2.5 mass and its species with myocardial infarction (case-crossover study) and adverse birth outcomes (cohort study) in New Jersey. Initially, the various exposure indicators/metrics were compared in terms of their ability to characterize the spatial and temporal variations of multiple ambient air pollutants across the different study areas. These metrics were then used to examine associations between ambient air pollution and adverse health effects. Next, pollutant-specific relative risks (RRs) obtained from epidemiologic analyses of the alternative exposure metrics were evaluated against those obtained from using a conventional approach (i.e., central site data alone). Pollutant and metric dependent exposure prediction differences were found in some cases, indicating a non-uniform exposure prediction error structure across pollutants. Results suggest the need for additional refinements to methods used to estimate exposures in support of different types of air pollution epidemiologic studies.
C1 [Oezkaynak, Haluk; Isakov, Vlad; Baxter, Lisa] US EPA, ORD, NERL, Res Triangle Pk, NC 27711 USA.
[Graham, Stephen E.] US EPA OAR OAQPS, Res Triangle Pk, NC USA.
[Sarnat, Stefanie Ebert; Sarnat, Jeremy A.] Emory Univ, Atlanta, GA USA.
[Mulholland, James] Georgia Inst Technol, Atlanta, GA USA.
[Turpin, Barbara] Rutgers State Univ, New Brunswick, NJ USA.
[Rich, David Q.] Univ Rochester, Sch Med & Dent, Rochester, NY USA.
[Lunden, Melissa] Lawrence Berkeley Natl Lab, Berkeley, CA USA.
RP Ozkaynak, H (reprint author), US EPA, ORD, NERL, Res Triangle Pk, NC 27711 USA.
EM ozkaynak.haluk@epa.gov
NR 7
TC 1
Z9 1
U1 1
U2 13
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 1871-4668
BN 978-94-007-5576-5; 978-94-007-5577-2
J9 NATO SCI PEACE SECUR
JI NATO Sci. Peace Secur. Ser. C- Environ. Secur.
PY 2014
BP 65
EP 71
DI 10.1007/978-94-007-5577-2_11
PG 7
WC Geochemistry & Geophysics; Public, Environmental & Occupational Health;
Meteorology & Atmospheric Sciences
SC Geochemistry & Geophysics; Public, Environmental & Occupational Health;
Meteorology & Atmospheric Sciences
GA BA9HI
UT WOS:000339389900011
ER
PT S
AU Syrakov, D
Prodanova, M
Galmarini, S
Solazzo, E
Bianconi, R
Bellasio, R
Jones, A
Buckley, R
Potemski, S
Maret, M
AF Syrakov, Dimiter
Prodanova, Maria
Galmarini, Stefano
Solazzo, Efisio
Bianconi, Roberto
Bellasio, Roberto
Jones, Andrew
Buckley, Robert
Potemski, Slavomir
Maret, Maud
BE Steyn, DG
Builtjes, PJH
Timmermans, RMA
TI Ensemble Modeling of Air Pollution Due to April 2010 Island Volcano
Eruption
SO AIR POLLUTION MODELING AND ITS APPLICATION XXII
SE NATO Science for Peace and Security Series C-Environmental Security
LA English
DT Proceedings Paper
CT 32nd NATO/SPS International Technical Meeting on Air Pollution Modeling
and its Application
CY MAY 07-11, 2012
CL Utrecht, NETHERLANDS
SP N Atlantic Treaty Org Sci Peace & Secur, TNO, VVM, Univ British Columbia, Earth, Environm & Life Sci, Univ British Columbia, Space Sci, Environm Canada, European Assoc Sci Air Pollut
DE Ensemble modelling; Volcanic eruption
AB The eruption of Island volcano in April 2010 caused enormously big troubles for air transport over Europe for a long period of time. The losses and inconveniences for air companies, common business and usual passengers are difficult to be estimated but in any case are rather considerable. The insights from this extraordinary event are that serious efforts must be put in studding not only the volcanic events but in creating tools for reliable forecast of volcano products (mainly ash) distribution in case of eruption. There are few centers devoted to observation and forecast of such events. Some meteorological services lately created respective systems. The ENSEMBLE consortium leaded by European JRC in Ispra, Italy, which is aimed at elaborating ensemble forecast on the base of individual forecasts of almost all European Early Warning Systems (EWS) in case of nuclear accident decided to launch a series of exercises devoted to simulation of the first week air pollution dilution caused by Island volcano eruption. Bulgarian ERS (BERS) was upgraded as to be able to take part in these exercises and its results and comparisons with other model results are the object of this work.
C1 [Syrakov, Dimiter; Prodanova, Maria] Bulgarian Acad Sci, Natl Inst Meteorol & Hydrol, 66 Tzarigradsko Chausee, BU-1784 Sofia, Bulgaria.
[Galmarini, Stefano; Solazzo, Efisio] European Commiss DG Joint Res Ctr, Inst Environm & Sustainabil, I-21027 Ispra, VA, Italy.
[Bianconi, Roberto; Bellasio, Roberto] Enviroware srl C Dir Colleoni, I-120041 Agrate Brianza, Italy.
[Jones, Andrew] Met Off, Fitzroy, Vic, Australia.
[Buckley, Robert] Savannah River Natl Lab, Savannah, SC 29808 USA.
[Potemski, Slavomir] Inst Atom Energy, PL-05400 Otwock- Swierk, Poland.
[Maret, Maud] Meteo France, Dir Prod Serv Environ, F-31057 Toulouse, France.
RP Syrakov, D (reprint author), Bulgarian Acad Sci, Natl Inst Meteorol & Hydrol, 66 Tzarigradsko Chausee, BU-1784 Sofia, Bulgaria.
EM dimiter.syrakov@meteo.bg; maria.prodanova@meteo.bg;
efisio.solazzo@jrc.ec.europa.eu
NR 8
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 1871-4668
BN 978-94-007-5576-5; 978-94-007-5577-2
J9 NATO SCI PEACE SECUR
JI NATO Sci. Peace Secur. Ser. C- Environ. Secur.
PY 2014
BP 435
EP 440
DI 10.1007/978-94-007-5577-2_74
PG 6
WC Geochemistry & Geophysics; Public, Environmental & Occupational Health;
Meteorology & Atmospheric Sciences
SC Geochemistry & Geophysics; Public, Environmental & Occupational Health;
Meteorology & Atmospheric Sciences
GA BA9HI
UT WOS:000339389900073
ER
PT S
AU Heath, BS
Marshall, MJ
Laskin, J
AF Heath, Brandi S.
Marshall, Matthew J.
Laskin, Julia
BE Sun, L
Shou, W
TI The Characterization of Living Bacterial Colonies Using Nanospray
Desorption Electrospray Ionization Mass Spectrometry
SO ENGINEERING AND ANALYZING MULTICELLULAR SYSTEMS: METHODS AND PROTOCOLS
SE Methods in Molecular Biology
LA English
DT Article; Book Chapter
DE Microbial communities; Nanospray desorption electrospray ionization
(nano-DESI); High-resolution mass spectrometry; Metabolites
ID COMPLEX ORGANIC MIXTURES; TISSUE; POSTIONIZATION; METABOLITES;
SHEWANELLA; AEROSOLS; BIOFILMS; DATABASE; SYSTEMS
AB Nanospray desorption electrospray ionization (nano-DESI) coupled with high-resolution mass spectrometry (MS) and tandem mass spectrometry (MS/MS) enable detailed molecular characterization of living bacterial colonies directly from nutrient agar. The ability to detect molecular signatures of living microbial communities is important for investigating metabolic exchange between species without affecting the viability of the colonies. We describe the protocol for bacterial growth, sample preparation, ambient profiling, and data analysis of microbial communities using nano-DESI MS.
C1 [Heath, Brandi S.; Laskin, Julia] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
[Marshall, Matthew J.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
RP Heath, BS (reprint author), Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
OI Marshall, Matthew J/0000-0002-2402-8003; Laskin,
Julia/0000-0002-4533-9644
NR 31
TC 0
Z9 0
U1 1
U2 16
PU HUMANA PRESS INC
PI TOTOWA
PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA
SN 1064-3745
BN 978-1-4939-0554-6; 978-1-4939-0553-9
J9 METHODS MOL BIOL
JI Methods Mol. Biol.
PY 2014
VL 1151
BP 199
EP 208
DI 10.1007/978-1-4939-0554-6_14
D2 10.1007/978-1-4939-0554-6
PG 10
WC Biochemical Research Methods; Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA BA8TP
UT WOS:000338666100015
PM 24838888
ER
PT S
AU Kang, S
Kahan, S
Momeni, B
AF Kang, Seunghwa
Kahan, Simon
Momeni, Babak
BE Sun, L
Shou, W
TI Simulating Microbial Community Patterning Using Biocellion
SO ENGINEERING AND ANALYZING MULTICELLULAR SYSTEMS: METHODS AND PROTOCOLS
SE Methods in Molecular Biology
LA English
DT Article; Book Chapter
DE Discrete agent-based modeling; Partial differential equation; Adaptive
mesh refinement; High-performance computing; Cell system simulation
ID CELL-POPULATIONS
AB Mathematical modeling and computer simulation are important tools for understanding complex interactions between cells and their biotic and abiotic environment: similarities and differences between modeled and observed behavior provide the basis for hypothesis formation. Momeni et al. (Elife 2:e00230, 2013) investigated pattern formation in communities of yeast strains engaging in different types of ecological interactions, comparing the predictions of mathematical modeling, and simulation to actual patterns observed in wet-lab experiments. However, simulations of millions of cells in a three-dimensional community are extremely time consuming. One simulation run in MATLAB may take a week or longer, inhibiting exploration of the vast space of parameter combinations and assumptions. Improving the speed, scale, and accuracy of such simulations facilitates hypothesis formation and expedites discovery. Biocellion is a high-performance software framework for accelerating discrete agent-based simulation of biological systems with millions to trillions of cells. Simulations of comparable scale and accuracy to those taking a week of computer time using MATLAB require just hours using Biocellion on a multicore workstation. Biocellion further accelerates large scale, high resolution simulations using cluster computers by partitioning the work to run on multiple compute nodes. Biocellion targets computational biologists who have mathematical modeling backgrounds and basic C++ programming skills. This chapter describes the necessary steps to adapt the original Momeni et al.'s model to the Biocellion framework as a case study.
C1 [Kang, Seunghwa] Pacific NW Natl Lab, Seattle, WA 98109 USA.
[Kahan, Simon] Univ Washington, Northwest Inst Adv Comp, Seattle, WA 98195 USA.
[Momeni, Babak] Fred Hutchinson Canc Res Ctr, Div Basic Sci, Seattle, WA 98104 USA.
RP Kang, S (reprint author), Pacific NW Natl Lab, Seattle, WA 98109 USA.
NR 7
TC 6
Z9 6
U1 0
U2 0
PU HUMANA PRESS INC
PI TOTOWA
PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA
SN 1064-3745
BN 978-1-4939-0554-6; 978-1-4939-0553-9
J9 METHODS MOL BIOL
JI Methods Mol. Biol.
PY 2014
VL 1151
BP 233
EP 253
DI 10.1007/978-1-4939-0554-6_16
D2 10.1007/978-1-4939-0554-6
PG 21
WC Biochemical Research Methods; Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA BA8TP
UT WOS:000338666100017
PM 24838890
ER
PT S
AU Bhattarai, S
Neureuther, AR
Naulleau, PP
AF Bhattarai, Suchit
Neureuther, Andrew R.
Naulleau, Patrick P.
BE Wood, OR
Panning, EM
TI Limitations of Resist-Based Characterization of EUV Mask Surface
Roughness
SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY V
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Extreme Ultraviolet (EUV) Lithography V
CY FEB 24-27, 2014
CL San Jose, CA
SP SPIE, Rigaku Corp
DE stochastic resist model (SRM); chemically amplified resist; mask surface
roughness
ID LINE-EDGE ROUGHNESS; EXTREME-ULTRAVIOLET LITHOGRAPHY
AB The feasibility of wafer-plane measurements of EUV mask surface roughness has been analyzed through stochastic resist simulations at various defocus conditions, for mask surface roughness values ranging between 50 pm and 500 pm rms. With partial coherence of 0.5, NA of 0.25, defocus of 100 nm and mask surface roughness of 50 pm rms, 1.3% of the total resist LER is contributed by the mask surface roughness induced aerial image phase roughness, while 39.1% of the total LER contribution comes from the absorbed photon image. 31.4% of the LER contribution is from the acid image and 27.9% is attributable to the quencher image at the end of the PEB reaction/diffusion processes. For surface roughness values of interest ranging between 50 pm and 150 pm rms, partial coherence of 0.5 and 100 nm defocus, the sensitivity of wafer plane aerial image LER to mask surface roughness is 9.5 nm/nm-rms, while the resist LER sensitivity is 2.9 nm/nm-rms With hypothetical scaling of the resist parameters, the resist LER sensitivity to mask surface roughness increases to 6nm/nm-rms.
C1 [Bhattarai, Suchit; Neureuther, Andrew R.] Univ Calif Berkeley, Dept EECS, Berkeley, CA 94720 USA.
[Bhattarai, Suchit; Neureuther, Andrew R.; Naulleau, Patrick P.] Lawrence Berkeley Natl Lab, Ctr X Ray Optic, Berkeley, CA 94720 USA.
RP Bhattarai, S (reprint author), Univ Calif Berkeley, Dept EECS, Berkeley, CA 94720 USA.
FU IMPACT+ program; [DE- AC02- 05CH11231]
FX This research was supported by collaboration with the IMPACT+
program.This work was performed in part at Lawrence Berkeley National
Laboratory which is operated under the auspices of the Director, Office
of Science, of the U. S. Department of Energy under Contract No. DE-
AC02- 05CH11231.
NR 9
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 978-0-8194-9971-4
J9 PROC SPIE
PY 2014
VL 9048
AR UNSP 904837
DI 10.1117/12.2048249
PG 8
WC Optics
SC Optics
GA BA9EX
UT WOS:000339325800088
ER
PT S
AU Bhattarai, S
Chao, WL
Neureuther, AR
Naulleau, PP
AF Bhattarai, Suchit
Chao, Weilun
Neureuther, Andrew R.
Naulleau, Patrick P.
BE Wood, OR
Panning, EM
TI Comparative Analysis of Shot Noise in EUV and E-Beam Lithography
SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY V
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Extreme Ultraviolet (EUV) Lithography V
CY FEB 24-27, 2014
CL San Jose, CA
SP SPIE, Rigaku Corp
DE gray-scale lithography; 100 keV e-beam; EUV; chemically amplified
resist; shot noise; LER
AB Gray-scale e-beam lithography has been performed to match the EUV and e-beam aerial image log slope for studying shot noise fundamentals in the two mechanisms through line-edge roughness (LER) measurements for 50 nm lines and spaces patterned on a leading chemically amplified EUV resist. The measured e-beam exposure latitude decreased from 0.4 with binary patterning to 0.28 with gray-scale e-beam exposure designed to match the EUV incident image profile, closely matching the EUV exposure latitude of 0.26. Calculations of absorption statistics with EUV and e-beam suggest that the shot noise with e-beam patterning is expected to be 10% larger than the shot noise with EUV patterning. However, despite the matched image gradients and close to identical absorbed quanta predictions, the e-beam patterned LER is 2.5x larger than the EUV patterned LER.
C1 [Bhattarai, Suchit; Neureuther, Andrew R.] Univ Calif Berkeley, Dept EECS, Berkeley, CA 94720 USA.
[Bhattarai, Suchit; Chao, Weilun; Neureuther, Andrew R.; Naulleau, Patrick P.] Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA.
RP Bhattarai, S (reprint author), Univ Calif Berkeley, Dept EECS, Berkeley, CA 94720 USA.
FU SEMATECH; IMPACT+ program; U. S. Department of Energy
[DE-AC02-05CH11231]
FX The SEMATECH Berkeley MET is funded by SEMATECH with special thanks to
Stefan Wurm and Kevin Cummings for programmatic support. This research
was supported by collaboration with the IMPACT+ program. This work was
performed in part at Lawrence Berkeley National Laboratory which is
operated under the auspices of the Director, Office of Science, of the
U. S. Department of Energy under Contract No. DE-AC02-05CH11231.
NR 5
TC 0
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 978-0-8194-9971-4
J9 PROC SPIE
PY 2014
VL 9048
AR UNSP 90481H
DI 10.1117/12.2048248
PG 11
WC Optics
SC Optics
GA BA9EX
UT WOS:000339325800043
ER
PT S
AU Cummings, K
Ashworth, D
Bremer, M
Chin, R
Fan, YJ
Girard, L
Glatzel, H
Goldstein, M
Gullikson, E
Kennon, J
Kestner, B
Marchetti, L
Naulleau, P
Soufli, R
Bauer, J
Mengel, M
Welker, J
Grupp, M
Sohmen, E
Wurm, S
AF Cummings, Kevin
Ashworth, Dominic
Bremer, Mark
Chin, Rodney
Fan, Yu-Jen
Girard, Luc
Glatzel, Holger
Goldstein, Michael
Gullikson, Eric
Kennon, Jim
Kestner, Bob
Marchetti, Lou
Naulleau, Patrick
Soufli, Regina
Bauer, Johannes
Mengel, Markus
Welker, Joachim
Grupp, Michael
Sohmen, Erik
Wurm, Stefan
BE Wood, OR
Panning, EM
TI Update on the SEMATECH 0.5 NA Extreme Ultraviolet Lithography (EUVL)
Microfield Exposure Tool (MET)
SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY V
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Extreme Ultraviolet (EUV) Lithography V
CY FEB 24-27, 2014
CL San Jose, CA
SP SPIE, Rigaku Corp
DE EUVL; extreme ultraviolet lithography; high NA
AB In support of the Extreme Ultraviolet Lithography (EUVL) roadmap, a SEMATECH/CNSE joint program is underway to produce multiple EUVL (wavelength of 13.5 nm) R&D photolithography tools. The 0.5 NA projection optic magnification (5X), track length and mechanical interfaces match the currently installed 0.3 NA micro-field exposure tools (MET) projection optic [1] [2] [3]. Therefore, significant changes to the current tool platforms and other adjacent modules are not necessary. However, many of the existing systems do need upgrades to achieve the anticipated smaller exposure feature sizes [4]. To date we have made considerable progress in the production of the first of the two-mirror 0.5 NA projection optics for EUVL [5]. With a measured transmitted wavefront error of less than 1 nm root mean square (RMS) over its 30 mu m x 200 mu m image field, lithography modeling shows that a predicted resolution of <= 12 nm and an ultimate resolution of 8 nm (with extreme dipole illumination) will be possible.
This paper will present an update from the 0.5 NA EUVL program. We will detail the more significant activities that are being undertaken to upgrade the MET and discuss expected performance.
C1 [Cummings, Kevin; Ashworth, Dominic; Fan, Yu-Jen; Goldstein, Michael; Wurm, Stefan] SEMATECH, Albany, NY 12203 USA.
[Bremer, Mark; Chin, Rodney; Girard, Luc; Glatzel, Holger; Kennon, Jim; Kestner, Bob; Marchetti, Lou] Zygo Corp, Extreme Precis Opt EPO, Richmond, CA 94806 USA.
[Gullikson, Eric; Naulleau, Patrick] Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA.
[Soufli, Regina] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Bauer, Johannes; Mengel, Markus; Welker, Joachim; Grupp, Michael; Sohmen, Erik] Carl Zeiss, Oberkochen, Germany.
RP Cummings, K (reprint author), SEMATECH, Albany, NY 12203 USA.
EM Kevin.Cummings@SEMATECH.org
NR 12
TC 4
Z9 4
U1 1
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9971-4
J9 PROC SPIE
PY 2014
VL 9048
AR UNSP 90481M
DI 10.1117/12.2046380
PG 9
WC Optics
SC Optics
GA BA9EX
UT WOS:000339325800048
ER
PT S
AU Glatzel, H
Ashworth, D
Bajuk, D
Bjork, M
Bremer, M
Cordier, M
Cummings, K
Girard, L
Goldstein, M
Gullikson, E
Hardy, S
Hudyma, R
Kennon, J
Kestner, R
Marchetti, L
Nouri, K
Naulleau, P
Pierce, D
Soufli, R
Spiller, E
Verma, Y
AF Glatzel, Holger
Ashworth, Dominic
Bajuk, Dan
Bjork, Matt
Bremer, Mark
Cordier, Mark
Cummings, Kevin
Girard, Luc
Goldstein, Michael
Gullikson, Eric
Hardy, Samuel
Hudyma, Russ
Kennon, James
Kestner, Robert
Marchetti, Lou
Nouri, Keyvan
Naulleau, Patrick
Pierce, Daniel
Soufli, Regina
Spiller, Eberhard
Verma, Yogesh
BE Wood, OR
Panning, EM
TI Projection Optics for EUVL Micro-field Exposure Tools with 0.5 NA
SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY V
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Extreme Ultraviolet (EUV) Lithography V
CY FEB 24-27, 2014
CL San Jose, CA
SP SPIE, Rigaku Corp
DE EUVL; lithography; aberrations; module assembly; projection optics;
wavefront metrology; optics fabrication
ID EXTREME-ULTRAVIOLET LITHOGRAPHY; FABRICATION; TECHNOLOGY; METROLOGY
AB In last year's report [1], we discussed the design and requirements of the optical projection module (Projection Optics Box [POB]) for the 0.5-NA Micro-field Exposure Tool (MET5) and the resulting challenges. Over the course of this past year, we have completed and fully qualified the metrology of individual mirrors. All surface figure errors have been measured over seven orders of magnitude with spatial periods ranging from the full clear aperture down to 10 nm. The reproducibility of the full aperture tests measures 16 pm RMS for the M1 test and 17 pm for the M2 test with a target of 30 pm for both tests. Furthermore, we achieved excellent results on scatter and flare: For scatter, both mirrors perform about a factor of two below specification. For flare, the larger M2 mirror performs well within and the smaller M1 mirror about a factor of two below specification. In addition, we have developed processes for correcting surface figure errors for both mirrors and have successfully demonstrated high-reflectivity coatings on pathfinder mirrors. Further, we have achieved significant goals with respect to the design, assembly, metrology and alignment of the projection module. This paper reviews this progress and describes the next step in the ambitious MET5 POB development program.
C1 [Glatzel, Holger; Bajuk, Dan; Bjork, Matt; Bremer, Mark; Cordier, Mark; Girard, Luc; Hardy, Samuel; Kennon, James; Kestner, Robert; Marchetti, Lou; Nouri, Keyvan; Pierce, Daniel; Verma, Yogesh] Zygo Corp, Extreme Precis Opt, Richmond, CA 94806 USA.
[Ashworth, Dominic; Cummings, Kevin; Goldstein, Michael] SEMATECH, Albany, NY 12203 USA.
[Gullikson, Eric; Naulleau, Patrick] Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA.
[Hudyma, Russ] Hyper Dev, San Ramon, CA 94582 USA.
[Soufli, Regina] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Spiller, Eberhard] Spiller Xray Opt, Livermore, CA 94550 USA.
RP Glatzel, H (reprint author), Zygo Corp, Extreme Precis Opt, Richmond, CA 94806 USA.
EM HGlatzel@Zygo.com
FU U. S. Department of Energy [DE-AC52-07NA27344, DE-AC02-05CH11231]
FX The coating development was performed under the auspices of the U. S.
Department of Energy by Lawrence Livermore National Laboratory under
Contract DE-AC52-07NA27344. EUV metrology work to support the coating
development was performed under the auspices of the U. S. Department of
Energy at Lawrence Berkeley National Laboratory under Contract
DE-AC02-05CH11231.
NR 23
TC 3
Z9 3
U1 0
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9971-4
J9 PROC SPIE
PY 2014
VL 9048
AR UNSP 90481K
DI 10.1117/12.2048643
PG 15
WC Optics
SC Optics
GA BA9EX
UT WOS:000339325800046
ER
PT S
AU Goldberg, KA
Benk, MP
Wojdyla, A
Mochi, I
Rekawa, SB
Allezy, AP
Dickinson, MR
Cork, CW
Chao, WL
Zehm, DJ
Macdougall, JB
Naulleau, PP
Rudack, A
AF Goldberg, Kenneth A.
Benk, Markus P.
Wojdyla, Antoine
Mochi, Iacopo
Rekawa, Senajith B.
Allezy, Arnaud P.
Dickinson, Michael R.
Cork, Carl W.
Chao, Weilun
Zehm, Daniel J.
Macdougall, James B.
Naulleau, Patrick P.
Rudack, Anne
BE Wood, OR
Panning, EM
TI Actinic mask imaging: Recent results and future directions from the
SHARP EUV Microscope
SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY V
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Extreme Ultraviolet (EUV) Lithography V
CY FEB 24-27, 2014
CL San Jose, CA
SP SPIE, Rigaku Corp
DE extreme ultraviolet; EUV; mask; microscope; coherence; zoneplate;
imaging
AB The SEMATECH High Numerical Aperture Actinic Reticle Review Project (SHARP) is a synchrotron-based extreme ultraviolet (EUV) microscope dedicated to photomask research. SHARP has been operational and serving users since June, 2013, and in eight months, SHARP has recorded over 71,000 high-resolution images. Exposure times are 5 to 8 seconds, and 8 or more through-focus series can be collected per hour at positions spanning the entire mask surface. SHARP's lossless coherence-control illuminator and variable numerical aperture (NA) enable researchers to emulate the imaging properties of both current and future EUV lithography tools. SHARP's performance continues to improve over time due to tool learning and upgraded capabilities, described here. Within a centered, 3-mu m square image region, we demonstrate an illumination power stability above 99%, and an average uniformity of 98.4%. Demonstrations of through-focus imaging with various illumination coherence settings highlight the capabilities of SHARP.
C1 [Goldberg, Kenneth A.; Benk, Markus P.; Wojdyla, Antoine; Mochi, Iacopo; Rekawa, Senajith B.; Allezy, Arnaud P.; Dickinson, Michael R.; Cork, Carl W.; Chao, Weilun; Zehm, Daniel J.; Macdougall, James B.; Naulleau, Patrick P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Rudack, Anne] SEMATECH, 257 Fuller Rd Suite 2200, Albany, NY 12203 USA.
RP Goldberg, KA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
FU SEMATECH; University of California Lawrence Berkeley National
Laboratory; U. S. Department of Energy [DE- AC02- 05CH11231]
FX This work is funded by SEMATECH, and performed by University of
California Lawrence Berkeley National Laboratory under the auspices of
the U. S. Department of Energy, Contract No. DE- AC02- 05CH11231. The
authors gratefully acknowledge the support of SEMATECH project leaders
and managers, David Chan, Andy Ma, Chihcheng Lin, Bryan Rice, Frank
Goodwin, Stefan Wurm, and Kevin Cummings. QUASART is a trademark of
ASML, Netherlands.
NR 7
TC 11
Z9 11
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9971-4
J9 PROC SPIE
PY 2014
VL 9048
AR UNSP 90480Y
DI 10.1117/12.2048364
PG 10
WC Optics
SC Optics
GA BA9EX
UT WOS:000339325800029
ER
PT S
AU Gonzalez, CM
Slingenbergh, W
Timilsina, R
Noh, JH
Stanford, MG
Lewis, BB
Klein, KL
Liang, T
Fowlkes, JD
Rack, PD
AF Gonzalez, C. M.
Slingenbergh, W.
Timilsina, R.
Noh, J. -H.
Stanford, M. G.
Lewis, B. B.
Klein, K. L.
Liang, T.
Fowlkes, J. D.
Rack, P. D.
BE Wood, OR
Panning, EM
TI Evaluation of Mask Repair Strategies Via Focused Electron, Helium and
Neon Beam Induced Processing for EUV Applications
SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY V
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Extreme Ultraviolet (EUV) Lithography V
CY FEB 24-27, 2014
CL San Jose, CA
SP SPIE, Rigaku Corp
DE Mask repair; Focused electron and ion beam induced processing; Helium
ion microscope
ID EXTREME-ULTRAVIOLET; MULTILAYER MIRRORS
AB One critical area for EUV lithography is the development of appropriate mask repair strategies. To this end, we have explored etching repair strategies for nickel absorber layers and focused electron beam induced deposition of ruthenium capping layers. Nickel has higher EUV absorption than the standard TaN absorber layer and thus thinner films and improved optical quality can be realized. A thin (2.5 nm) ruthenium film is commonly used as a protective capping layer on the Mo-Si EUV multi-layer mirror which mechanically and chemically protects the multi-layers during standard mask-making procedures. The gas field ion (GFIS) microscope was used to investigate helium and neon ion beam induced etching (IBIE) of nickel as a candidate technique for EUV lithography mask editing. No discernable nickel etching was observed for helium, however transmission electron microscopy (TEM) revealed subsurface damage to the underlying Mo-Si multilayers. Subsequently, neon beam induced etching at 30 keV was investigated and successfully removed the 50 nm nickel absorber film. TEM imaging also revealed subsurface damage in the underlying Mo-Si multilayer. Two damage regimes were apparent, namely: 1) beam induced mixing of the Mo-Si layers and 2) nanobubble formation. Monte Carlo simulations were performed and the observed damage regimes were correlated to: 1) the nuclear energy loss and 2) a critical implant concentration. Electron beam induced deposition (EBID) was explored to deposit ruthenium capping/protective layers. Several ruthenium precursors were screened and so far liquid bis(ethylcyclopentyldienyl) ruthenium(II) was successful. The purity of the as-deposited nanodeposits was estimated to be 10% Ru and 90% C. We demonstrate a new chemically assisted electron beam purification process to remove carbon by-products and show that high-fidelity nanoscale ruthenium repairs can be realized.
C1 [Gonzalez, C. M.; Timilsina, R.; Noh, J. -H.; Stanford, M. G.; Lewis, B. B.; Rack, P. D.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Slingenbergh, W.] Univ Groningen, Groningen, Netherlands.
[Klein, K. L.] Univ Dist Columbia, Washington, DC USA.
[Liang, T.] Intel Corp, Santa Clara, CA USA.
[Fowlkes, J. D.; Rack, P. D.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Gonzalez, CM (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
OI Rack, Philip/0000-0002-9964-3254
FU Intel Corporation for funding this project via the Semiconductor
Research Corporation
FX The authors acknowledge Dr. Eric Gullikson of Center for X- ray Optics
for providing the Ni samples, and PDR acknowledges Intel Corporation for
funding this project via the Semiconductor Research Corporation.
NR 21
TC 4
Z9 4
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 978-0-8194-9971-4
J9 PROC SPIE
PY 2014
VL 9048
AR UNSP 90480M
DI 10.1117/12.2046712
PG 7
WC Optics
SC Optics
GA BA9EX
UT WOS:000339325800017
ER
PT S
AU Miyakawa, R
Zhou, XB
Goldstein, M
Ashworth, D
Cummings, K
Fan, YJ
Shroff, Y
Denbeaux, G
Kandel, Y
Naulleau, P
AF Miyakawa, Ryan
Zhou, Xibin
Goldstein, Michael
Ashworth, Dominic
Cummings, Kevin
Fan, Yu-Jen
Shroff, Yashesh
Denbeaux, Gregory
Kandel, Yudhi
Naulleau, Patrick
BE Wood, OR
Panning, EM
TI AIS wavefront sensor: a robust optical test of exposure tools using
localized wavefront curvature
SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY V
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Extreme Ultraviolet (EUV) Lithography V
CY FEB 24-27, 2014
CL San Jose, CA
SP SPIE, Rigaku Corp
DE optical testing; wavefront; aberration; in-situ; focus sensor
AB We present an update of the AIS wavefront sensor, a diagnostic sensor set for insertion in the upgraded 0.5 NA SEMATECH Albany and Berkeley METs. AIS works by using offset monopole illumination to probe localized regions of the test optic pupil. Variations in curvature manifest as focus shifts, which are measured using a photodiode-based grating-on-grating contrast monitor, and the wavefront aberrations are reconstructed using a least-squares approach. We present results from an optical prototype of AIS demonstrating an accuracy of better than lambda/30 rms for Zernike polynomials Z(4) through Z(10). We also discuss integration strategies and requirements as well as specifications on system alignment.
C1 [Miyakawa, Ryan; Naulleau, Patrick] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Zhou, Xibin; Goldstein, Michael; Ashworth, Dominic; Cummings, Kevin; Fan, Yu-Jen] SEMATECH, Albany, NY 12203 USA.
[Goldstein, Michael; Shroff, Yashesh] Intel, Santa Clara, CA 95054 USA.
[Denbeaux, Gregory; Kandel, Yudhi] Univ Albany, Coll Nanoscale & Engn, Albany, NY 12203 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
FU SEMATECH through U.S. Department of energy [DE-AC02-05CH11231]
FX supported by SEMATECH through U.S. Department of energy under no.
DE-AC02-05CH11231.
NR 4
TC 0
Z9 0
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9971-4
J9 PROC SPIE
PY 2014
VL 9048
AR UNSP 90483A
DI 10.1117/12.2048389
PG 7
WC Optics
SC Optics
GA BA9EX
UT WOS:000339325800091
ER
PT S
AU Wang, YG
Miyakawa, R
Neureuther, A
Naulleau, P
AF Wang, Yow-Gwo
Miyakawa, Ryan
Neureuther, Andy
Naulleau, Patrick
BE Wood, OR
Panning, EM
TI Zernike Phase Contrast Microscope for EUV mask inspection
SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY V
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Extreme Ultraviolet (EUV) Lithography V
CY FEB 24-27, 2014
CL San Jose, CA
SP SPIE, Rigaku Corp
DE EUV Mask; Zernike Phase Contrast Microscope; Phase Defect; Mask
Inspection
ID X-RAY MICROSCOPY
AB In this paper, we address a new inspection method which provides in-focus inspection capability and higher defect sensitivity compared with conventional mask inspection methods. In the Zernike phase contrast microscope, an added phase shift to background wave combines with the phase of bump and pit defects to achieve higher contrast at focus. If we use a centralized apodization to half the lens radius to further reduce the intensity of the phase-shifted background wave, the signal strength can be improved up to 6-fold of its original value. Simulation results further show that this apodization for a typical EUV mask power spectral density results in the noise decreasing in absolute level similar to the clear field reference signal. Thus large improvements in signal to noise ratios are possible with the Zernike phase contrast microscope type systems for EUV mask inspection applications.
C1 [Wang, Yow-Gwo; Miyakawa, Ryan; Neureuther, Andy; Naulleau, Patrick] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA.
RP Wang, YG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA.
NR 5
TC 7
Z9 7
U1 0
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9971-4
J9 PROC SPIE
PY 2014
VL 9048
AR 904810
DI 10.1117/12.2048180
PG 8
WC Optics
SC Optics
GA BA9EX
UT WOS:000339325800031
ER
PT S
AU Wojdyla, A
Miyakawa, R
Naulleau, P
AF Wojdyla, Antoine
Miyakawa, Ryan
Naulleau, Patrick
BE Wood, OR
Panning, EM
TI Ptychographic wavefront sensor for high-NA EUV inspection and exposure
tools
SO EXTREME ULTRAVIOLET (EUV) LITHOGRAPHY V
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Extreme Ultraviolet (EUV) Lithography V
CY FEB 24-27, 2014
CL San Jose, CA
SP SPIE, Rigaku Corp
AB We present optics where a novel approach for wavefront sensing based on scanning diffraction imaging suitable for high-NA inspection, where common metrology techniques show limitations. This approach employs ptychography, a well-characterized object is scanned at the focus of the aberrated test optic; and the resulting scattered light is captureci on a CCD. Under the Fresnel approximation; the diffraction patterns are processed in an iterative algorithm to reconstruct the test optic aberrations. We discuss the applicability of this wavefront metrology, present numerical simulations that validate the reconstruction, and show first experimental results from an optical prototype.
C1 [Wojdyla, Antoine; Miyakawa, Ryan; Naulleau, Patrick] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Wojdyla, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
NR 9
TC 1
Z9 1
U1 0
U2 3
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9971-4
J9 PROC SPIE
PY 2014
VL 9048
AR 904839
DI 10.1117/12.2048386
PG 5
WC Optics
SC Optics
GA BA9EX
UT WOS:000339325800090
ER
PT S
AU Garzon, F
Kreller, C
Wilson, M
Mukundan, R
Pham, H
Henson, N
Hartl, M
Daemen, L
AF Garzon, Fernando
Kreller, Cortney
Wilson, Mahlon
Mukundan, Randachary
Hieu Pham
Henson, Neil
Hartl, Monika
Daemen, Luke
BE Mogensen, MB
Gur, TM
Zhou, XD
Armstrong, T
Kawada, T
Manivannan, A
TI Proton Conduction in Inorganic Phosphates
SO IONIC AND MIXED CONDUCTING CERAMICS 9
SE ECS Transactions
LA English
DT Proceedings Paper
CT Symposium on Ionic and Mixed Conducting Ceramics held during the 225th
Meeting of the Electrochemical-Society (ECS)
CY MAY 11-15, 2014
CL Orlando, FL
SP Electrochem Soc, High Temp Mat Div, Energy Technol Div
ID TEMPERATURE FUEL-CELLS; IN3+-DOPED SNP2O7; POLYPHOSPHATE; ELECTROLYTES;
PHOSPHORUS
AB The proton conduction mechanism of well-characterized SnP2O7 and Sn1-xInxP2O7 materials was investigated using AC impedance spectroscopy and inelastic neutron scattering. Samples with minimal amounts of excess polyphosphate do not possess appreciable conductivity at room temperature. Indium doping appears to increase the high temperature proton conductivity of the materials. Inelastic neutron scattering data indicates that no appreciable changes in proton concentration occur between hydrated and dehydrated samples of SnP2O7 while changes in proton vibrational mode amplitudes occur with indium doping, or upon hydration, of samples that contain excess phosphate.
C1 [Garzon, Fernando; Kreller, Cortney; Wilson, Mahlon; Mukundan, Randachary] Los Alamos Natl Lab, Mat Phys & Applicat Div, MPA 11, POB 1663, Los Alamos, NM 87545 USA.
[Hieu Pham] Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.
[Henson, Neil] Los Alamos Natl Lab, Theoret Div T1, Los Alamos, NM 87545 USA.
[Hartl, Monika; Daemen, Luke] Los Alamos Neutron Scattering Ctr, Los Alamos Natl Lab, LANSCE, Los Alamos, NM 87545 USA.
RP Garzon, F (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, MPA 11, POB 1663, Los Alamos, NM 87545 USA.
RI Hartl, Monika/N-4586-2016;
OI Hartl, Monika/0000-0002-6601-7273; Kreller, Cortney/0000-0003-2180-2494;
Henson, Neil/0000-0002-1842-7884; Wilson, Mahlon/0000-0002-5944-2650;
Mukundan, Rangachary/0000-0002-5679-3930
FU Los Alamos Laboratory Directed Research and Development program - US
Department of Energy; U.S. Department of Energy's Office of Basic Energy
Sciences; DOE [DE-AC52-06NA25396]
FX The authors acknowledge the financial support of the Los Alamos
Laboratory Directed Research and Development program funded by the US
Department of Energy. This work has benefited from the use of the Manuel
Lujan, Jr. Neutron Scattering Center at Los Alamos National Laboratory
and funding from the U.S. Department of Energy's Office of Basic Energy
Sciences. Los Alamos National Laboratory is operated by Los Alamos
National Security LLC under DOE Contract DE-AC52-06NA25396.
NR 21
TC 0
Z9 0
U1 2
U2 9
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA
SN 1938-5862
BN 978-1-60768-516-6
J9 ECS TRANSACTIONS
PY 2014
VL 61
IS 1
BP 159
EP +
DI 10.1149/06101.0159ecst
PG 2
WC Electrochemistry; Materials Science, Ceramics; Materials Science,
Multidisciplinary
SC Electrochemistry; Materials Science
GA BA9GZ
UT WOS:000339378600016
ER
PT J
AU Zhang, PF
Qiao, ZA
Zhang, ZY
Wan, S
Dai, S
AF Zhang, Pengfei
Qiao, Zhen-An
Zhang, Zhiyong
Wan, Shun
Dai, Sheng
TI Mesoporous graphene-like carbon sheet: high-power supercapacitor and
outstanding catalyst support
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID ACTIVATED CARBONS; OXYGEN REDUCTION; DOPED CARBON; CAPACITANCE;
ELECTRODES; OXIDATION; GLUCOSE
AB Nowadays, continuous scientific endeavors are being directed toward low-cost, mild, scalable and reliable synthesis of graphene-based materials, in order to advance various graphene-related applications. So far, specific surface areas of current bulk graphene powders or graphene-like nanosheets are much lower than the theoretical value (2630 m(2) g(-1)) of individual graphene, remaining a challenge for carbon chemists. Herein, mesoporous graphene-like carbon sheets with high specific surface area (up to 2607 m(2) g(-1)) and high pore volume (up to 3.12 cm(3) g(-1)) were synthesized by using polyimide chemistry in the molten salt "solvent." In this process, abundant pyromellitic dianhydride and aromatic diamine undergo polycondensation together with further carbonization in molten KCl-ZnCl2, in which in situ formed linear aromatic polyimide with a sp(2) hybridized carbon skeleton could be directly coupled and rearranged into a two-dimensional graphene-like nanosheet around the "salt scaffold". Carbon nanosheets with well-defined mesopores (similar to 3.5 nm) could be easily obtained by washing salt melts in water, while the salts could be recovered and reused for the subsequent reaction. The nitrogen atoms in amine also afforded the resulting carbon with uniform foreign atoms (nitrogen content - similar to 6%). Moreover, holey carbon sheets with well-dispersed and through-plane nanoholes (diameter: 5-10 nm) could be constructed by using different monomers. Being a potential electrode material in supercapacitors, the as-made carbon nanosheet possessed a significant specific capacitance (131.4-275.5 F g(-1)) even at a scan rate of 2000 mV s(-1). Additionally, powerful nanohybrids of carbon sheet-Co3O4 were also prepared with good performance in the aerobic oxidation of alcohols and amines to aldehydes and imines, respectively.
C1 [Zhang, Pengfei; Qiao, Zhen-An; Zhang, Zhiyong; Wan, Shun; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
RP Zhang, PF (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM chemistryzpf@163.com; dais@ornl.gov
RI Mohd Jasni, Mohamad Redwani/E-7555-2015; Zhang, Pengfei/I-5484-2013;
Zhang, Zhiyong/H-5611-2012; Dai, Sheng/K-8411-2015;
OI Mohd Jasni, Mohamad Redwani/0000-0003-4036-4856; Zhang,
Zhiyong/0000-0001-7936-9510; Dai, Sheng/0000-0002-8046-3931; Qiao,
Zhen-An/0000-0001-6064-9360
FU Fluid Interface Reactions, Structures and Transport (FIRST) Center, an
Energy Frontier Research Center - US Department of Energy, Office of
Science, Office of Basic Energy Sciences [ERKCC61]; Division of Chemical
Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences,
US Department of Energy
FX P. Zhang, Z. Zhang, and S. Dai. were supported as part of the Fluid
Interface Reactions, Structures and Transport (FIRST) Center, an Energy
Frontier Research Center funded by the US Department of Energy, Office
of Science, Office of Basic Energy Sciences under Award Number ERKCC61.
The catalysis research (Z. Qiao) was sponsored by Division of Chemical
Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences,
US Department of Energy.
NR 36
TC 19
Z9 19
U1 32
U2 200
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 2014
VL 2
IS 31
BP 12262
EP 12269
DI 10.1039/c4ta02307b
PG 8
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA AM1RJ
UT WOS:000339625500020
ER
PT J
AU Clarke, TM
Peet, J
Lungenschmied, C
Drolet, N
Lu, XH
Ocko, BM
Mozer, AJ
Loi, MA
AF Clarke, Tracey M.
Peet, Jeff
Lungenschmied, Christoph
Drolet, Nicolas
Lu, Xinhui
Ocko, Benjamin M.
Mozer, Attila J.
Loi, Maria Antonietta
TI The role of emissive charge transfer states in two polymer-fullerene
organic photovoltaic blends: tuning charge photogeneration through the
use of processing additives
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID TRANSIENT ABSORPTION-SPECTROSCOPY; REDUCED BIMOLECULAR RECOMBINATION;
HETEROJUNCTION SOLAR-CELLS; HOT EXCITON DISSOCIATION;
BULK-HETEROJUNCTIONS; POLYTHIOPHENE FILMS; SOLVENT ADDITIVES;
GENERATION; MORPHOLOGY; CARRIER
AB The role of charge transfer (CT) states in organic photovoltaic systems has been debated in the recent literature. In this paper the device performances of two structurally analogous polymers PDTSiTTz (also known as KP115) and PCPDTTTz blended with PCBM are investigated, focusing on the effect the processing additive diiodooctane (DIO) has on morphology, charge photogeneration, and, in particular, the CT state characteristics. While DIO has a considerable beneficial effect for PCPDTTTz: PCBM photovoltaic devices, negligible effects are observed for PDTSiTTz: PCBM devices. An emissive CT state able to be quenched by DIO was observed for PCPDTTTz: PCBM, despite relatively small morphological changes. This is only the second instance of CT state quenching by a processing additive to be reported. Formation of an emissive CT state is therefore a loss pathway for PCPDTTTz: PCBM, which can be alleviated through the use of DIO to increase the proportion of CT states that dissociate into free charges. Conversely, the CT state of PDTSiTTZ:PCBM is weak and short-lived, with the DIO having little effect. The CT state dissociates more efficiently for this higher crystallinity system, leading to less evidence of emissive CT state recombination, and high charge photogeneration yields and device efficiencies.
C1 [Clarke, Tracey M.; Mozer, Attila J.] Univ Wollongong, Intelligent Polymer Res Inst, ARC Ctr Excellence Electromat Sci, Wollongong, NSW 2500, Australia.
[Peet, Jeff; Lungenschmied, Christoph; Drolet, Nicolas] Konarka Technol, Lowell, MA 01852 USA.
[Lu, Xinhui; Ocko, Benjamin M.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
[Loi, Maria Antonietta] Univ Groningen, Zernike Inst Adv Mat, NL-9747 AG Groningen, Netherlands.
RP Clarke, TM (reprint author), Univ Wollongong, Intelligent Polymer Res Inst, ARC Ctr Excellence Electromat Sci, Wollongong, NSW 2500, Australia.
EM tclarke@uow.edu.au
RI Mozer, Attila/D-4944-2011; Loi, Maria Antonietta/H-8406-2016
OI Mozer, Attila/0000-0002-8500-606X; Loi, Maria
Antonietta/0000-0002-7985-7431
FU Australian Nanotechnology Network for an Overseas Travel Fellowship;
Australian Research Council; Konarka Technologies; AJM; TMC; Materials
Sciences and Engineering Division of the U.S. Department of Energy
[DE-AC02-98CH10886]; Foundation for Fundamental Research on Matter
(FOM), is part of the Netherlands Organization for Scientific Research
(NWO)
FX TMC would like to thank the Australian Nanotechnology Network for an
Overseas Travel Fellowship. This research was supported under the
Australian Research Council's Linkage Projects funding scheme and by
Konarka Technologies. AJM acknowledges the ARC for providing equipment
support through LIEF, as well as supporting AJM and TMC with an
Australian Research Fellowship and DECRA fellowship, respectively.
Research at Brookhaven National Laboratory (XL and BO) and the use of
the National Synchrotron Light Source is supported by the Materials
Sciences and Engineering Division of the U.S. Department of Energy
(Contract No. DE-AC02-98CH10886). MAL would like to thank the Foundation
for Fundamental Research on Matter (FOM), which is part of the
Netherlands Organization for Scientific Research (NWO), for granting the
FOM Focus Group 'Next Generation Organic Photovoltaics', participating
in the Dutch Institute for Fundamental Energy Research (DIFFER).
NR 63
TC 5
Z9 5
U1 4
U2 30
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
EI 2050-7496
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2014
VL 2
IS 31
BP 12583
EP 12593
DI 10.1039/c4ta02244k
PG 11
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA AM1RJ
UT WOS:000339625500057
ER
PT J
AU Zong, ZY
Kunnath, S
Monti, G
AF Zong, Zhiyu
Kunnath, Sashi
Monti, Giorgio
TI Material Model Incorporating Buckling of Reinforcing Bars in RC Columns
SO JOURNAL OF STRUCTURAL ENGINEERING
LA English
DT Article
DE Buckling; Concrete columns; Constitutive models; Nonlinear analysis;
Reinforcement; Concrete and masonry structures
ID CUMULATIVE SEISMIC DAMAGE; CIRCULAR BRIDGE COLUMNS; CONCRETE COLUMNS;
STRAIN; TESTS
AB An efficient material model was developed for reinforcing steel in reinforced concrete ( RC) columns that implicitly incorporates the degrading effects of bar-buckling. Utilizing the beam-on-springs model developed by the writers to characterize a buckling bar in a RC column, a comprehensive parametric study was performed to identify the effects of several important column parameters on the buckling behavior of the longitudinal reinforcement in RC columns. Features of average stress-strain curves of compressively loaded reinforcing bars are summarized. Constitutive relations as functions of critical column parameters were developed for direct use in fiber-section model-based nonlinear analysis of RC structures. Comparison of the numerically simulated global response of experimentally tested RC columns confirm the validity and utility of the proposed material model as a simple and effective way to include bar-buckling effects in inelastic analysis of RC frame structures. (C) 2013 American Society of Civil Engineers.
C1 [Zong, Zhiyu] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37830 USA.
[Kunnath, Sashi] Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA.
[Monti, Giorgio] Univ Roma La Sapienza, Sez Architettura, Dipartimento Ingn Strutturale & Geotecn, I-00197 Rome, Italy.
RP Kunnath, S (reprint author), Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA.
EM zzong@ucdavis.edu; skkunnath@ucdsvis.edu; giorgio.monti@uniroma1.it
RI Monti, Giorgio/C-9212-2009
OI Monti, Giorgio/0000-0002-5673-5706
FU Earthquake Engineering Research Centers Program of National Science
Foundation through Pacific Earthquake Engineering Research (PEER) Center
[EEC-9701568]
FX This paper was partially supported by the Earthquake Engineering
Research Centers Program of the National Science Foundation under award
number EEC-9701568 through the Pacific Earthquake Engineering Research
(PEER) Center. Any opinions, findings, and conclusion or recommendations
expressed in this material are those of the writers and do not
necessarily reflect those of the National Science Foundation.
NR 19
TC 2
Z9 2
U1 3
U2 25
PU ASCE-AMER SOC CIVIL ENGINEERS
PI RESTON
PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA
SN 0733-9445
EI 1943-541X
J9 J STRUCT ENG
JI J. Struct. Eng.
PD JAN
PY 2014
VL 140
IS 1
AR 04013032
DI 10.1061/(ASCE)ST.1943-541X.0000808
PG 10
WC Construction & Building Technology; Engineering, Civil
SC Construction & Building Technology; Engineering
GA AM1TA
UT WOS:000339630000010
ER
PT J
AU An, K
Barai, P
Smith, K
Mukherjee, PP
AF An, Kai
Barai, Pallab
Smith, Kandler
Mukherjee, Partha P.
TI Probing the Thermal Implications in Mechanical Degradation of
Lithium-Ion Battery Electrodes
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID STRESS GENERATION; ELECTROCHEMICAL SHOCK; FRACTURE-MECHANICS; GRAPHITE
ELECTRODE; CRACK-PROPAGATION; HEAT-GENERATION; MODEL; CELL; PARTICLES;
BEHAVIOR
AB In a lithium-ion cell, heat generation and temperature evolution during operation pose a significant bearing on the mechanical degradation and cell performance. The thermal implications on the electrode mechano-electrochemical behavior have been elucidated. Crack formation due to diffusion-induced stress in the active particles has been analyzed. Temperature dependence of the mechano-physicochemical parameters has been taken into account. Total amount of diffusion-induced damage has been estimated for different current density, ambient temperature and particle size. For subzero temperatures, adiabatic operation can boost the cell performance significantly. Increased mechanical degradation has been observed for high C-rate and larger particle sizes. Decreasing ambient temperature results in aggravated crack formation resulting in severe capacity loss. However, at subzero temperatures and under high C-rate conditions, significant concentration gradient exists near the active particle peripheral region resulting in reduced damage penetration. The cell performance analysis reveals that the impact of mechanical degradation on the capacity loss is most prominent at subzero temperatures. The effect of cycling shows accelerated damage in the first few cycles followed by a plateau in the damage evolution. Existence of a critical particle size for maximum damage has been suggested which depends significantly on the cell temperature. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [An, Kai; Barai, Pallab; Mukherjee, Partha P.] Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA.
[Smith, Kandler] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP An, K (reprint author), Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA.
EM pmukherjee@tamu.edu
FU Texas A&M University faculty research initiation grant
FX Financial support from Texas A&M University faculty research initiation
grant is gratefully acknowledged. Kai An and Pallab Barai both
contributed equally to this work.
NR 47
TC 12
Z9 12
U1 3
U2 23
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2014
VL 161
IS 6
BP A1058
EP A1070
DI 10.1149/2.069406jes
PG 13
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AM0BV
UT WOS:000339508600035
ER
PT J
AU Beck, FR
Cheng, YQ
Bi, ZH
Feygenson, M
Bridges, CA
Moorhead-Rosenberg, Z
Manthiram, A
Goodenough, JB
Paranthaman, MP
Manivannan, A
AF Beck, Faith R.
Cheng, Y. Q.
Bi, Zhonghe
Feygenson, Mikhail
Bridges, Craig A.
Moorhead-Rosenberg, Zachary
Manthiram, Arumugam
Goodenough, John B.
Paranthaman, M. Parans
Manivannan, Ayyakkannu
TI Neutron Diffraction and Electrochemical Studies of Na0.79CoO2 and
Na0.79Co0.7Mn0.3O2 Cathodes for Sodium-Ion Batteries
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID NA-BATTERIES; ELECTRODE; PERFORMANCE; INSERTION; NACOO2; GROWTH; NMR
AB Na0.79CoO2 and Na0.79Co0.7Mn0.3O2 with a layered hexagonal structure (P2-type) were synthesized by the Pechini process followed by heat-treatment at elevated temperatures in order to achieve the crystalline phases. The samples were characterized with X-ray diffraction, neutron diffraction, magnetic measurements and electrochemical charge-discharge cycling. X-ray diffraction confirmed the presence of P2 layered hexagonal structure after heat-treatment at 900 degrees C in air. Neutron diffraction patterns confirm Mn substitution on Co sites without forming pronounced Mn-Co ordering. Cyclic voltammetry showed the oxidation and reduction peaks of Co and Mn, indicating the intercalation and de-intercalation behavior of the Na ions. A discharge capacity of 60 mAh/g was achieved for both compositions, with the Na0.79Co0.70Mn0.3O2 composition showing a more stable discharge capacity up to 60 cycles. (C) 2014 The Electrochemical Society.
C1 [Beck, Faith R.; Manivannan, Ayyakkannu] US DOE, NETL, Morgantown, WV 26507 USA.
[Cheng, Y. Q.; Bi, Zhonghe; Feygenson, Mikhail; Bridges, Craig A.; Paranthaman, M. Parans] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Moorhead-Rosenberg, Zachary; Manthiram, Arumugam; Goodenough, John B.] Univ Texas Austin, Austin, TX 78712 USA.
[Manivannan, Ayyakkannu] W Virginia Univ, Phys Dept, Morgantown, WV 26506 USA.
[Manivannan, Ayyakkannu] W Virginia Univ, Dept Mech Engn, Morgantown, WV 26506 USA.
RP Beck, FR (reprint author), US DOE, NETL, Morgantown, WV 26507 USA.
EM manivana@netl.doe.gov
RI Feygenson, Mikhail /H-9972-2014; Paranthaman, Mariappan/N-3866-2015
OI Feygenson, Mikhail /0000-0002-0316-3265; Paranthaman,
Mariappan/0000-0003-3009-8531
FU U.S. Department of Energy, Office of Basic Energy Sciences, Materials
Sciences and Engineering Division; Scientific User Facilities Division,
Office of Basic Energy Sciences, and U.S. Department of Energy; National
Science Foundation Materials Interdisciplinary Research Team (MIRT)
grant [DMR-1122603]
FX Battery testing and neutron diffraction work at ORNL was sponsored by
the U.S. Department of Energy, Office of Basic Energy Sciences,
Materials Sciences and Engineering Division. Neutron diffraction work
was conducted at the SNS user facility, which is sponsored by the
Scientific User Facilities Division, Office of Basic Energy Sciences,
and U.S. Department of Energy. EERE BATT program is acknowledged for
synthesis work and battery testing at NETL. Magnetic measurements at the
University of Texas at Austin were supported by the National Science
Foundation Materials Interdisciplinary Research Team (MIRT) grant
DMR-1122603. FRB thank NETL/ORISE fellowship. Ms. Maria Abreu-Sepulveda
is acknowledged for plotting some of the data.
NR 33
TC 3
Z9 3
U1 14
U2 111
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 2014
VL 161
IS 6
BP A961
EP A967
DI 10.1149/2.025406jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AM0BV
UT WOS:000339508600020
ER
PT J
AU Hertzberg, B
Sviridov, L
Stach, EA
Gupta, T
Steingart, D
AF Hertzberg, Benjamin
Sviridov, Lev
Stach, Eric A.
Gupta, Tanya
Steingart, Daniel
TI A Manganese-Doped Barium Carbonate Cathode for Alkaline Batteries
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID DIOXIDE BATTERIES; MNO2; CELLS; RECHARGEABILITY; GAMMA-MNO2; SYSTEM;
ELECTROLYTE; IMPROVEMENT; COMPOSITES; DEPOSITION
AB MnO2-Zn alkaline batteries are one of the most common modern forms of primary battery, due to their relatively high energy density and low cost per kilowatt-hour. Additionally, unlike many other types of primary battery, alkaline cells can theoretically be recharged. Their low cost per kilowatt-hour makes them potentially ideal for applications such as sustainable energy storage or peak demand shaving. However, a phase transformation that occurs in MnO2 after reduction by more than one electron converts it into the electrochemically inactive Mn3O4 phase. This limits the total depth of discharge of the cell significantly. We report the synthesis of a novel electrode material, manganese-doped witherite, for rechargeable alkaline batteries produced by a simple hydrothermal process. The material has been studied via X-ray diffraction and electroanalytical techniques. We show that unaltered witherite has poor electrochemical properties, and that this new material has high capacity and rate capability, even under deep discharge conditions, superior to conventional manganese dioxide. (C) The Author(s) 2014. Published by ECS.
C1 [Hertzberg, Benjamin; Gupta, Tanya; Steingart, Daniel] Princeton Univ, Dept Mech & Aerosp Engn, Andlinger Ctr Energy & Environm, Princeton, NJ 08544 USA.
[Sviridov, Lev] CUNY Hunter Coll, Honors Coll Off, New York, NY 10065 USA.
[Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
RP Hertzberg, B (reprint author), Princeton Univ, Dept Mech & Aerosp Engn, Andlinger Ctr Energy & Environm, Princeton, NJ 08544 USA.
EM steingart@princeton.edu
RI Stach, Eric/D-8545-2011
OI Stach, Eric/0000-0002-3366-2153
FU NSF [CMMI 1031208]; DOE; DOE, Office of Basic Energy Sciences
[DE-AC02-98CH10886]
FX This work was made possible by the trust and stewardship of the NSF and
DOE. We thank Joshua Gallaway, Abhinav Gaikwad and Tal Sholklapper for
their advice and consultation, and Xiaobo He for his assistance in X-ray
photoelectron spectroscopy. Research carried out in part at the Center
for Functional Nanomaterials, Brookhaven National Laboratory, which is
supported by the DOE, Office of Basic Energy Sciences, under contract
DE-AC02-98CH10886. Tanya Gupta and Dan Steingart were partially
supported by NSF CMMI 1031208.
NR 32
TC 6
Z9 6
U1 1
U2 9
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 2014
VL 161
IS 6
BP A835
EP A840
DI 10.1149/2.083405jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AM0BV
UT WOS:000339508600001
ER
PT J
AU Karan, NK
Slater, MD
Dogan, F
Kim, D
Johnson, CS
Balasubramanian, M
AF Karan, Naba K.
Slater, Michael D.
Dogan, Fulya
Kim, Donghan
Johnson, Christopher S.
Balasubramanian, Mahalingam
TI Operando Structural Characterization of the Lithium-Substituted Layered
Sodium-Ion Cathode Material P2-Na0.85Li0.17Ni0.21Mn0.64O2 by X-ray
Absorption Spectroscopy
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID ELECTROCHEMICAL PROPERTIES; LOCAL-STRUCTURE; BATTERIES; NA; NMR; LI;
INTERCALATION; MANGANESE; BRONZES; P2-TYPE
AB Layered sodium-ion cathode material P2-Na0.85Li0.17Ni0.21Mn0.64O2 was investigated using operando XAS to characterize structural changes occurring in the material during electrochemical sodiation/desodiation. Based on XANES data, the primary mode of charge compensation in this material is due to Ni2-3/4+ redox activity, while the Mn remains in the +4 oxidation state, thereby providing stability to this material during extended cycling. Investigation of the initial state of the compound by high resolution synchrotron XRD and Li-6 MAS NMR revealed a significant amount of structural disorder due to integration of a small amount of monoclinic layered Li phase within the overall hexagonal layered Na-structure, which manifests as Li-induced stacking faults. High quality EXAFS data could be obtained using our cell construction and revealed the local structural evolution around the redox active Ni centers. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Karan, Naba K.; Balasubramanian, Mahalingam] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA.
[Slater, Michael D.; Dogan, Fulya; Kim, Donghan; Johnson, Christopher S.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Karan, NK (reprint author), Brown Univ, Sch Engn, Providence, RI 02912 USA.
EM cjohnson@anl.gov; mali@aps.anl.gov
FU University of Washington; Advanced Photon Source; U.S. DOE
[DE-AC02-06CH11357]
FX The x-ray studies were carried out at beamlines 11BM and 20BM at the
Advanced Photon Source. XSD/PNC (sector 20) facilities at the Advanced
Photon Source, and research at these facilities, are supported by the
U.S. Department of Energy - Basic Energy Sciences, the Canadian Light
Source and its funding partners, the University of Washington, and the
Advanced Photon Source. Use of the Advanced Photon Source, an Office of
Science User Facility operated for the U.S. Department of Energy (DOE)
Office of Science by Argonne National Laboratory, was supported by the
U.S. DOE under Contract No. DE-AC02-06CH11357. Naba K. Karan and Michael
D. Slater contributed equally to this work.
NR 35
TC 8
Z9 8
U1 15
U2 81
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 2014
VL 161
IS 6
BP A1107
EP A1115
DI 10.1149/2.088406jes
PG 9
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AM0BV
UT WOS:000339508600042
ER
PT J
AU Lengyel, M
Atlas, G
Elhassid, D
Zhang, XF
Belharouak, I
Axelbaum, RL
AF Lengyel, Miklos
Atlas, Gal
Elhassid, Dror
Zhang, Xiaofeng
Belharouak, Ilias
Axelbaum, Richard L.
TI Effects of Lithium Content and Surface Area on the Electrochemical
Performance of Li1.2Mn0.54Ni0.13Co0.13O2
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID LI-ION BATTERIES; NICKEL-MANGANESE-OXIDES; FLAME SPRAY-PYROLYSIS;
CATHODE MATERIALS; STRUCTURAL COMPLEXITY; COMPOSITE ELECTRODES; RATE
CAPABILITY; LI2MNO3-LIMO2 M; CO ELECTRODES; MN
AB Lithium-rich, layered composites of xLi(2)MnO(3)center dot(1-x)LiNi1/3Mn1/3Co1/3O2 have been extensively studied for PHEVs and EVs. To ensure complete lithiation, most synthesis methods require the addition of excess lithium compared to the stoichiometric composition. In this study lithium enriched, layered composites of Li1.2Mn0.54Ni0.13Co0.13O2 were synthesized in a spray pyrolysis process. Spray pyrolysis allows for excellent control of composition and in this work the lithium content was systematically varied between 3.3 wt% excess and 3.3 wt% deficient compared to Li1.2Mn0.54Ni0.13Co0.13O2. The as-synthesized powders were annealed at 900 degrees C for 2, 5 and 20 hours. Results indicate that as the annealing time is increased the surface areas is reduced from 9 to similar to 2 m(2) g(-1). No new phases form during the annealing process although changes in the relative intensity of the (018) and (110) peaks imply a reorganization between the transition metal and lithium layers. An excess Li of 3.3 wt% is sufficient to counter these structural rearrangements and maintain discharge capacities close to 200 mAhg(-1) after 100 cycles at C/3. Samples with a smaller surface area do not lead to improved capacity retention. The results also suggest that the Li2MnO3 structural component has a key role in the voltage fade for these materials. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Lengyel, Miklos; Atlas, Gal; Axelbaum, Richard L.] Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA.
[Elhassid, Dror] X Tend Energy LLC, St Louis, MO 63132 USA.
[Zhang, Xiaofeng; Belharouak, Ilias] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Lengyel, M (reprint author), Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA.
EM axelbaum@wustl.edu
OI Belharouak, Ilias/0000-0002-3985-0278
FU NSF [0928964]; X-Tend Energy, LLC; Nano Research Facility (NRF) of the
National Nanotechnology Infrastructure Network (NNIN) by the National
Science Foundation [ECS-0335765]
FX The authors are grateful to NSF for support under grant No. 0928964 and
X-Tend Energy, LLC for support. This work was also supported by the Nano
Research Facility (NRF), a member of the National Nanotechnology
Infrastructure Network (NNIN), which is supported by the National
Science Foundation under grant No. ECS-0335765. Any opinions, findings,
conclusions, or recommendations expressed in this material are those of
the author(s) and do not necessarily reflect the views of the National
Science Foundation. NRF is part of the School of Engineering and Applied
Science at Washington University in St. Louis. RLA and Washington
University may receive income based on a license of related technology
by the University to X-tend Energy LLC.
NR 59
TC 3
Z9 3
U1 4
U2 62
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 2014
VL 161
IS 6
BP A1023
EP A1031
DI 10.1149/2.055406jes
PG 9
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AM0BV
UT WOS:000339508600030
ER
PT J
AU Sun, CN
Delnick, FM
Aaron, DS
Papandrew, AB
Mench, MM
Zawodzinski, TA
AF Sun, Che-Nan
Delnick, Frank M.
Aaron, Douglas S.
Papandrew, Alexander B.
Mench, Matthew M.
Zawodzinski, Thomas A., Jr.
TI Resolving Losses at the Negative Electrode in All-Vanadium Redox Flow
Batteries Using Electrochemical Impedance Spectroscopy
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID ENERGY-STORAGE; CELL; CONFIGURATION; MEMBRANES; COUPLE
AB We present an in situ electrochemical technique for the quantitative measurement and resolution of the ohmic, charge transfer and diffusion overvoltages at the negative electrode of an all-vanadium redox flow battery (VRFB) using electrochemical impedance spectroscopy (EIS). The mathematics describing the complex impedance of the V+2N+3 redox reaction is derived and matches the experimental data. The voltage losses contributed by each process have been resolved and quantified at various flow rates and electrode thicknesses as a function of current density during anodic and cathodic polarization. The diffusion overvoltage was affected strongly by flow rate while the charge transfer and ohmic losses were invariant. On the other hand, adopting a thicker electrode significantly changed both the charge transfer and diffusion losses due to increased surface area. Furthermore, the Tafel plot obtained from the impedance resolved charge transfer overvoltage yielded the geometric exchange current density, anodic and cathodic Tafel slopes (135 +/- 5 and 121 +/- 5 mV/decade respectively) and corresponding transfer coefficients alpha = 0.45 +/- 0.02 and beta = 0.50 +/- 0.02 in an operating cell. (C) 2014 The Electrochemical Society.
C1 [Sun, Che-Nan; Mench, Matthew M.; Zawodzinski, Thomas A., Jr.] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Delnick, Frank M.] Sandia Natl Labs, Power Sources Technol Grp, Albuquerque, NM 87185 USA.
[Aaron, Douglas S.; Papandrew, Alexander B.; Zawodzinski, Thomas A., Jr.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Mench, Matthew M.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA.
[Zawodzinski, Thomas A., Jr.] King Abdulaziz Univ, Dept Chem, Jeddah 21413, Saudi Arabia.
RP Sun, CN (reprint author), Oak Ridge Natl Lab, Energy & Transportat Sci Div, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
EM chenan.sun@gmail.com; tzawodzi@utk.edu
FU US Department of Energy Office of Electricity Storage Systems Program;
University of Tennessee Governor's Chair Fund
FX The authors gratefully acknowledge the support of the US Department of
Energy Office of Electricity Storage Systems Program directed by Dr.
Imre Gyuk and the University of Tennessee Governor's Chair Fund for
support of this work.
NR 31
TC 4
Z9 4
U1 6
U2 44
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 2014
VL 161
IS 6
BP A981
EP A988
DI 10.1149/2.045406jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AM0BV
UT WOS:000339508600023
ER
PT J
AU Wang, B
Richardson, TJ
Chen, GY
AF Wang, Bin
Richardson, Thomas J.
Chen, Guoying
TI Electroactive Polymer Fiber Separators for Stable and Reversible
Overcharge Protection in Rechargeable Lithium Batteries
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID ION BATTERY; NONWOVEN SEPARATOR; ELECTRIC-FIELD; NANOFIBERS;
ELECTROLYTE; CELLS
AB An approach was developed to fabricate functionalized separators capable of providing long-term overcharge protection for secondary lithium batteries. Free-standing non-woven fiber membranes consisting of an electroactive polymer and a supporting polymer were prepared by an inexpensive and scalable electrospinning technique. The membranes sustained large shunt current densities despite the presence of an inert polymer component that dilutes the electroactive polymer. A bilayer fiber separator prepared by this method provided a reversible voltage-regulated current shunt for a Li1.05Mn1.95O4/Li cell for more than 1000 135% overcharge cycles at a 2/3 C rate, which is the most stable overcharge protection yet reported. This approach enables better distribution of the electroactive polymer which should reduce the cost of overcharge protection separators. (C) The Author(s) 2014. 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 [Wang, Bin; Richardson, Thomas J.; Chen, Guoying] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
RP Wang, B (reprint author), China Acad Engn Phys, Inst Chem Mat, New Mat R&D Ctr, Chengdu 621900, Sichuan, Peoples R China.
EM gchen@lbl.gov
RI Wang, Bin/F-9677-2012
OI Wang, Bin/0000-0001-7104-4543
FU Office of FreedomCAR and Vehicle Technologies of the U. S. Department of
Energy [DE-AC02-05CH11231]
FX We thank Drs. Yuegang Zhang and Liwen Ji for the assistance in
electrospinning, and Dr. Wei Zhang for the assistance in electrode
fabrication. This work was supported by the Assistant Secretary for
Energy Efficiency and Renewable Energy, Office of FreedomCAR and Vehicle
Technologies of the U. S. Department of Energy under Contract No.
DE-AC02-05CH11231.
NR 25
TC 4
Z9 4
U1 2
U2 31
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 2014
VL 161
IS 6
BP A1039
EP A1044
DI 10.1149/2.061406jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AM0BV
UT WOS:000339508600032
ER
PT J
AU Wujcik, KH
Velasco-Velez, J
Wu, CH
Pascal, T
Teran, AA
Marcus, MA
Cabana, J
Guo, JH
Prendergast, D
Salmeron, M
Balsara, NP
AF Wujcik, Kevin H.
Velasco-Velez, Juan
Wu, Cheng Hao
Pascal, Tod
Teran, Alexander A.
Marcus, Matthew A.
Cabana, Jordi
Guo, Jinghua
Prendergast, David
Salmeron, Miquel
Balsara, Nitash P.
TI Fingerprinting Lithium-Sulfur Battery Reaction Products by X-ray
Absorption Spectroscopy
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID PRINCIPAL COMPONENT ANALYSIS; FINE-STRUCTURE; XANES SPECTROSCOPY;
SPECIATION; REDUCTION; POLYSULFIDES; CATHODE; EXAFS; ELECTROLYTES;
OXIDATION
AB Lithium-sulfur batteries have a theoretical specific energy that is a factor of five greater than that of current lithium-ion batteries, but suffer from consequences of the solubility of lithium polysulfide reaction intermediates that form as the batteries are charged and discharged. These species can react with each other and diffuse out of the cathode, causing battery capacity to fade and ultimately, cell failure. In spite of work that has spanned four decades, "fingerprints" of polysulfides have not yet been established, precluding a systematic study of lithium-sulfur chemistry. Herein we demonstrate the use of principal component analysis of X-ray absorption spectroscopy (XAS) to obtain fingerprints of lithium polysulfides. This approach enables interpretation of spectral data without any assumptions regarding the origin of the observed spectral features or knowledge of the stability of the polysulfide species of interest. We show that in poly(ethylene oxide)-based solid electrolytes containing polysulfides made by chemically reacting Li2S and elemental sulfur, Li2S2 and Li2S6 spontaneously disproportionate to give binary Li2S/Li2S4 and Li2S4/Li2S8 mixtures, respectively, while Li2S4 and Li2S8 exist as single molecular species. XAS fingerprints of Li2S4 and Li2S8 are thus presented. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Wujcik, Kevin H.; Teran, Alexander A.; Balsara, Nitash P.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Wujcik, Kevin H.; Teran, Alexander A.; Cabana, Jordi; Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Velasco-Velez, Juan; Wu, Cheng Hao; Prendergast, David; Salmeron, Miquel; Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.
[Wu, Cheng Hao] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Pascal, Tod] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Marcus, Matthew A.; Guo, Jinghua] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Cabana, Jordi] Univ Illinois, Dept Chem, Chicago, IL 60607 USA.
RP Wujcik, KH (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
EM nbalsara1@gmail.com
RI Wu, Cheng Hao/C-9565-2014; Cabana, Jordi/G-6548-2012; Foundry,
Molecular/G-9968-2014
OI Cabana, Jordi/0000-0002-2353-5986;
FU Office of Vehicle Technologies of the U.S. Department of Energy
[DE-AC02-05CH11231]; DOE Office of Biological and Environmental
Research; National Institutes of Health, National Institute of General
Medical Sciences [P41GM103393]; Office of Science, Office of Basic
Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]
FX This work was supported by the Assistant Secretary for Energy Efficiency
and Renewable Energy, Office of Vehicle Technologies of the U.S.
Department of Energy under Contract DE-AC02-05CH11231 under the
Batteries for Advanced Transportation Technologies (BATT) Program.;
Portions of this research were carried out at the Stanford Synchrotron
Radiation Lightsource, a Directorate of SLAC National Accelerator
Laboratory and an Office of Science User Facility operated for the U.S.
Department of Energy Office of Science by Stanford University. The SSRL
Structural Molecular Biology Program is supported by the DOE Office of
Biological and Environmental Research, and by the National Institutes of
Health, National Institute of General Medical Sciences (including
P41GM103393). The contents of this publication are solely the
responsibility of the authors and do not necessarily represent the
official views of NIGMS or NIH. Complimentary XAS experiments were also
conducted at the Advanced Light Source, 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 37
TC 21
Z9 21
U1 15
U2 71
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 2014
VL 161
IS 6
BP A1100
EP A1106
DI 10.1149/2.078406jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AM0BV
UT WOS:000339508600041
ER
PT J
AU Yang, ZZ
Ingram, BJ
Trahey, L
AF Yang, Zhenzhen
Ingram, Brian J.
Trahey, Lynn
TI Interfacial Studies of Li-Ion Battery Cathodes Using In Situ
Electrochemical Quartz Microbalance with Dissipation
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID SPECTROSCOPIC ELLIPSOMETRY; CRYSTAL MICROBALANCE; LITHIUM; ELECTRODES;
SEI; TRANSFORMATION; ELECTROLYTES; DIFFRACTION; DEPOSITION; ALUMINUM
AB In situ Electrochemical Quartz Microbalance with Dissipation (EQCM-D) was employed to investigate the initial stage of solid electrolyte interphase (SEI) layer formation on bare aluminum electrodes and cathode-coated Al electrodes for lithium-ion battery (LIB) applications. EQCM reveals the SEI layer forms spontaneously upon exposure of the electrode to battery electrolyte on both surfaces. The mass of SEI layer then increases as a function of applied voltage. EQCM-D studies demonstrate a correlation between interfacial reactions and high voltage cycling on the cathode surface. In this work, EQCM-D has been applied to LIBs for the first time, and can ultimately provide a wealth of information about the properties of SEI films on electrodes. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Yang, Zhenzhen; Ingram, Brian J.; Trahey, Lynn] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Yang, ZZ (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM trahey@anl.gov
RI Yang, Zhenzhen/A-5904-2012
FU Office of Vehicle Technologies, U.S. Department of Energy (DOE); U.S.
Department of Energy Office of Science laboratory [DE-AC02-06CH11357]
FX This work was supported by the Office of Vehicle Technologies, U.S.
Department of Energy (DOE). Jason Croy is gratefully acknowledged for
synthesizing and providing the homemade LMR-NMC material. The submitted
manuscript has been created by UChicago Argonne, LLC, Operator of
Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of
Energy Office of Science laboratory, is operated under Contract No.
DE-AC02-06CH11357. The U.S. Government retains for itself, and others
acting on its behalf, a paid-up nonexclusive, irrevocable worldwide
license in said article to reproduce, prepare derivative works,
distribute copies to the public, and perform publicly and display
publicly, by or on behalf of the Government.
NR 24
TC 5
Z9 5
U1 9
U2 44
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 2014
VL 161
IS 6
BP A1127
EP A1131
DI 10.1149/2.101406jes
PG 5
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AM0BV
UT WOS:000339508600044
ER
PT J
AU Unocic, KA
Elsentriecy, HH
Brady, MP
Meyer, HM
Song, GL
Fayek, M
Meisner, RA
Davis, B
AF Unocic, K. A.
Elsentriecy, H. H.
Brady, Michael P.
Meyer, H. M., III
Song, G. L.
Fayek, M.
Meisner, R. A.
Davis, B.
TI Transmission Electron Microscopy Study of Aqueous Film Formation and
Evolution on Magnesium Alloys
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID SURFACE-FILM; OXIDE-FILMS; INITIAL OXIDATION; ROOM-TEMPERATURE; PURE
MAGNESIUM; WATER-VAPOR; MG ALLOY; CORROSION; AZ31; XPS
AB The films formed on ultrahigh purity Mg, Elektron 717 (ZE10A), and AZ31B in water at room temperature were characterized by TEM, XPS, and SIMS. The films consisted primarily of MgO, with surface regions also containing Mg(OH)(2) and MgCO3. SIMS suggested H throughout the films and into the underlying metal. Segregation of Zn to the metal/film interface and Al in the film was observed for AZ31B. Similar Zn film segregation was also detected for Elektron 717, along with Nd at the alloy/film interface and nano-size Zn2Zr3 precipitates throughout the film. Implications of these findings on film growth are discussed. (C) The Author(s) 2014. Published by ECS. All rights reserved.
C1 [Unocic, K. A.; Brady, Michael P.; Meyer, H. M., III; Song, G. L.; Meisner, R. A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Elsentriecy, H. H.] Cent Met Res & Dev Inst, Cairo 11421, Egypt.
[Fayek, M.] Univ Manitoba, Winnipeg, MB R3T 2N2, Canada.
[Davis, B.] Magnesium Elektron North Amer, Madison, IL 62060 USA.
RP Unocic, KA (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM unocicka@ornl.gov; bradymp@ornl.gov
RI Brady, Michael/A-8122-2008; Song, Guang-Ling/D-9540-2013
OI Brady, Michael/0000-0003-1338-4747; Song, Guang-Ling/0000-0002-9802-6836
FU U.S. Department of Energy, Energy Efficiency & Renewable Energy Vehicle
Technologies Office; ORNL's Shared Research Equipment (ShaRE) User
Program - Office of Basic Energy Sciences, the U.S. Department of
Energy; UT-Battelle, LLC [DE-AC05-00OR22725]; U.S. Department of Energy
FX The authors thank D.W. Coffey, T.M. Lowe, T. Geer and T.L. Jordan for
assistance with the experimental work. J.K. Thomson, D.F. Wilson, S.J.
Pawel and L.F. Allard provided comments and suggestions on the results
and manuscript. This research was sponsored by the U.S. Department of
Energy, Energy Efficiency & Renewable Energy Vehicle Technologies
Office. Research supported by ORNL's Shared Research Equipment (ShaRE)
User Program, which is sponsored by the Office of Basic Energy Sciences,
the U.S. Department of Energy. This manuscript has been authored by
UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725 with the U.S.
Department of Energy. The United States Government retains and the
publisher, by accepting the article for publication, acknowledges that
the United States Government retains a non-exclusive, paid-up,
irrevocable, worldwide license to publish or reproduce the published
form of this manuscript, or allow others to do so, for United States
Government purposes.
NR 40
TC 35
Z9 35
U1 3
U2 29
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2014
VL 161
IS 6
BP C302
EP C311
DI 10.1149/2.024406jes
PG 10
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AM0BV
UT WOS:000339508600067
ER
PT J
AU Lopes, T
Sansinena, JM
Mukundan, R
Hussey, DS
Jacobson, DL
Garzon, FH
AF Lopes, Thiago
Sansinena, Jose-Maria
Mukundan, Rangachary
Hussey, Daniel S.
Jacobson, David L.
Garzon, Fernando H.
TI Diagnosing the Effects of Ammonia Exposure on PEFC Cathodes
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID MEMBRANE FUEL-CELL; PEMFC CONTAMINATION MODEL; OXYGEN REDUCTION
KINETICS; PERFLUORINATED IONOMER; IMPURITY CATIONS; PERFORMANCE;
EXCHANGE; ELECTRODES; PLATINUM; CATALYST
AB The performance degradation and recovery of a polymer electrolyte fuel cell exposed to ammonia is described. The effect of ammonia contamination on each component of the MEA was studied using Neutron Imaging, lifetime tests, cell polarization measurements, potentiostatic measurements, and AC impedance spectroscopy. It is found that among the detrimental effects of the contaminant, mass transport and ORR kinectic are mostly affected. Reductions in electrolyte conductivity are not playing a major role in cell performance losses for the low levels of contamination studied here. Shifts in electrolyte proton activity reduce oxygen reduction reaction mixed equilibrium potential and so cell potential. In addition, cell potential might also be affected by overpotentials on the oxygen reduction reaction caused by oxidation of ammonia at cell potential above 0.7 V. It is demonstrated that cell initial performance can be recovered after contamination and ammonia-contaminated PEFC recovering mechanisms are discussed. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Lopes, Thiago] Univ Sao Paulo, Inst Quim Sao Carlos, BR-13560970 Sao Paulo, Brazil.
[Lopes, Thiago; Sansinena, Jose-Maria; Mukundan, Rangachary; Garzon, Fernando H.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
[Hussey, Daniel S.; Jacobson, David L.] NIST, Phys Measurement Lab, Gaithersburg, MD 20899 USA.
RP Lopes, T (reprint author), Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AZ, England.
EM tlopeschem@gmail.com; garzon@lanl.gov
RI Lopes, Thiago/I-6350-2013;
OI Lopes, Thiago/0000-0002-1049-4679; Mukundan,
Rangachary/0000-0002-5679-3930
FU U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy Fuel Cell Technologies Program; Brazilian government agency CAPES
[1151-08-8]
FX The authors acknowledge the U.S. Department of Energy, Office of Energy
Efficiency and Renewable Energy Fuel Cell Technologies Program for
support of this research and thank Dr. Nancy Garland the Technology
Development manager. Thiago Lopes also thanks the Brazilian government
agency CAPES, process number 1151-08-8, for granting him a one year
fellowship at Los Alamos National Laboratory.
NR 35
TC 3
Z9 3
U1 2
U2 17
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2014
VL 161
IS 6
BP F703
EP F709
DI 10.1149/2.028406jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AM0BV
UT WOS:000339508600088
ER
PT J
AU Ma, LZ
Kang, BSJ
Alvin, MA
Huang, CC
AF Ma, Longzhou
Kang, Bruce S. -J.
Alvin, Mary A.
Huang, C. C.
TI Characterization of Oxide-Dispersion-Strengthened (ODS) Alloy Powders
Processed by Mechano-Chemical-Bonding (MCB) and Balling Milling (BM)
SO KONA POWDER AND PARTICLE JOURNAL
LA English
DT Article
DE oxide-dispersion-strengthened (ODS) alloy; Mechano-Chemical-Bonding
(MCB); ball-milling (BM); X-ray diffraction (XRD); scanning electron
microscopy (SEM); transmission electron microscopy (TEM); lamellate
structure
ID SPECIMEN PREPARATION; STEELS; IRRADIATION; TEM
AB Two types of powder processing techniques, Mechano-Chemical-Bonding (MCB) and MCB plus ball-milling (BM) with reduced time, have been employed to process the nickel-based oxide-dispersion-strengthened (ODS) alloy powders with composition of Ni-20Cr-5Al-3W-1.5Y(2)O(3) to explore the alternate routes for fabricating, homogenizing and mechanical alloying (MA) the ODS alloy powders, which are usually processed by a prolonged ball-milling or rod-milling technique. In order to examine and evaluate the microstructure, morphology, blending homogeneity and MA effect of alloying powders, the commercial ball-milled ODS MA 956 alloy powders and experimental alloy powders processed by MCB only and MCB plus BM were subjected to microscopic and spectroscopic characterization and analysis using X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). A FIB (focus ion beam) lift-out technique was employed to prepare the TEM cross-section samples of processed powders. The results showed that the MCB plus BM with reduced time could produce the ODS alloying powders with homogeneous lamellate structure similar to MA 956 powders processed by conventional BM technique with a prolonged period of time. The ODS alloy powders processed by MCB plus BM are to be utilized to fabricate the bulk ODS alloy product in the further research phase.
C1 [Ma, Longzhou] Univ Nevada, Harry Reid Ctr Environm Studies, Las Vegas, NV 89154 USA.
[Kang, Bruce S. -J.] W Virginia Univ, Dept Mech & Aerosp Engn, Morgantown, WV 26506 USA.
[Alvin, Mary A.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[Huang, C. C.] Hosokawa Micron Powder Syst, Summit, NJ 07901 USA.
RP Ma, LZ (reprint author), Univ Nevada, Harry Reid Ctr Environm Studies, Box 454009,4505 Maryland Pkwy, Las Vegas, NV 89154 USA.
EM lma@nanosteelco.com
FU US Department of Energy; National Energy Technology Laboratory (NETL);
Advanced Research Materials (ARM) Program under RDS
[DE-AC26-04NT41817.606.01.01]
FX This research is supported by US Department of Energy, National Energy
Technology Laboratory (NETL), and Advanced Research Materials (ARM)
Program under RDS Contract DE-AC26-04NT41817.606.01.01. The
encouragement and support by Patricia Rawls and Robert Romanosky,
Program Managers, are very much appreciated. Thanks are also due to TRP
(Transmutation Research Program), University of Nevada, Las Vegas, for
supporting X-RD, SEM and TEM analysis in instrument usage and working
time.
NR 18
TC 0
Z9 0
U1 1
U2 4
PU HOSOKAWA POWDER TECHNOL FOUNDATION
PI HIRAKATA-SHI
PA NO 9, 1-CHOME, SHOUDAI TAJIKA, HIRAKATA-SHI, OSAKA 573-1132, JAPAN
SN 0288-4534
J9 KONA POWDER PART J
JI KONA Powder Part. J.
PY 2014
IS 31
BP 146
EP 155
PG 10
WC Engineering, Chemical; Materials Science, Multidisciplinary
SC Engineering; Materials Science
GA AL9GQ
UT WOS:000339449000011
ER
PT S
AU Polat, BD
Eryilmaz, OL
Keles, O
AF Polat, B. Deniz
Eryilmaz, O. Levent
Keles, Ozgul
BE Bugga, RV
Smart, MC
Manthiram, A
TI Optimizing the Composition of the Cu/Si Thin Film Anodes Produced via
Magnetron Sputtering
SO LITHIUM-ION BATTERIES
SE ECS Transactions
LA English
DT Proceedings Paper
CT Symposium on Lithium-Ion Batteries held during the 224th meeting of The
Electrochemical-Society (ECS)
CY OCT 27-NOV 01, 2013
CL San Francisco, CA
SP Electrochem Soc, Battery Div
ID LI-ION BATTERIES; LITHIUM INSERTION; SI FILM; SILICON;
INSERTION/EXTRACTION; TEMPERATURE; ELECTRODES; EXTRACTION; CELLS; TIN
AB The reversible cyclability of Si based composite anodes is greatly improved by optimizing the atomic ratio of Cu/Si in the films fabricated via magnetron sputtering. The galvanostatic test results show that the thin film anode made of 20%at. Cu delivers 1950 mAhg(-1) as the initial discharge capacity with 80% coulombic efficiency. Then, after the 50th cycles 80% of the initial discharge capacity is retained, with 99.5 % coulombic efficiency. This remarkable performance can be explained by small crystalline sizes, amorphous structures of the thin film and its enhanced physical and mechanical properties due to the 20 %at. Cu content. High specific capacities achieved in this study prove that magnetron sputtering deposition might be a good alternative production technique to fabricate high performance anode materials. Furthermore, this one step, environmentally friendly process enables one to control the film composition, structure as well as adhesion which minimizes delamination and pulverization.
C1 [Polat, B. Deniz; Keles, Ozgul] ITU, Dept Met & Mat Engn, TR-34469 Istanbul, Turkey.
[Polat, B. Deniz; Eryilmaz, O. Levent] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA.
RP Polat, BD (reprint author), ITU, Dept Met & Mat Engn, TR-34469 Istanbul, Turkey.
NR 20
TC 0
Z9 0
U1 1
U2 6
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA
SN 1938-5862
BN 978-1-60768-536-4
J9 ECS TRANSACTIONS
PY 2014
VL 58
IS 48
BP 15
EP +
DI 10.1149/05848.0015ecst
PG 2
WC Electrochemistry; Energy & Fuels
SC Electrochemistry; Energy & Fuels
GA BA9HA
UT WOS:000339379700002
ER
PT S
AU Mao, J
Tiedemann, W
Newman, J
AF Mao, Jing
Tiedemann, William
Newman, John
BE Bugga, RV
Smart, MC
Manthiram, A
TI Simulation of Li-ion Cells by Dualfoil Model under Constant-Resistance
Load
SO LITHIUM-ION BATTERIES
SE ECS Transactions
LA English
DT Proceedings Paper
CT Symposium on Lithium-Ion Batteries held during the 224th meeting of The
Electrochemical-Society (ECS)
CY OCT 27-NOV 01, 2013
CL San Francisco, CA
SP Electrochem Soc, Battery Div
ID BATTERY ELECTROLYTES; THERMAL-PROPERTIES; INSERTION CELL; LITHIUM;
CHARGE; OPTIMIZATION; TEMPERATURE; ELECTRODES; INTERFACE; SYSTEMS
AB The Dualfoil model is used to simulate the electrochemical behavior and temperature rise for MCMB/LiCoO2 Li-ion cells under constant-resistance load operation, approaching a short-circuit condition. Electrolyte and solid surface concentration profiles of lithium-ion across the cell at various time scales are developed and analyzed to explain the lithium-ion transport limitations. Sensitivity simulative tests are conducted using selected values of the heat-transfer coefficient, lithium-ion diffusion coefficient in the solution and solid phases, electrode kinetic rate constants, and film resistance. Radial mass transport of lithium from the center of the pore to the pore wall (in the CoO2) has been added to the model to describe better current limitations at very high discharge currents. The results show that excessive overheating in batteries can result under conditions approaching short circuit.
C1 [Mao, Jing; Newman, John] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Tiedemann, William] Slab Creek, Cedarburg, WI 53012 USA.
[Newman, John] Univ Calif Berkeley, Dept Biomol & Chem Engn, Berkeley, CA 94720 USA.
RP Mao, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
NR 34
TC 1
Z9 1
U1 0
U2 11
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA
SN 1938-5862
BN 978-1-60768-536-4
J9 ECS TRANSACTIONS
PY 2014
VL 58
IS 48
BP 71
EP +
DI 10.1149/05848.0071ecst
PG 3
WC Electrochemistry; Energy & Fuels
SC Electrochemistry; Energy & Fuels
GA BA9HA
UT WOS:000339379700007
ER
PT S
AU Huang, LJ
Lin, YZ
Zhang, ZG
Labyed, Y
Tan, SR
Nguyen, N
Hanson, K
Sandoval, D
Williamson, M
AF Huang, Lianjie
Lin, Youzuo
Zhang, Zhigang
Labyed, Yassin
Tan, Sirui
Nghia Nguyen
Hanson, Kenneth
Sandoval, Daniel
Williamson, Michael
BE Bosch, JG
Doyley, MM
TI Breast ultrasound waveform tomography: Using both transmission and
reflection data, and numerical virtual point sources
SO MEDICAL IMAGING 2014: ULTRASONIC IMAGING AND TOMOGRAPHY
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Medical Imaging - Ultrasonic Imaging and Tomography
CY FEB 18-20, 2014
CL San Diego, CA
SP SPIE, Modus Med Devices Inc, XIFIN Inc, Ventana Med Syst Inc, Intrace Med
DE Breast cancer; numerical virtual point source; reflection; transmission;
synthetic-aperture ultrasound; ultrasound ray tomography; ultrasound
tomography; ultrasound waveform tomography; virtual point source
ID SYNTHETIC-APERTURE TECHNIQUES; CANCER
AB Ultrasound transmission tomography usually generates low-resolution breast images. We improve sound-speed reconstructions using ultrasound waveform tomography with both transmission and reflection data. We validate the improvement using computer-generated synthetic-aperture ultrasound transmission and reflection data for numerical breast phantoms. Our tomography results demonstrate that using both transmission and reflection data in ultrasound waveform tomography greatly enhances the resolution and accuracy of tomographic reconstructions compared to ultrasound waveform tomography using either transmission data or reflection data alone. To verify the capability of our novel ultrasound waveform tomography, we design and manufacture a new synthetic-aperture breast ultrasound tomography system with two parallel transducer arrays for clinical studies. The distance of the two transducer arrays is adjustable for accommodating different sizes of the breast. The parallel transducer arrays also allow us to easily scan the axillary region to evaluate the status of axillary lymph nodes and detect breast cancer in the axillary region. However, synthetic-aperture ultrasound reflection data acquired by firing each transducer element sequentially are usually much weaker than transmission data, and have much lower signal-to-noise ratios than the latter. We develop a numerical virtual-point-source method to enhance ultrasound reflection data using synthetic-aperture ultrasound data acquired by firing each transducer element sequentially. Synthetic-aperture ultrasound reflection data for a breast phantom obtained using our numerical virtual-point-source method reveals many coherent ultrasound reflection waveforms that are weak or invisible in the original synthetic-aperture ultrasound data. Ultrasound waveform tomography using both transmission and reflection data together with numerical virtual-point-source method has great potential to produce high-resolution tomographic reconstructions in clinical studies of breast ultrasound tomography.
C1 [Huang, Lianjie; Lin, Youzuo; Zhang, Zhigang; Labyed, Yassin; Tan, Sirui; Nghia Nguyen; Hanson, Kenneth] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[Sandoval, Daniel; Williamson, Michael] Univ New Mexico, Albuquerque, NM 87131 USA.
RP Huang, LJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM ljh@lanl.gov
RI Tan, Sirui/H-9565-2015
OI Tan, Sirui/0000-0002-8150-3261
FU Breast Cancer Research Program of U. S
FX This work was supported by the Breast Cancer Research Program of U. S.
DOD Congressionally Directed Medical Research Programs. The computation
was performed using super- computers of the Institutional Computing
Program of Los Alamos National Laboratory.
NR 44
TC 0
Z9 0
U1 2
U2 9
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9833-5
J9 PROC SPIE
PY 2014
VL 9040
AR UNSP 90400T
DI 10.1117/12.2043136
PG 12
WC Optics; Radiology, Nuclear Medicine & Medical Imaging
SC Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BA9FB
UT WOS:000339329900025
ER
PT S
AU Labyed, Y
Huang, LJ
AF Labyed, Yassin
Huang, Lianjie
BE Bosch, JG
Doyley, MM
TI Toward real-time bent-ray breast ultrasound tomography using GPUs
SO MEDICAL IMAGING 2014: ULTRASONIC IMAGING AND TOMOGRAPHY
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Medical Imaging - Ultrasonic Imaging and Tomography
CY FEB 18-20, 2014
CL San Diego, CA
SP SPIE, Modus Med Devices Inc, XIFIN Inc, Ventana Med Syst Inc, Intrace Med
DE Bent-ray ultrasound tomography; Conjugate gradient; CUDA; General
Purpose Processing Units (GPPUs); Inversion
ID INVERSE SCATTERING; TRANSMISSION
AB Breast ultrasound tomography is a promising imaging modality that has the potential to improve the diagnosis and screening of breast cancer. We develop a bent-ray ultrasound tomography algorithm to reconstruct sound-speed images of the breast. We investigate the acceleration of the algorithm using graphical processing units (GPUs). We adapt the algorithmic steps of ultrasound bent-ray tomography to a GPU cluster, and use multi-GPU scaling to speed up the computation. Our results show that it is very promising to use a GPU cluster with multiple GPU cards to achieve nearly real-time tomographic reconstruction.
C1 [Labyed, Yassin; Huang, Lianjie] Los Alamos Natl Lab, 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; yassin@lanl.gov
NR 31
TC 0
Z9 0
U1 0
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9833-5
J9 PROC SPIE
PY 2014
VL 9040
AR 90401N
DI 10.1117/12.2043127
PG 8
WC Optics; Radiology, Nuclear Medicine & Medical Imaging
SC Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BA9FB
UT WOS:000339329900054
ER
PT S
AU Lin, YZ
Huang, LJ
AF Lin, Youzuo
Huang, Lianjie
BE Bosch, JG
Doyley, MM
TI Ultrasound waveform tomography with a spatially-variant regularization
scheme
SO MEDICAL IMAGING 2014: ULTRASONIC IMAGING AND TOMOGRAPHY
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Medical Imaging - Ultrasonic Imaging and Tomography
CY FEB 18-20, 2014
CL San Diego, CA
SP SPIE, Modus Med Devices Inc, XIFIN Inc, Ventana Med Syst Inc, Intrace Med
DE Breast tumor; sound speed; spatially-variant regularization; ultrasound
reflection; ultrasound transmission; ultrasound waveform tomography
AB Regularization is often needed in breast ultrasound waveform tomography to improve tomographic reconstructions. A global regularization parameter may lead to either over-regularization or under-regularization in different regions in the imaging domain. We develop a new ultrasound waveform tomography method with spatially-variant regularization. Our new method employs different regularization parameters in different regions of the breast so that each regularization parameter is optimal for the local region. Our numerical examples demonstrate the improvement of ultrasound waveform tomography using the spatially-variant modified total-variation regularization for sound-speed reconstructions of large and small breast tumors, particularly when their sizes are significantly different from one another.
C1 [Lin, Youzuo; Huang, Lianjie] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Huang, LJ (reprint author), Los Alamos Natl Lab, MS D452, Los Alamos, NM 87545 USA.
EM ylin@lanl.gov; ljh@lanl.gov
NR 11
TC 0
Z9 0
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 978-0-8194-9833-5
J9 PROC SPIE
PY 2014
VL 9040
AR 90401M
DI 10.1117/12.2043110
PG 7
WC Optics; Radiology, Nuclear Medicine & Medical Imaging
SC Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BA9FB
UT WOS:000339329900053
ER
PT S
AU Nguyen, NQ
Huang, LJ
AF Nguyen, Nghia Q.
Huang, Lianjie
BE Bosch, JG
Doyley, MM
TI Ultrasound bent-ray tomography using both transmission and reflection
data
SO MEDICAL IMAGING 2014: ULTRASONIC IMAGING AND TOMOGRAPHY
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Medical Imaging - Ultrasonic Imaging and Tomography
CY FEB 18-20, 2014
CL San Diego, CA
SP SPIE, Modus Med Devices Inc, XIFIN Inc, Ventana Med Syst Inc, Intrace Med
DE Arrival time; breast cancer; bent-ray; Kirchhoff migration; ray tracing;
reflection; sound-speed reconstruction; transmission; time-of-flight;
ultrasound tomography
ID SPARSE LEAST-SQUARES; ALGORITHM
AB Ultrasound bent-ray tomography can produce the sound-speed distribution of the breast for detection and diagnosis of breast cancer. However, the conventional ultrasound ray tomography uses only transmission data, leading to low-resolution images. We develop a new ultrasound bent-ray tomography technique using both transmission and reflection data to improve sound-speed reconstructions. We employ an ultrasound reflection imaging technique, Kirchhoff migration, to obtain the locations of reflectors for calculating arrival times of ultrasound refection signals. We use both first-arrival times (time-of-flights) of ultrasound transmission data and arrival times of ultrasound reflection data for sound-speed reconstructions. Our numerical studies show that our new ultrasound bent-ray tomography using both transmission and reflection data significantly improves the image resolution and sound-speed reconstructions compared to the conventional ultrasound ray tomography using only transmission data.
C1 [Nguyen, Nghia Q.; Huang, Lianjie] Los Alamos Natl Lab, 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 16
TC 1
Z9 1
U1 0
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9833-5
J9 PROC SPIE
PY 2014
VL 9040
AR 90400R
DI 10.1117/12.2043275
PG 8
WC Optics; Radiology, Nuclear Medicine & Medical Imaging
SC Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BA9FB
UT WOS:000339329900023
ER
PT S
AU Zhang, ZG
Huang, LJ
AF Zhang, Zhigang
Huang, Lianjie
BE Bosch, JG
Doyley, MM
TI Efficient implementation of ultrasound waveform tomography using data
blending
SO MEDICAL IMAGING 2014: ULTRASONIC IMAGING AND TOMOGRAPHY
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Medical Imaging - Ultrasonic Imaging and Tomography
CY FEB 18-20, 2014
CL San Diego, CA
SP SPIE, Modus Med Devices Inc, XIFIN Inc, Ventana Med Syst Inc, Intrace Med
DE Breast cancer; data blending; synthetic-aperture ultrasound; ultrasound
waveform tomography
ID INVERSION
AB Ultrasound waveform tomography is a promising tool for breast cancer characterization. However, the method is very time-consuming for large datasets acquired using a synthetic-aperture ultrasound tomography system consisting of hundreds to thousands of transducer elements. We introduce a data blending approach to ultrasound waveform tomography to greatly improves the computational efficiency. This method simultaneously simulates ultrasound waves emitted from multiple transducer elements. A random phase is applied to each source to distinguish the effect of different sources. The random phase helps eliminate the unwanted cross interference produced by different sources. This approach greatly reduces the computation time of ultrasound waveform tomography to one tenth of that for the original ultrasound waveform tomography.
C1 [Zhang, Zhigang; Huang, Lianjie] Los Alamos Natl Lab, 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 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 978-0-8194-9833-5
J9 PROC SPIE
PY 2014
VL 9040
AR 90401O
DI 10.1117/12.2043133
PG 9
WC Optics; Radiology, Nuclear Medicine & Medical Imaging
SC Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BA9FB
UT WOS:000339329900055
ER
PT S
AU Wang, HX
Alp, EE
Yoda, Y
Cramer, SP
AF Wang, Hongxin
Alp, Esen Ercan
Yoda, Yoshitaka
Cramer, Stephen P.
BE FontecillaCamps, JC
Nicolet, Y
TI A Practical Guide for Nuclear Resonance Vibrational Spectroscopy (NRVS)
of Biochemical Samples and Model Compounds
SO METALLOPROTEINS: METHODS AND PROTOCOLS
SE Methods in Molecular Biology
LA English
DT Article; Book Chapter
DE Nuclear resonance vibrational spectroscopy; NRVS; Metalloproteins;
Mossbauer
ID DENSITY-OF-STATES; SCATTERING
AB Nuclear resonance vibrational spectroscopy (NRVS) has been used by physicists for many years. However, it is still a relatively new technique for bioinorganic users. This technique yields a vibrational spectrum for a specific element, which can be easily interpreted. Furthermore, isotopic labeling allows for site-specific experiments. In this chapter, we discuss how to access specific beamlines, what kind of equipment is used in NRVS, and how the sample should be prepared and the data collected and analyzed.
C1 [Wang, Hongxin] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA.
[Alp, Esen Ercan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Yoda, Yoshitaka] JASRI, SPring 8, Koto, Hyogo Prefectur, Japan.
[Cramer, Stephen P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
RP Wang, HX (reprint author), Univ Calif Davis, Dept Chem, Davis, CA 95616 USA.
FU NIBIB NIH HHS [R01 EB001962, EB-001962]; NIGMS NIH HHS [R01 GM065440,
GM-65440]
NR 7
TC 4
Z9 4
U1 0
U2 3
PU HUMANA PRESS INC
PI TOTOWA
PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA
SN 1064-3745
BN 978-1-62703-794-5; 978-1-62703-793-8
J9 METHODS MOL BIOL
JI Methods Mol. Biol.
PY 2014
VL 1122
BP 125
EP 137
DI 10.1007/978-1-62703-794-5_9
D2 10.1007/978-1-62703-794-5
PG 13
WC Biochemical Research Methods; Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA BA8QX
UT WOS:000338496700010
PM 24639257
ER
PT S
AU Ward, J
Ollmann, E
Maxey, E
Finney, LA
AF Ward, Jesse
Ollmann, Emily
Maxey, Evan
Finney, Lydia A.
BE FontecillaCamps, JC
Nicolet, Y
TI X-Ray Absorption Spectroscopy of Metalloproteins
SO METALLOPROTEINS: METHODS AND PROTOCOLS
SE Methods in Molecular Biology
LA English
DT Article; Book Chapter
DE X-ray absorption spectroscopy; Metalloprotein; XANES; EXAFS; Imaging;
Electrophoresis; Copper; Zinc
ID ZINC SITES; EXAFS; FLUORESCENCE; SPECTRA; ELECTROPHORESIS; COORDINATION;
PROTEINS; METALS; COPPER
AB Metalloproteins are enormously important in biology. While a variety of techniques exist for studying metals in biology, X-ray absorption spectroscopy is particularly useful in that it can determine the local electronic and physical structure around the metal center, and is one of the few avenues for studying "spectroscopically silent" metal ions like Zn(II) and Cu(I) that have completely filled valence bands. While X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) are useful for studying metalloprotein structure, they suffer the limitation that the detected signal is an average of all the various metal centers in the sample, which limits its usefulness for studying metal centers in situ or in cell lysates. It would be desirable to be able to separate the various proteins in a mixture prior to performing X-ray absorption studies, so that the derived signal is from one species only. Here we describe a method for performing X-ray absorption spectroscopy on protein bands following electrophoretic separation and western blotting.
C1 [Ward, Jesse; Ollmann, Emily; Maxey, Evan; Finney, Lydia A.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
RP Ward, J (reprint author), Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
NR 26
TC 0
Z9 0
U1 0
U2 8
PU HUMANA PRESS INC
PI TOTOWA
PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA
SN 1064-3745
BN 978-1-62703-794-5; 978-1-62703-793-8
J9 METHODS MOL BIOL
JI Methods Mol. Biol.
PY 2014
VL 1122
BP 171
EP 187
DI 10.1007/978-1-62703-794-5_12
D2 10.1007/978-1-62703-794-5
PG 17
WC Biochemical Research Methods; Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA BA8QX
UT WOS:000338496700013
PM 24639260
ER
PT S
AU Guardo, GL
Lamia, L
Spitaleri, C
Gulino, M
Tang, XD
Bucher, B
Burjan, V
Cherubini, S
Couder, M
Davies, P
deBoer, R
Fang, X
Goldberg, VZ
Hons, Z
Kroha, V
Lamm, L
La Cognata, M
Li, C
Ma, C
Mrazek, J
Mukhamedzhanov, AM
Notani, M
OBrien, S
Pizzone, RG
Rapisarda, GG
Roberson, D
Sergi, ML
Tan, W
Thompson, IJ
Wiescher, M
AF Guardo, G. L.
Lamia, L.
Spitaleri, C.
Gulino, M.
Tang, X. D.
Bucher, B.
Burjan, V.
Cherubini, S.
Couder, M.
Davies, P.
deBoer, R.
Fang, X.
Goldberg, V. Z.
Hons, Z.
Kroha, V.
Lamm, L.
La Cognata, M.
Li, C.
Ma, C.
Mrazek, J.
Mukhamedzhanov, A. M.
Notani, M.
OBrien, S.
Pizzone, R. G.
Rapisarda, G. G.
Roberson, D.
Sergi, M. L.
Tan, W.
Thompson, I. J.
Wiescher, M.
BE Jeong, S
Imai, N
Miyatake, H
Kajino, T
TI Study of the O-17(n,alpha)C-14 reaction: extension of the Trojan Horse
Method to neutron induced reactions
SO ORIGIN OF MATTER AND EVOLUTION OF GALAXIES 2013
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 12th International Symposium on Origin of Matter and Evolution of
Galaxies (OMEG)
CY NOV 18-21, 2013
CL High Energy Accelerator Res Org, Tsukuba, JAPAN
SP Univ Tokyo, Ctr Nucl Study, RIKEN Nishina Ctr, Natl Astron Observ Japan, Osaka Univ, Res Ctr Nucl Phys, Tsukuba Univ, Tohoku Univ, Rare Isotope Sci Project, Inst Basic Sci, China Inst Atom Energy
HO High Energy Accelerator Res Org
DE Nuclear Astrophysics; Neutron induced reactions; Deuteron induced
reactions
ID NUCLEAR ASTROPHYSICS; CROSS-SECTION; S-PROCESS; ENERGIES; ELEMENTS;
STARS
AB The experimental study of the O-17(n,alpha)C-14 reaction has been performed in the energy range 0-350 k.eV. This reaction could play an important role in explaining heavy elements (s-process) nucleosynthesis in various astrophysical scenario. To overcome the practical problems arising from the neutrons production, a new application of the Trojan Horse Method has been recently suggested. In more details, the 170(n,a)14C reaction has been studied using the quasi-free H-2(O-17,alpha C-14)H-1 reaction, induced at an energy of 43.5 MeV. The measurement allows one to investigate the l=3, 75 keV resonance (E*=8.125 MeV , J(pi)=5(-)), absent in the available direct measurements because of centrifugal suppression effects.
C1 [Guardo, G. L.; Lamia, L.; Spitaleri, C.; Gulino, M.; Cherubini, S.; La Cognata, M.; Pizzone, R. G.; Rapisarda, G. G.; Sergi, M. L.] Ist Nazl Fis Nucl, Lab Nazl Sud, I-95129 Catania, Italy.
[Guardo, G. L.; Lamia, L.; Spitaleri, C.; Cherubini, S.; Rapisarda, G. G.; Sergi, M. L.] Univ Catania, Dept Phys & Astron, Catania, Italy.
[Gulino, M.] Univ Enna Kore, Enna, Italy.
[Tang, X. D.; Bucher, B.; Couder, M.; Davies, P.; deBoer, R.; Fang, X.; Lamm, L.; Ma, C.; Notani, M.; OBrien, S.; Roberson, D.; Tan, W.; Wiescher, M.] Univ Notre Dame, Dept Phys, Notre Dame, IN USA.
[Tang, X. D.; Bucher, B.; Couder, M.; Davies, P.; deBoer, R.; Fang, X.; Lamm, L.; Ma, C.; Notani, M.; OBrien, S.; Roberson, D.; Tan, W.; Wiescher, M.] Univ Notre Dame, Joint Inst Nucl Astrophys, Notre Dame, IN USA.
[Burjan, V.; Hons, Z.; Kroha, V.; Mrazek, J.] ASCR, Nucl Phys Inst, Rez, Czech Republic.
[Goldberg, V. Z.; Mukhamedzhanov, A. M.] Texas A&M Univ, Inst Cyclotron, College Stn, TX USA.
[Li, C.] China Inst Atom Energy, Beijing, Peoples R China.
[Thompson, I. J.] Lawrence Livermore Natl Lab, Livermore, CA USA.
RP Guardo, GL (reprint author), Ist Nazl Fis Nucl, Lab Nazl Sud, I-95129 Catania, Italy.
EM cherubini@lns.infn.it; rgpizzone@lns.infn.it
RI Burjan, Vaclav/H-1429-2014; Mrazek, Jaromir/H-1355-2014; Hons,
Zdenek/G-7846-2014; Couder, Manoel/B-1439-2009; Tan,
Wanpeng/A-4687-2008; Kroha, Vaclav/H-1504-2014; Pizzone,
Rosario/I-4527-2015; La Cognata, Marco/B-9641-2013; LAMIA,
LIVIO/J-9381-2015; Sergi, Maria Letizia /K-2321-2015; Rapisarda,
Giuseppe/K-2353-2015; Spitaleri, Claudio/K-3215-2015; Tang, Xiaodong
/F-4891-2016; Cherubini, Silvio/F-3503-2017;
OI Hons, Zdenek/0000-0002-3384-6198; Couder, Manoel/0000-0002-0636-744X;
Tan, Wanpeng/0000-0002-5930-1823; Pizzone, Rosario/0000-0003-2436-6640;
La Cognata, Marco/0000-0002-1819-4814; LAMIA, LIVIO/0000-0002-4055-0811;
Sergi, Maria Letizia /0000-0002-6631-0015; Rapisarda,
Giuseppe/0000-0003-4064-2609; Spitaleri, Claudio/0000-0001-6256-9727;
Cherubini, Silvio/0000-0002-1974-0389; Gulino,
Marisa/0000-0003-4125-9150
NR 24
TC 0
Z9 0
U1 1
U2 16
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1228-6
J9 AIP CONF PROC
PY 2014
VL 1594
BP 215
EP 219
DI 10.1063/1.4874071
PG 5
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA BA9MT
UT WOS:000339565500036
ER
PT J
AU Krawicz, A
Cedeno, D
Moore, GF
AF Krawicz, Alexandra
Cedeno, Diana
Moore, Gary F.
TI Energetics and efficiency analysis of a cobaloxime-modified
semiconductor under simulated air mass 1.5 illumination
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID SENSITIZED PHOTOELECTROCHEMICAL CELLS; SOLAR FUEL PRODUCTION; ARTIFICIAL
PHOTOSYNTHESIS; HYDROGEN-PRODUCTION; CHARGE SEPARATION;
ENERGY-CONVERSION; WATER REDUCTION; H-2 PRODUCTION; CATALYST; LIGHT
AB We report on the energetics and efficiency of a p-type (100) gallium phosphide (GaP) semiconductor functionalized with molecular hydrogen production catalysts via polymer grafting. The catalysts belong to the cobaloxime class of compounds that have recently shown promise in electrocatalysis and solar-to-fuel applications. Attachment of the complex to a semiconductor surface allows direct photoelectrochemical (PEC) measurements of performance. Under simulated air mass 1.5 illumination, the catalyst-modified photocathode yields a 0.92 mA cm(-2) current density when operating at the equilibrium potential for the hydrogen production half reaction. The open circuit photovoltage (V-OC) is 0.72 V vs. a reversible hydrogen electrode (RHE) and the fill factor (FF) is 0.33 (a 258% increase compared to polymer-modified electrodes, without cobaloxime treatment). The external quantum efficiency (EQE), measured under a reverse bias of +0.17 vs. RHE, shows a maximum of 67% under 310 nm illumination. Product analysis of the head-space gas yields a lower limit on the Faradaic efficiency of 88%. In addition, the near linear photoresponse of the current density upon increasing illumination indicates that photocarrier transport to the interface can limit performance. These results give insights into the design of improved photocatalytic constructs with additional performance gains.
C1 [Krawicz, Alexandra; Cedeno, Diana; Moore, Gary F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
RP Moore, GF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
EM gfmoore@lbl.gov
RI Moore, Gary/L-6828-2016
OI Moore, Gary/0000-0003-3369-9308
FU Office of Science of the U.S. Department of Energy [DE-SC0004993]
FX 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. The authors thank Mark Hettick for assistance
with the IPCE measurements, as well as valuable discussions and comments
regarding the manuscript.
NR 61
TC 23
Z9 23
U1 3
U2 37
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 30
BP 15818
EP 15824
DI 10.1039/c4cp00495g
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AM1SK
UT WOS:000339628400012
PM 24619031
ER
PT S
AU Baidoo, EEK
Xiao, YM
Dehesh, K
Keasling, JD
AF Baidoo, Edward E. K.
Xiao, Yanmei
Dehesh, Katayoon
Keasling, Jay D.
BE RodriguezConcepcion, M
TI Metabolite Profiling of Plastidial Deoxyxylulose-5-Phosphate Pathway
Intermediates by Liquid Chromatography and Mass Spectrometry
SO PLANT ISOPRENOIDS: METHODS AND PROTOCOLS
SE Methods in Molecular Biology
LA English
DT Article; Book Chapter
DE DXP pathway; MEP pathway; Intermediates; Metabolites; Quantification;
LC-MS
ID ELECTROSPRAY; TIME; BIOSYNTHESIS
AB Metabolite profiling is a powerful tool that enhances our understanding of complex regulatory processes and extends to the comparative analysis of plant gene function. However, at present, there are relatively few examples of metabolite profiling being used to characterize the regulatory aspects of the plastidial deoxyxylulose-5-phosphate (DXP) pathway in plants. Since the DXP pathway is one of two pathways in plants that are essential for isoprenoid biosynthesis, it is imperative that robust analytical methods be employed for the characterization of this metabolic pathway. Recently, liquid chromatography-mass spectrometry (LC-MS), in conjunction with traditional molecular biology approaches, established that the DXP pathway metabolite, methylerythritol cyclodiphosphate (MEcPP), previously known solely as an intermediate in the isoprenoid biosynthetic pathway, is a stress sensor that communicates environmental perturbations sensed by plastids to the nucleus, a process referred to as retrograde signaling. In this chapter, we describe two LC-MS methods from this study that can be broadly used to characterize DXP pathway intermediates.
C1 [Baidoo, Edward E. K.; Keasling, Jay D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Baidoo, Edward E. K.; Keasling, Jay D.] Joint BioEnergy Inst, Emeryville, CA USA.
[Xiao, Yanmei; Dehesh, Katayoon] Univ Calif Davis, Dept Plant Biol, Davis, CA 95616 USA.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA.
RP Baidoo, EEK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
RI Keasling, Jay/J-9162-2012;
OI Keasling, Jay/0000-0003-4170-6088; Xiao, Yanmei/0000-0002-3951-5787
FU NIGMS NIH HHS [R01 GM107311]
NR 22
TC 5
Z9 5
U1 1
U2 5
PU HUMANA PRESS INC
PI TOTOWA
PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA
SN 1064-3745
BN 978-1-4939-0606-2; 978-1-4939-0605-5
J9 METHODS MOL BIOL
JI Methods Mol. Biol.
PY 2014
VL 1153
BP 57
EP 76
DI 10.1007/978-1-4939-0606-2_5
D2 10.1007/978-1-4939-0606-2
PG 20
WC Biochemical Research Methods; Biochemistry & Molecular Biology; Plant
Sciences
SC Biochemistry & Molecular Biology; Plant Sciences
GA BA8QE
UT WOS:000338476600006
PM 24777790
ER
PT S
AU Munoz, A
Fuentes-Cabrera, M
AF Munoz, A.
Fuentes-Cabrera, M.
BE Manjon, FJ
Tiginyanu, I
Ursaki, V
TI Theoretical Ab Initio Calculations in Ordered-Vacancy Compounds at High
Pressures
SO PRESSURE-INDUCED PHASE TRANSITIONS IN AB2X4 CHALCOGENIDE COMPOUNDS
SE Springer Series in Materials Science
LA English
DT Article; Book Chapter
DE Ab initio; High pressure; Defect chalcopyrite; Defect stannite; Defect
famatinite; Pseudocubic chalcopyrite; Electronic; Dynamical; Elastic
properties
ID GENERALIZED GRADIENT APPROXIMATIONS; DEFECT CHALCOPYRITE COMPOUNDS;
TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; ELECTRONIC-PROPERTIES;
OPTICAL-PROPERTIES; BAND-GAPS; SEMICONDUCTORS; CDIN2SE4; CRYSTAL
AB Ab initio calculations within the Density Funtional Theory and the Density Functional Perturbation Theory of the defect chalcopyrite, defect stannite and pseudo-cubic chalcopyrite structures of AB(2)X(4) (X = S and Se) compounds are reported. The electronic, dynamical, and elastic properties under hydrostatic pressures are reviewed and discussed in relation with pressure-induced order-disorder phase transitions. Finally, as a matter of example, we present new results of a first-principles study of the pressure dependence of several properties for the pseudo-cubic chalcopyrite structure of CdIn2Se4. We found that the generalized Born stability criteria are violated above 11 GPa, thus PC-CdIn2Se4 becomes mechanically unstable. Furthermore, we found a phonon dynamical instability around 18 GPa; thus showing that PC-CdIn2Se4 becomes unstable at high pressures not only from the static but also from the dynamical point of view.
C1 [Munoz, A.] Univ La Laguna, Dept Fis Fundamental 2, Tenerife, Spain.
[Munoz, A.] Univ La Laguna, Inst Mat & Nanotecnol, Tenerife, Spain.
[Fuentes-Cabrera, M.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
RP Munoz, A (reprint author), Univ La Laguna, Dept Fis Fundamental 2, Tenerife, Spain.
EM amunoz@ull.edu.es; fuentescabma@ornl.gov
NR 60
TC 3
Z9 3
U1 1
U2 1
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0933-033X
BN 978-3-642-40367-5; 978-3-642-40366-8
J9 SPRINGER SER MATER S
PY 2014
VL 189
BP 185
EP 210
DI 10.1007/978-3-642-40367-5_7
D2 10.1007/978-3-642-40367-5
PG 26
WC Materials Science, Multidisciplinary; Optics
SC Materials Science; Optics
GA BA6HI
UT WOS:000337143200008
ER
PT S
AU Giannone, RJ
Dykstra, AB
AF Giannone, Richard J.
Dykstra, Andrew B.
BE Giannone, RJ
Dykstra, AB
TI Protein Affinity Tags Methods and Protocols Preface
SO PROTEIN AFFINITY TAGS: METHODS AND PROTOCOLS
SE Methods in Molecular Biology
LA English
DT Editorial Material; Book Chapter
C1 [Giannone, Richard J.] Oak Ridge Natl Lab, Div Chem Sci, Organ & Biol Mass Spectrometry Grp, Oak Ridge, TN 37830 USA.
[Dykstra, Andrew B.] Amgen Inc, Analyt Sci, West Greenwich, RI USA.
RP Giannone, RJ (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Organ & Biol Mass Spectrometry Grp, Oak Ridge, TN 37830 USA.
NR 0
TC 0
Z9 0
U1 0
U2 1
PU HUMANA PRESS INC
PI TOTOWA
PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA
SN 1064-3745
BN 978-1-4939-1034-2; 978-1-4939-1033-5
J9 METHODS MOL BIOL
JI Methods Mol. Biol.
PY 2014
VL 1177
BP V
EP VI
D2 10.1007/978-1-4939-1034-2
PG 2
WC Biochemical Research Methods; Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA BA8ET
UT WOS:000338028700001
ER
PT J
AU Lebonnois, S
Flasar, FM
Tokano, T
Newman, CE
AF Lebonnois, S.
Flasar, F. M.
Tokano, T.
Newman, C. E.
BE MullerWodarg, I
Griffith, CA
Lellouch, E
Cravens, TE
TI The general circulation of Titan's lower and middle atmosphere
SO TITAN: INTERIOR, SURFACE, ATMOSPHERE, AND SPACE ENVIRONMENT
SE Cambridge Planetary Science Series
LA English
DT Article; Book Chapter
ID VENUS-LIKE ATMOSPHERE; MERIDIONAL CIRCULATION; SURFACE TEMPERATURES;
ZONAL WINDS; EQUATORIAL SUPERROTATION; LATITUDINAL DISTRIBUTION;
INFRARED OBSERVATIONS; NUMERICAL-SIMULATION; HADLEY CIRCULATIONS;
SEASONAL-VARIATIONS
C1 [Lebonnois, S.] UPMC, CNRS, IPSL, Lab Meteorol Dynam, F-75252 Paris 05, France.
[Lebonnois, S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Flasar, F. M.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA.
[Tokano, T.] Univ Cologne, Inst Geophys & Meteorol, D-50923 Cologne, Germany.
[Newman, C. E.] Ashima Res, Pasadena, CA 91106 USA.
RP Lebonnois, S (reprint author), UPMC, CNRS, IPSL, Lab Meteorol Dynam, F-75252 Paris 05, France.
NR 186
TC 1
Z9 1
U1 2
U2 5
PU CAMBRIDGE UNIV PRESS
PI CAMBRIDGE
PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND
BN 978-0-521-19992-6
J9 CAMB PLANET
PY 2014
IS 14
BP 122
EP 157
PG 36
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA BA7OS
UT WOS:000337683300007
ER
PT J
AU Kaplan, GG
Konduru, K
Manangeeswaran, M
Jacques, J
Amharref, N
Nakamura, S
AF Kaplan, Gerardo G.
Konduru, Krishnamurthy
Manangeeswaran, Mohanraj
Jacques, Jerome
Amharref, Nadia
Nakamura, Siham
BE Thomas, HC
Lok, ASF
Locarnini, SA
Zuckerman, AJ
TI Structure, molecular virology, natural history, and experimental models
SO VIRAL HEPATITIS, 4TH EDITION
LA English
DT Article; Book Chapter
ID HEPATITIS-A-VIRUS; MONKEY KIDNEY-CELLS; CAP-INDEPENDENT TRANSLATION;
IRES-DEPENDENT TRANSLATION; HAVCR1 GENE HAPLOTYPES;
TRACT-BINDING-PROTEIN; SUBVIRAL PARTICLES; VIRAL-RNA;
GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE; MONOCLONAL-ANTIBODIES
AB Hepatitis A virus (HAV), a small, naked, single-stranded, positive RNA virus that belongs to the Picornaviridae, causes acute hepatitis in humans and nonhuman primates. HAV infection typically does not induce cytopathic effect in cell culture, and disease results from an immunopathogenic process that clears the virus without leaving chronic sequelae. HAV is transmitted through the oral-fecal route, but it is unknown how it reaches the liver. The pathogenic process of HAV is poorly understood. However, recent advances in the understanding of the effects of the interaction of HAV with its cellular receptor 1 (HAVCR1), which blocks the activation of T cell receptors and shuts off regulatory T cell (Treg) functions, help explain how HAV modulates the immune response to evade detection during its long incubation period and is cleared with limited liver damage. The shut-off of Treg functions may also explain the protective effect of HAV infection in the development of atopy and autoimmunity.
C1 [Kaplan, Gerardo G.] US FDA, Ctr Biol Evaluat & Res, Bethesda, MD 20892 USA.
[Konduru, Krishnamurthy] US FDA, Ctr Biol Evaluat & Res, Lab Emerging Pathogens, Bethesda, MD USA.
[Manangeeswaran, Mohanraj; Jacques, Jerome; Amharref, Nadia; Nakamura, Siham] US FDA, Ctr Biol Evaluat & Res, ORISE, Res Participat Program, Bethesda, MD USA.
RP Kaplan, GG (reprint author), US FDA, Ctr Biol Evaluat & Res, Bethesda, MD 20892 USA.
NR 99
TC 0
Z9 0
U1 1
U2 5
PU BLACKWELL SCIENCE PUBL
PI OXFORD
PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND
BN 978-0-470-67295-2
PY 2014
BP 29
EP 42
PG 14
WC Gastroenterology & Hepatology; Infectious Diseases; Virology
SC Gastroenterology & Hepatology; Infectious Diseases; Virology
GA BA5VL
UT WOS:000337034100004
ER
PT S
AU Miller, WH
AF Miller, William H.
BE Johnson, MA
Martinez, TJ
TI A Journey Through Chemical Dynamics
SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 65
SE Annual Review of Physical Chemistry
LA English
DT Review; Book Chapter
DE semiclassical theory; quantum reaction rate theory; semiclassical
transition state theory; electronically nonadiabatic dynamics
ID TRANSITION-STATE THEORY; CLASSICAL S-MATRIX; KOHN VARIATIONAL PRINCIPLE;
MECHANICAL REACTIVE SCATTERING; NONADIABATIC QUANTUM DYNAMICS; BOLTZMANN
DENSITY-MATRIX; INTEGRAL CROSS-SECTIONS; REACTION-RATE CONSTANTS;
ACTION-ANGLE VARIABLES; INITIAL-VALUE METHODS
AB The charge with the invitation to write this autobiographical article was to describe what led me to a career in science and to choose the specific topics and scientific directions I have pursued. This is thus a very personal story and by no means a scientific review of the work that is mentioned. As will be clear, this journey was not an orderly, well-thought-out plan, but just "happened," one step after the other.
C1 [Miller, William H.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Miller, William H.] Univ Calif Berkeley, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA.
[Miller, William H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Miller, WH (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM millerwh@berkeley.edu
NR 67
TC 1
Z9 1
U1 10
U2 49
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0066-426X
BN 978-0-8243-1065-3
J9 ANNU REV PHYS CHEM
JI Annu. Rev. Phys. Chem.
PY 2014
VL 65
BP 1
EP 19
DI 10.1146/annurev-physchem-040513-103720
PG 19
WC Chemistry, Physical
SC Chemistry
GA BA4XS
UT WOS:000336426700001
PM 24689795
ER
PT S
AU Demerdash, O
Yap, EH
Head-Gordon, T
AF Demerdash, Omar
Yap, Eng-Hui
Head-Gordon, Teresa
BE Johnson, MA
Martinez, TJ
TI Advanced Potential Energy Surfaces for Condensed Phase Simulation
SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 65
SE Annual Review of Physical Chemistry
LA English
DT Review; Book Chapter
DE many-body interactions; polarization; Poisson-Boltzmann; electrostatics;
empirical force field
ID POISSON-BOLTZMANN EQUATION; POLARIZABLE FORCE-FIELD; MOLECULAR-DYNAMICS
SIMULATIONS; CLASSICAL DRUDE OSCILLATORS; BOUNDARY-ELEMENT SOLUTION;
INITIO QUANTUM-CHEMISTRY; SOLVATION FREE-ENERGIES; FLUCTUATING CHARGE;
LIQUID WATER; ATOMIC MULTIPOLE
AB Computational modeling at the atomistic and mesoscopic levels has undergone dramatic development in the past 10 years to meet the challenge of adequately accounting for the many-body nature of intermolecular interactions. At the heart of this challenge is the ability to identify the strengths and specific limitations of pairwise-additive interactions, to improve classical models to explicitly account for many-body effects, and consequently to enhance their ability to describe a wider range of reference data and build confidence in their predictive capacity. However, the corresponding computational cost of these advanced classical models increases significantly enough that statistical convergence of condensed phase observables becomes more difficult to achieve. Here we review a hierarchy of potential energy surface models used in molecular simulations for systems withmany degrees of freedom that best meet the trade-off between accuracy and computational speed in order to define a sweet spot for a given scientific problem of interest.
C1 [Demerdash, Omar; Head-Gordon, Teresa] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Chem, Berkeley, CA 94720 USA.
[Yap, Eng-Hui; Head-Gordon, Teresa] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Bioengn, Berkeley, CA 94720 USA.
[Head-Gordon, Teresa] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Head-Gordon, Teresa] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Demerdash, O (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Chem, Berkeley, CA 94720 USA.
EM thg@berkeley.edu
NR 148
TC 23
Z9 23
U1 8
U2 42
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0066-426X
BN 978-0-8243-1065-3
J9 ANNU REV PHYS CHEM
JI Annu. Rev. Phys. Chem.
PY 2014
VL 65
BP 149
EP 174
DI 10.1146/annurev-physchem-040412-110040
PG 26
WC Chemistry, Physical
SC Chemistry
GA BA4XS
UT WOS:000336426700008
PM 24328448
ER
PT S
AU Savara, A
Weitz, E
AF Savara, Aditya
Weitz, Eric
BE Johnson, MA
Martinez, TJ
TI Elucidation of Intermediates and Mechanisms in Heterogeneous Catalysis
Using Infrared Spectroscopy
SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 65
SE Annual Review of Physical Chemistry
LA English
DT Review; Book Chapter
DE deNO(x); vibrational spectroscopy; adsorbates; in situ; DRIFTS; IRRAS
ID SUM-FREQUENCY GENERATION; REFLECTION-ABSORPTION SPECTROSCOPY;
TRANSITION-METAL SURFACES; TEMPERATURE CO OXIDATION; NOX TRAP CATALYSTS;
FAST SCR REACTION; FT-IR EMISSION; IN-SITU; SELECTION RULE; VIBRATIONAL
SPECTROSCOPY
AB Infrared spectroscopy has a long history as a tool for the identification of chemical compounds. More recently, various implementations of infrared spectroscopy have been successfully applied to studies of heterogeneous catalytic reactions with the objective of identifying intermediates and determining catalytic reaction mechanisms. We discuss selective applications of these techniques with a focus on several heterogeneous catalytic reactions, including hydrogenation, deNO(x), water-gas shift, and reverse-water-gas shift. The utility of using isotopic substitutions and other techniques in tandem with infrared spectroscopy is discussed. We comment on the modes of implementation and the advantages and disadvantages of the various infrared techniques. We also note future trends and the role of computational calculations in such studies. The infrared techniques considered are transmission Fourier transform infrared spectroscopy, infrared reflection-absorption spectroscopy, polarization-modulation infrared reflection-absorption spectroscopy, sum-frequency generation, diffuse reflectance infrared Fourier transform spectroscopy, attenuated total reflectance, infrared emission spectroscopy, photoacoustic infrared spectroscopy, and surface-enhanced infrared absorption spectroscopy.
C1 [Savara, Aditya] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37830 USA.
[Weitz, Eric] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
[Weitz, Eric] Northwestern Univ, Catalysis Ctr, Evanston, IL 60208 USA.
RP Savara, A (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37830 USA.
EM savaraa@ornl.gov; weitz@northwestern.edu
RI Savara, Aditya (Ashi)/A-8831-2010
OI Savara, Aditya (Ashi)/0000-0002-1937-2571
NR 162
TC 7
Z9 7
U1 26
U2 101
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0066-426X
BN 978-0-8243-1065-3
J9 ANNU REV PHYS CHEM
JI Annu. Rev. Phys. Chem.
PY 2014
VL 65
BP 249
EP 273
DI 10.1146/annurev-physchem-040513-103647
PG 25
WC Chemistry, Physical
SC Chemistry
GA BA4XS
UT WOS:000336426700012
PM 24689797
ER
PT S
AU Xu, XF
Ting, CL
Kusaka, I
Wang, ZG
AF Xu, Xiaofei
Ting, Christina L.
Kusaka, Isamu
Wang, Zhen-Gang
BE Johnson, MA
Martinez, TJ
TI Nucleation in Polymers and Soft Matter
SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 65
SE Annual Review of Physical Chemistry
LA English
DT Review; Book Chapter
DE minimum free energy path; binary mixtures; microphase separation;
membrane fusion; membrane pore formation; membrane rupture
ID DIBLOCK COPOLYMER MELTS; DENSITY-FUNCTIONAL THEORY;
MONTE-CARLO-SIMULATION; SELF-CONSISTENT-FIELD; TO-COIL TRANSITION;
MOLECULAR-DYNAMICS SIMULATIONS; POLYISOPRENE-BLOCK-POLYSTYRENE;
IDENTIFYING PHYSICAL CLUSTERS; ORDER-DISORDER TRANSITIONS; PROTEIN
CRYSTAL NUCLEATION
AB Nucleation is a ubiquitous phenomenon in many physical, chemical, and biological processes. In this review, we describe recent progress on the theoretical study of nucleation in polymeric fluids and soft matter, including binary mixtures (polymer blends, polymers in poor solvents, compressible polymer-small molecule mixtures), block copolymer melts, and lipid membranes. We discuss the methodological development for studying nucleation as well as novel insights and new physics obtained in the study of the nucleation behavior in these systems.
C1 [Xu, Xiaofei; Wang, Zhen-Gang] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA.
[Ting, Christina L.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Kusaka, Isamu] Ohio State Univ, Koffolt Labs, William G Lowrie Dept Chem & Biomol Engn, Columbus, OH 43210 USA.
RP Xu, XF (reprint author), CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA.
EM zgw@caltech.edu
NR 153
TC 6
Z9 6
U1 8
U2 63
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0066-426X
BN 978-0-8243-1065-3
J9 ANNU REV PHYS CHEM
JI Annu. Rev. Phys. Chem.
PY 2014
VL 65
BP 449
EP 475
DI 10.1146/annurev-physchem-032511-143750
PG 27
WC Chemistry, Physical
SC Chemistry
GA BA4XS
UT WOS:000336426700020
PM 24689799
ER
PT S
AU Jesse, S
Vasudevan, RK
Collins, L
Strelcov, E
Okatan, MB
Belianinov, A
Baddorf, AP
Proksch, R
Kalinin, SV
AF Jesse, S.
Vasudevan, R. K.
Collins, L.
Strelcov, E.
Okatan, M. B.
Belianinov, A.
Baddorf, A. P.
Proksch, R.
Kalinin, S. V.
BE Johnson, MA
Martinez, TJ
TI Band Excitation in Scanning Probe Microscopy: Recognition and Functional
Imaging
SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 65
SE Annual Review of Physical Chemistry
LA English
DT Review; Book Chapter
DE SPM; ESM; D-PFM
ID ATOMIC-FORCE MICROSCOPY; ACOUSTIC MICROSCOPY; FERROELECTRIC MATERIALS;
CONTACT RESONANCE; NANOMETER RESOLUTION; ION DIFFUSION; NANOSCALE;
LITHIUM; SPECTROSCOPY; INDENTATION
AB Field confinement at the junction between a biased scanning probe microscope's tip and solid surface enables local probing of various bias-induced transformations, such as polarization switching, ionic motion, and electrochemical reactions. The nanoscale size of the biased region, smaller or comparable to that of features such as grain boundaries and dislocations, potentially allows for the study of kinetics and thermodynamics at the level of a single defect. In contrast to classical statistically averaged approaches, this approach allows one to link structure to functionality and deterministically decipher associated mesoscopic and atomistic mechanisms. Furthermore, responses measured as a function of frequency and bias can serve as a fingerprint of local material functionality, allowing for local recognition imaging of inorganic and biological systems. This article reviews current progress in multidimensional scanning probe microscopy techniques based on band excitation time and voltage spectroscopies, including discussions on data acquisition, dimensionality reduction, and visualization, along with future challenges and opportunities for the field.
C1 [Jesse, S.; Vasudevan, R. K.; Collins, L.; Strelcov, E.; Okatan, M. B.; Belianinov, A.; Baddorf, A. P.; Kalinin, S. V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Proksch, R.] Asylum Res, Santa Barbara, CA 93117 USA.
RP Jesse, S (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
EM sjesse@ornl.gov
RI Vasudevan, Rama/Q-2530-2015; Kalinin, Sergei/I-9096-2012; Jesse,
Stephen/D-3975-2016; Okatan, M. Baris/E-1913-2016; Baddorf,
Arthur/I-1308-2016;
OI Vasudevan, Rama/0000-0003-4692-8579; Kalinin,
Sergei/0000-0001-5354-6152; Jesse, Stephen/0000-0002-1168-8483; Okatan,
M. Baris/0000-0002-9421-7846; Baddorf, Arthur/0000-0001-7023-2382;
Belianinov, Alex/0000-0002-3975-4112
NR 94
TC 18
Z9 18
U1 6
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 978-0-8243-1065-3
J9 ANNU REV PHYS CHEM
JI Annu. Rev. Phys. Chem.
PY 2014
VL 65
BP 519
EP 536
DI 10.1146/annurev-physchem-040513-103609
PG 18
WC Chemistry, Physical
SC Chemistry
GA BA4XS
UT WOS:000336426700023
PM 24689800
ER
PT J
AU Setyan, A
Song, C
Merkel, M
Knighton, WB
Onasch, TB
Canagaratna, MR
Worsnop, DR
Wiedensohler, A
Shilling, JE
Zhang, Q
AF Setyan, A.
Song, C.
Merkel, M.
Knighton, W. B.
Onasch, T. B.
Canagaratna, M. R.
Worsnop, D. R.
Wiedensohler, A.
Shilling, J. E.
Zhang, Q.
TI Chemistry of new particle growth in mixed urban and biogenic emissions -
insights from CARES
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID AEROSOL MASS-SPECTROMETER; NUMBER SIZE DISTRIBUTIONS; SULFURIC-ACID;
NUCLEATION EVENTS; CHEMICAL-COMPOSITION; BOREAL FOREST; SUBMICRON
PARTICLES; ORGANIC-COMPOUNDS; HIGH-RESOLUTION; BOUNDARY-LAYER
AB Regional new particle formation and growth events (NPEs) were observed on most days over the Sacramento and western Sierra foothills area of California in June 2010 during the Carbonaceous Aerosols and Radiative Effect Study (CARES). Simultaneous particle measurements at both the T0 (Sacramento, urban site) and the T1 (Cool, rural site located similar to 40 km northeast of Sacramento) sites of CARES indicate that the NPEs usually occurred in the morning with the appearance of an ultrafine mode at similar to 15 nm (in mobility diameter, D-m, measured by a mobility particle size spectrometer operating in the range 10-858 nm) followed by the growth of this modal diameter to similar to 50 nm in the afternoon. These events were generally associated with southwesterly winds bringing urban plumes from Sacramento to the T1 site. The growth rate was on average higher at T0 (7.1 +/- 2.7 nm h(-1)) than at T1 (6.2 +/- 2.5 nm h(-1)), likely due to stronger anthropogenic influences at T0. Using a high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS), we investigated the evolution of the size-resolved chemical composition of new particles at T1. Our results indicate that the growth of new particles was driven primarily by the condensation of oxygenated organic species and, to a lesser extent, ammonium sulfate. New particles appear to be fully neutralized during growth, consistent with high NH3 concentration in the region. Nitrogen-containing organic ions (i.e., CHN+, CH4N+, C2H3N+, and C2H4N+) that are indicative of the presence of alkyl-amine species in submicrometer particles enhanced significantly during the NPE days, suggesting that amines might have played a role in these events. Our results also indicate that the bulk composition of the ultrafine mode organics during NPEs was very similar to that of anthropogenically influenced secondary organic aerosol (SOA) observed in transported urban plumes. In addition, the concentrations of species representative of urban emissions (e. g., black carbon, CO, NOx, and toluene) were significantly higher whereas the photo-oxidation products of biogenic VOCs (volatile organic compounds) and the biogenically influenced SOA also increased moderately during the NPE days compared to the non-event days. These results indicate that the frequently occurring NPEs over the Sacramento and Sierra Nevada regions were mainly driven by urban plumes from Sacramento and the San Francisco Bay Area, and that the interaction of regional biogenic emissions with the urban plumes has enhanced the new particle growth. This finding has important implications for quantifying the climate impacts of NPEs on global scale.
C1 [Setyan, A.; Zhang, Q.] Univ Calif Davis, Dept Environm Toxicol, Davis, CA 95616 USA.
[Song, C.; Shilling, J. E.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Merkel, M.; Wiedensohler, A.] Leibniz Inst Tropospher Res, D-04318 Leipzig, Germany.
[Knighton, W. B.] Montana State Univ, Bozeman, MT 59717 USA.
[Onasch, T. B.; Canagaratna, M. R.; Worsnop, D. R.] Aerodyne Res Inc, Billerica, MA 01821 USA.
[Worsnop, D. R.] Univ Helsinki, Dept Phys, Helsinki 00014, Finland.
RP Zhang, Q (reprint author), Univ Calif Davis, Dept Environm Toxicol, 1 Shields Ave, Davis, CA 95616 USA.
EM dkwzhang@ucdavis.edu
RI Setyan, Ari/C-4025-2011; Zhang, Qi/F-9653-2010; Worsnop,
Douglas/D-2817-2009; Shilling, John/L-6998-2015
OI Setyan, Ari/0000-0002-9078-6478; Worsnop, Douglas/0000-0002-8928-8017;
Shilling, John/0000-0002-3728-0195
FU US Department of Energy (DOE); Office of Science (BER), Atmospheric
System Research Program [DE-FG02-11 ER65293]; California Air Resources
Board (CARB) [10-305]; California Agricultural Experiment Station
[CA-DETX-2102-H]
FX This research was supported by the US Department of Energy (DOE), the
Office of Science (BER), Atmospheric System Research Program, grant No.
DE-FG02-11 ER65293, the California Air Resources Board (CARB), Agreement
No. 10-305, and the California Agricultural Experiment Station, Project
CA-DETX-2102-H.
NR 70
TC 19
Z9 19
U1 5
U2 72
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 2014
VL 14
IS 13
BP 6477
EP 6494
DI 10.5194/acp-14-6477-2014
PG 18
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AL6LR
UT WOS:000339244600001
ER
PT J
AU Jaars, K
Beukes, JP
van Zyl, PG
Venter, AD
Josipovic, M
Pienaar, JJ
Vakkari, V
Aaltonen, H
Laakso, H
Kulmala, M
Tiitta, P
Guenther, A
Hellen, H
Laakso, L
Hakola, H
AF Jaars, K.
Beukes, J. P.
van Zyl, P. G.
Venter, A. D.
Josipovic, M.
Pienaar, J. J.
Vakkari, V.
Aaltonen, H.
Laakso, H.
Kulmala, M.
Tiitta, P.
Guenther, A.
Hellen, H.
Laakso, L.
Hakola, H.
TI Ambient aromatic hydrocarbon measurements at Welgegund, South Africa
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID VOLATILE ORGANIC-COMPOUNDS; INITIATIVE SAFARI 2000; LEAF-LEVEL
MEASUREMENTS; NONMETHANE HYDROCARBONS; ATMOSPHERIC CHEMISTRY; SAVANNA
ENVIRONMENT; URBAN ATMOSPHERE; FORMATION EVENTS; O-CRESOL; P-CRESOL
AB Aromatic hydrocarbons are associated with direct adverse human health effects and can have negative impacts on ecosystems due to their toxicity, as well as indirect negative effects through the formation of tropospheric ozone and secondary organic aerosol, which affect human health, crop production and regional climate. Measurements of aromatic hydrocarbons were conducted at the Welgegund measurement station (South Africa), which is considered to be a regionally representative background site. However, the site is occasionally impacted by plumes from major anthropogenic source regions in the interior of South Africa, which include the western Bushveld Igneous Complex (e. g. platinum, base metal and ferrochrome smelters), the eastern Bushveld Igneous Complex (platinum and ferrochrome smelters), the Johannesburg-Pretoria metropolitan conurbation (> 10 million people), the Vaal Triangle (e. g. petrochemical and pyrometallurgical industries), the Mpumalanga Highveld (e. g. coal-fired power plants and petrochemical industry) and also a region of anticyclonic recirculation of air mass over the interior of South Africa. The aromatic hydrocarbon measurements were conducted with an automated sampler on TenaxTA and Carbopack-B adsorbent tubes with heated inlet for 1 year. Samples were collected twice a week for 2 h during daytime and 2 h during night-time. A thermal desorption unit, connected to a gas chromatograph and a mass selective detector was used for sample preparation and analysis. Results indicated that the monthly median (mean) total aromatic hydrocarbon concentrations ranged between 0.01 (0.011) and 3.1 (3.2) ppb. Benzene levels did not exceed the local air quality standard limit, i.e. annual mean of 1.6 ppb. Toluene was the most abundant compound, with an annual median (mean) concentration of 0.63 (0.89) ppb. No statistically significant differences in the concentrations measured during daytime and night-time were found, and no distinct seasonal patterns were observed. Air mass back trajectory analysis indicated that the lack of seasonal cycles could be attributed to patterns determining the origin of the air masses sampled. Aromatic hydrocarbon concentrations were in general significantly higher in air masses that passed over anthro-pogenically impacted regions. Inter-compound correlations and ratios gave some indications of the possible sources of the different aromatic hydrocarbons in the source regions defined in the paper. The highest contribution of aromatic hydrocarbon concentrations to ozone formation potential was also observed in plumes passing over anthro-pogenically impacted regions.
C1 [Jaars, K.; Beukes, J. P.; van Zyl, P. G.; Venter, A. D.; Josipovic, M.; Pienaar, J. J.; Tiitta, P.; Laakso, L.] North West Univ, Unit Environm Sci & Management, Potchefstroom, South Africa.
[Vakkari, V.; Aaltonen, H.; Hellen, H.; Laakso, L.; Hakola, H.] Finnish Meteorol Inst, FIN-00101 Helsinki, Finland.
[Vakkari, V.; Laakso, H.; Kulmala, M.] Univ Helsinki, Dept Phys, Helsinki, Finland.
[Tiitta, P.] Univ Eastern Finland, Dept Environm Sci, Fine Particle & Aerosol Technol Lab, Joensuu, Finland.
[Guenther, A.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP van Zyl, PG (reprint author), North West Univ, Unit Environm Sci & Management, Potchefstroom, South Africa.
EM pieter.vanzyl@nwu.ac.za
RI Hellen, Heidi/J-5313-2014; Hakola, Hannele/N-7502-2014; Beukes,
Johan/A-4868-2012; Guenther, Alex/B-1617-2008; Kulmala,
Markku/I-7671-2016; Jaars, Kerneels/L-7395-2016; Josipovic,
Miroslav/A-7230-2017
OI van Zyl, Pieter/0000-0003-1470-3359; Beukes, Johan/0000-0003-3780-4929;
Guenther, Alex/0000-0001-6283-8288; Kulmala, Markku/0000-0003-3464-7825;
FU Finnish Academy [132640]; University of Helsinki; Finnish Meteorological
Institute; North-West University
FX The authors would like to express their appreciation for financial
support from the Finnish Academy (project no. 132640), the University of
Helsinki, the Finnish Meteorological Institute and the North-West
University. The authors also thank Diederik and Jackie Hattingh and
their family who are the owners of the commercial farm on which the
Welgegund measurement station is situated.
NR 83
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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 2014
VL 14
IS 13
BP 7075
EP 7089
DI 10.5194/acp-14-7075-2014
PG 15
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AL6LR
UT WOS:000339244600037
ER
PT J
AU He, C
Li, QB
Liou, KN
Zhang, J
Qi, L
Mao, Y
Gao, M
Lu, Z
Streets, DG
Zhang, Q
Sarin, MM
Ram, K
AF He, C.
Li, Q. B.
Liou, K. N.
Zhang, J.
Qi, L.
Mao, Y.
Gao, M.
Lu, Z.
Streets, D. G.
Zhang, Q.
Sarin, M. M.
Ram, K.
TI A global 3-D CTM evaluation of black carbon in the Tibetan Plateau
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID AEROSOL OPTICAL-PROPERTIES; BIOMASS BURNING EMISSIONS; ATMOSPHERIC BROWN
CLOUDS; UNITED-STATES; LIGHT-ABSORPTION; SNOW COVER;
CHEMICAL-COMPOSITION; METEOROLOGICAL DATA; HYDROLOGICAL CYCLE;
PREMONSOON SEASON
AB We systematically evaluate the black carbon (BC) simulations for 2006 over the Tibetan Plateau by a global 3-D chemical transport model (CTM) (GEOS-Chem) driven by GEOS-5 assimilated meteorological fields, using in situ measurements of BC in surface air, BC in snow, and BC absorption aerosol optical depth (AAOD). Using improved anthropogenic BC emission inventories for Asia that account for rapid technology renewal and energy consumption growth (Zhang et al., 2009; Lu et al., 2011) and improved global biomass burning emission inventories that account for small fires (van der Werf et al., 2010; Randerson et al., 2012), we find that model results of both BC in surface air and in snow are statistically in good agreement with observations (biases <15%) away from urban centers. Model results capture the seasonal variations of the surface BC concentrations at rural sites in the Indo-Gangetic Plain, but the observed elevated values in winter are absent. Modeled surface-BC concentrations are within a factor of 2 of the observations at remote sites. Part of the discrepancy is explained by the deficiencies of the meteorological fields over the complex Tibetan terrain. We find that BC concentrations in snow computed from modeled BC deposition and GEOS-5 precipitation are spatiotemporally consistent with observations (r = 0.85). The computed BC concentrations in snow are a factor of 2-4 higher than the observations at several Himalayan sites because of excessive BC deposition. The BC concentrations in snow are biased low by a factor of 2 in the central plateau, which we attribute to the absence of snow aging in the CTM and strong local emissions unaccounted for in the emission inventories. Modeled BC AAOD is more than a factor of 2 lower than observations at most sites, particularly to the northwest of the plateau and along the southern slopes of the Himalayas in winter and spring, which is attributable in large part to underestimated emissions and the assumption of external mixing of BC aerosols in the model. We find that assuming a 50% increase of BC absorption associated with internal mixing reduces the bias in modeled BC AAOD by 57% in the Indo-Gangetic Plain and the northeastern plateau and to the northeast of the plateau, and by 16% along the southern slopes of the Himalayas and to the northwest of the plateau. Both surface BC concentration and AAOD are strongly sensitive to anthropogenic emissions (from China and India), while BC concentration in snow is especially responsive to the treatment of BC aerosol aging. We find that a finer model resolution (0.5 degrees x 0.667 degrees nested over Asia) reduces the bias in modeled surface-BC concentration from 15 to 2 %. The large range and non-homogeneity of discrepancies between model results and observations of BC across the Tibetan Plateau undoubtedly undermine current assessments of the climatic and hydrological impact of BC in the region and thus warrant imperative needs for more extensive measurements of BC, including its concentration in surface air and snow, AAOD, vertical profile and deposition.
C1 [He, C.; Li, Q. B.; Liou, K. N.; Qi, L.; Mao, Y.; Gao, M.] Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Los Angeles, CA 90095 USA.
[He, C.; Li, Q. B.; Liou, K. N.; Qi, L.; Mao, Y.; Gao, M.] Univ Calif Los Angeles, Joint Inst Reg Earth Syst Sci & Engn, Los Angeles, CA USA.
[Zhang, J.] Peking Univ, Sch Phys, Dept Atmospher & Ocean Sci, Beijing 100871, Peoples R China.
[Lu, Z.; Streets, D. G.] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA.
[Zhang, Q.] Tsinghua Univ, Ctr Earth Syst Sci, Beijing 100084, Peoples R China.
[Sarin, M. M.] Phys Res Lab, Dept Geosci, Ahmadabad 380009, Gujarat, India.
[Ram, K.] Banaras Hindu Univ, Inst Environm & Sustainable Dev, Varanasi 221005, Uttar Pradesh, India.
RP He, C (reprint author), Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Los Angeles, CA 90095 USA.
EM cenlinhe@atmos.ucla.edu
RI Chem, GEOS/C-5595-2014; Zhang, Qiang/D-9034-2012
OI He, Cenlin/0000-0002-7367-2815;
FU Department of Science and Technology, Govt. of India under the INSPIRE
Faculty scheme [DST/INSPIRE Faculty Award/2012, IFA-AES-02]; NASA from
the Atmospheric Chemistry Modeling and Analysis Program (ACMAP)
[NNX09AF07G, NNX08AF64G]
FX We thank three reviewers for their constructive comments. We thank Paolo
Bonasoni, Angela Marinoni, Stefano Decesari, Krishnaswamy
Krishnamoorthy, Suresh Babu, and Monika Kopacz for offering useful
information. We thank James T. Randerson for providing biomass burning
emissions with small fires. K. Ram thanks Department of Science and
Technology, Govt. of India for providing financial support under the
INSPIRE Faculty scheme (no. DST/INSPIRE Faculty Award/2012; IFA-AES-02).
This study also used the data collected within the SHARE Project thanks
to contributions from the Italian National Research Council and the
Italian Ministry of Foreign Affairs. This study was funded by NASA
grants NNX09AF07G and NNX08AF64G from the Atmospheric Chemistry Modeling
and Analysis Program (ACMAP).
NR 123
TC 10
Z9 11
U1 8
U2 37
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2014
VL 14
IS 13
BP 7091
EP 7112
DI 10.5194/acp-14-7091-2014
PG 22
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AL6LR
UT WOS:000339244600038
ER
PT J
AU Ciais, P
Dolman, AJ
Bombelli, A
Duren, R
Peregon, A
Rayner, PJ
Miller, C
Gobron, N
Kinderman, G
Marland, G
Gruber, N
Chevallier, F
Andres, RJ
Balsamo, G
Bopp, L
Breon, FM
Broquet, G
Dargaville, R
Battin, TJ
Borges, A
Bovensmann, H
Buchwitz, M
Butler, J
Canadell, JG
Cook, RB
DeFries, R
Engelen, R
Gurney, KR
Heinze, C
Heimann, M
Held, A
Henry, M
Law, B
Luyssaert, S
Miller, J
Moriyama, T
Moulin, C
Myneni, RB
Nussli, C
Obersteiner, M
Ojima, D
Pan, Y
Paris, JD
Piao, SL
Poulter, B
Plummer, S
Quegan, S
Raymond, P
Reichstein, M
Rivier, L
Sabine, C
Schimel, D
Tarasova, O
Valentini, R
Wang, R
van der Werf, G
Wickland, D
Williams, M
Zehner, C
AF Ciais, P.
Dolman, A. J.
Bombelli, A.
Duren, R.
Peregon, A.
Rayner, P. J.
Miller, C.
Gobron, N.
Kinderman, G.
Marland, G.
Gruber, N.
Chevallier, F.
Andres, R. J.
Balsamo, G.
Bopp, L.
Breon, F. -M.
Broquet, G.
Dargaville, R.
Battin, T. J.
Borges, A.
Bovensmann, H.
Buchwitz, M.
Butler, J.
Canadell, J. G.
Cook, R. B.
DeFries, R.
Engelen, R.
Gurney, K. R.
Heinze, C.
Heimann, M.
Held, A.
Henry, M.
Law, B.
Luyssaert, S.
Miller, J.
Moriyama, T.
Moulin, C.
Myneni, R. B.
Nussli, C.
Obersteiner, M.
Ojima, D.
Pan, Y.
Paris, J. -D.
Piao, S. L.
Poulter, B.
Plummer, S.
Quegan, S.
Raymond, P.
Reichstein, M.
Rivier, L.
Sabine, C.
Schimel, D.
Tarasova, O.
Valentini, R.
Wang, R.
van der Werf, G.
Wickland, D.
Williams, M.
Zehner, C.
TI Current systematic carbon-cycle observations and the need for
implementing a policy-relevant carbon observing system
SO BIOGEOSCIENCES
LA English
DT Article
ID NET ECOSYSTEM EXCHANGE; HYPERSPECTRAL INFRARED OBSERVATIONS; EDDY
COVARIANCE MEASUREMENTS; GREENHOUSE-GAS EMISSIONS; COLUMN-AVERAGED
METHANE; FOSSIL-FUEL COMBUSTION; CO2 SURFACE FLUXES; ATMOSPHERIC CO2;
DIOXIDE EMISSIONS; FOREST BIOMASS
AB A globally integrated carbon observation and analysis system is needed to improve the fundamental understanding of the global carbon cycle, to improve our ability to project future changes, and to verify the effectiveness of policies aiming to reduce greenhouse gas emissions and increase carbon sequestration. Building an integrated carbon observation system requires transformational advances from the existing sparse, exploratory framework towards a dense, robust, and sustained system in all components: anthropogenic emissions, the atmosphere, the ocean, and the terrestrial biosphere. The paper is addressed to scientists, policymakers, and funding agencies who need to have a global picture of the current state of the (diverse) carbon observations. We identify the current state of carbon observations, and the needs and notional requirements for a global integrated carbon observation system that can be built in the next decade. A key conclusion is the substantial expansion of the ground-based observation networks required to reach the high spatial resolution for CO2 and CH4 fluxes, and for carbon stocks for addressing policy-relevant objectives, and attributing flux changes to underlying processes in each region. In order to establish flux and stock diagnostics over areas such as the southern oceans, tropical forests, and the Arctic, in situ observations will have to be complemented with remote-sensing measurements. Remote sensing offers the advantage of dense spatial coverage and frequent revisit. A key challenge is to bring remote-sensing measurements to a level of long-term consistency and accuracy so that they can be efficiently combined in models to reduce uncertainties, in synergy with ground-based data. Bringing tight observational constraints on fossil fuel and land use change emissions will be the biggest challenge for deployment of a policy-relevant integrated carbon observation system. This will require in situ and remotely sensed data at much higher resolution and density than currently achieved for natural fluxes, although over a small land area (cities, industrial sites, power plants), as well as the inclusion of fossil fuel CO2 proxy measurements such as radiocarbon in CO2 and carbon-fuel combustion tracers. Additionally, a policy-relevant carbon monitoring system should also provide mechanisms for reconciling regional top-down (atmosphere-based) and bottom-up (surface-based) flux estimates across the range of spatial and temporal scales relevant to mitigation policies. In addition, uncertainties for each observation data-stream should be assessed. The success of the system will rely on long-term commitments to monitoring, on improved international collaboration to fill gaps in the current observations, on sustained efforts to improve access to the different data streams and make databases interoperable, and on the calibration of each component of the system to agreed-upon international scales.
C1 [Ciais, P.; Peregon, A.; Chevallier, F.; Bopp, L.; Breon, F. -M.; Broquet, G.; Luyssaert, S.; Moulin, C.; Paris, J. -D.; Poulter, B.; Rivier, L.; Wang, R.] CEA CNRS UVSQ, Lab Sci Climat & Environm, UMR8212, F-91191 Gif Sur Yvette, France.
[Dolman, A. J.; van der Werf, G.] Vrije Univ Amsterdam, Amsterdam, Netherlands.
[Bombelli, A.; Valentini, R.] CMCC, Euromediterranean Ctr Climate Change, Div Climate Change Impacts Agr Forests & Nat Ecos, I-73100 Lecce, Italy.
[Duren, R.; Miller, C.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA.
[Rayner, P. J.; Dargaville, R.] Univ Melbourne, Sch Earth Sci, Melbourne, Vic 3010, Australia.
[Gobron, N.] Commiss European Communities, Joint Res Ctr, Inst Environm & Sustainabil, Global Environm Monitoring Unit, I-21020 Ispra, Italy.
[Kinderman, G.; Obersteiner, M.] IIASA, Laxenburg, Austria.
[Marland, G.] Appalachian State Univ, Res Inst Environm Energy & Econ, Boone, NC 28608 USA.
[Gruber, N.] Swiss Fed Inst Technol, Inst Biogeochem & Pollutant Dynam, Zurich, Switzerland.
[Gruber, N.] Swiss Fed Inst Technol, Ctr Climate Syst Modeling, Zurich, Switzerland.
[Andres, R. J.; Cook, R. B.] Oak Ridge Natl Lab, Carbon Dioxide Informat Anal Ctr, Oak Ridge, TN 37831 USA.
[Balsamo, G.; Engelen, R.] European Ctr Medium Range Weather Forecasts ECMWF, Reading RG2 9AX, Berks, England.
[Battin, T. J.] Univ Vienna, Dept Limnol, A-1090 Vienna, Austria.
[Borges, A.] Univ Liege, Chem Oceanog Unit, Inst Phys B5, B-4000 Cointe Ougree, Belgium.
[Bovensmann, H.; Buchwitz, M.] Univ Bremen, Inst Environm Phys IUP, D-28359 Bremen, Germany.
[Butler, J.; Miller, J.] NOAA, ESRL, Boulder, CO 80305 USA.
[Canadell, J. G.] CSIRO Marine & Atmospher Res, Canberra, ACT 2601, Australia.
[DeFries, R.] Boston Univ, Dept Geog & Environm, Boston, MA 02115 USA.
[Gurney, K. R.] Arizona State Univ, Sch Sustainabil, Sch Life Sci, Tempe, AZ 85287 USA.
[Heinze, C.] Univ Bergen, Inst Geophys, N-5007 Bergen, Norway.
[Heinze, C.] Bjerknes Ctr Climate Res, Bergen, Norway.
[Heinze, C.] Uni Res, Uni Bjerknes Ctr, Bergen, Norway.
[Heimann, M.; Reichstein, M.] Max Planck Inst Biogeochem, D-07745 Jena, Germany.
[Held, A.] CSIRO, AusCover Facil, TERN, Canberra, ACT 2601, Australia.
[Henry, M.] UN, Dept Forestry, Food & Agr Org, I-00153 Rome, Italy.
[Law, B.] Oregon State Univ, Dept Forest Ecosyst & Soc, Corvallis, OR 97331 USA.
[Miller, J.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA.
[Moriyama, T.] Japan Aerosp Explorat Agcy JAXA, Tokyo, Japan.
[Myneni, R. B.] Boston Univ, Dept Earth & Environm, Boston, MA 02215 USA.
[Nussli, C.] Thales Alenia Space, Toulouse, France.
[Ojima, D.] Colorado State Univ, Nat Resource Ecol Lab, Ft Collins, CO 80523 USA.
[Pan, Y.] US Forest Serv, USDA, Newtown Sq, PA 19073 USA.
[Piao, S. L.] Peking Univ, Dept Ecol, Beijing 100871, Peoples R China.
[Plummer, S.] European Space Agcy Harwell, ESA Climate Off, Didcot OX11 0QX, Oxon, England.
[Quegan, S.] Univ Sheffield, Ctr Terr Carbon Dynam, Sheffield S3 7RH, S Yorkshire, England.
[Raymond, P.] Yale Univ, Sch Forestry & Environm Studies, New Haven, CT 06511 USA.
[Sabine, C.] NOAA, Pacific Marine Environm Lab, Seattle, WA 98115 USA.
[Schimel, D.] Natl Ecol Observ Network, Boulder, CO 80301 USA.
[Tarasova, O.] World Meteorol Org, CH-1211 Geneva, Switzerland.
[Wickland, D.] NASA, Washington, DC 20546 USA.
[Williams, M.] Univ Edinburgh, Sch Geosci, Edinburgh EH9 3JN, Midlothian, Scotland.
[Zehner, C.] ESA ESRIN, Frascati, Italy.
RP Ciais, P (reprint author), CEA CNRS UVSQ, Lab Sci Climat & Environm, UMR8212, F-91191 Gif Sur Yvette, France.
EM philippe.ciais@lsce.ipsl.fr
RI Law, Beverly/G-3882-2010; Gruber, Nicolas/B-7013-2009; Myneni,
Ranga/F-5129-2012; Held, Andre/A-4672-2011; Pan, Yude/F-6145-2015;
Valentini, Riccardo/D-1226-2010; Canadell, Josep/E-9419-2010;
Chevallier, Frederic/E-9608-2016; Heimann, Martin/H-7807-2016; Ojima,
Dennis/C-5272-2016; Breon, Francois-Marie/M-4639-2016; Tarasova,
Olga/E-4318-2014; Bovensmann, Heinrich/P-4135-2016; Luyssaert,
Sebastiaan/F-6684-2011
OI Law, Beverly/0000-0002-1605-1203; Dargaville, Roger/0000-0002-0103-5198;
Cook, Robert/0000-0001-7393-7302; Borges, Alberto
V./0000-0002-5434-2247; Poulter, Benjamin/0000-0002-9493-8600; ANDRES,
ROBERT/0000-0001-8781-4979; Luyssaert, Sebastiaan/0000-0003-1121-1869;
Dolman, A.J./0000-0003-0099-0457; Gruber, Nicolas/0000-0002-2085-2310;
Valentini, Riccardo/0000-0002-6756-5634; Canadell,
Josep/0000-0002-8788-3218; Chevallier, Frederic/0000-0002-4327-3813;
Heimann, Martin/0000-0001-6296-5113; Breon,
Francois-Marie/0000-0003-2128-739X; Tarasova, Olga/0000-0002-4230-3849;
Bovensmann, Heinrich/0000-0001-8882-4108;
FU European Commission; Climate-KIC/European Institute of Technology; US
Department of Energy, Office of Science, Biological and Environmental
Research (BER); U.S. Department of Energy [DE-AC05-00OR22725];
Australian Professorial Fellowship [DP1096309]
FX This study was carried out as part of the GEO task on integrated carbon
observations (GEO Carbon Strategy Report; available for download at
http://www.falw.vu/similar to dola/downloads.html coordinated by H.
Dolman and P. Ciais), and the FP7 European Commission funded project
GEOCARBON (www.geocarbon.net). The writing of the manuscript is
sponsored by Climate-KIC/European Institute of Technology
(www.climate-kic.org/) through the Carbocount project. RJA was sponsored
by US Department of Energy, Office of Science, Biological and
Environmental Research (BER) programs and performed at Oak Ridge
National Laboratory (ORNL) under U.S. Department of Energy contract
DE-AC05-00OR22725. P. Rayner is in receipt of an Australian Professorial
Fellowship (DP1096309).
NR 282
TC 29
Z9 28
U1 15
U2 107
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
EI 1726-4189
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2014
VL 11
IS 13
BP 3547
EP 3602
DI 10.5194/bg-11-3547-2014
PG 56
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA AL6TM
UT WOS:000339265800009
ER
PT J
AU Malaestean, IL
Ellern, A
van Leusen, J
Kravtsov, VC
Kogerler, P
Baca, SG
AF Malaestean, Iurie L.
Ellern, Arkady
van Leusen, Jan
Kravtsov, Victor C.
Koegerler, Paul
Baca, Svetlana G.
TI Cluster-based networks: assembly of a (4,4) layer and a rare T-shaped
bilayer from [(Mn2Mn4O2)-Mn-III-O-II(RCOO)(10)] coordination clusters
SO CRYSTENGCOMM
LA English
DT Article
ID SINGLE-CHAIN MAGNET; MIXED-VALENCE; POLYMERS; HEXANUCLEAR;
4,4'-BIPYRIDINE; COMPLEXES; PIVALATE; LINKERS; BLOCKS; UNITS
AB The assembly of charge-neutral mixed-valent coordination clusters [(Mn2Mn4O2)-Mn-III-O-II(RCOO)(10)] (R = CHMe2, CMe3) and rigid isonicotinamide or semi-rigid aldrithiol-4 exo-bridging ligands results in (4,4) layers and a 2D bilayer containing an unprecedented type of cluster-based 'T-shaped' motif.
C1 [Malaestean, Iurie L.; van Leusen, Jan; Koegerler, Paul] Rhein Westfal TH Aachen, Inst Inorgan Chem, D-52074 Aachen, Germany.
[Ellern, Arkady] Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
[Kravtsov, Victor C.; Baca, Svetlana G.] Moldavian Acad Sci, Inst Appl Phys, MD-2028 Kishinev, Moldova.
RP Malaestean, IL (reprint author), Rhein Westfal TH Aachen, Inst Inorgan Chem, D-52074 Aachen, Germany.
EM paul.koegerler@ac.rwth-aachen.de
RI Baca, Svetlana/J-9336-2012; Kogerler, Paul/H-5866-2013
OI Baca, Svetlana/0000-0002-2121-2091; Kogerler, Paul/0000-0001-7831-3953
FU State Program of R. Moldova [14.518.02.04 A]
FX The authors from Chisinau acknowledge the financial support from the
State Program of R. Moldova (project 14.518.02.04 A).
NR 29
TC 3
Z9 3
U1 1
U2 9
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1466-8033
J9 CRYSTENGCOMM
JI Crystengcomm
PY 2014
VL 16
IS 29
BP 6523
EP 6525
DI 10.1039/c4ce00504j
PG 3
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA AL5KN
UT WOS:000339172600001
ER
PT S
AU Koyanaka, H
Takeuchi, K
Kolesnikov, AI
AF Koyanaka, H.
Takeuchi, K.
Kolesnikov, A. I.
BE Manivannan, A
Narayanan, SR
TI Conversion of CH4 into H-2 at 300 degrees C Using Pd/MnO2 Catalyst Made
with an Effect of Water Oxidation
SO ENERGY TECHNOLOGY/BATTERY-JOINT SESSION (GENERAL) - 224TH ECS MEETING
SE ECS Transactions
LA English
DT Proceedings Paper
CT Symposium on Energy Technology / Battery-Joint General Session held
during the 224th Meeting of the Electrochemical-Society (ECS)
CY OCT 27-NOV 01, 2013
CL San Francisco, CA
SP Electrochem Soc, Battery Div, Energy Technol Div
ID POWDER NEUTRON-DIFFRACTION; MANGANESE-DIOXIDE; CRYSTAL-STRUCTURE;
LAMBDA-MNO2; ADSORBENT; LIMN2O4
AB A novel electricity-free deposition of palladium on the surface of manganese dioxide, which has a crystal structure of ramsdellite, was studied. Using the Pd deposition, a nano-particle of Pd/MnO2 was prepared, and it was used for a catalytic performance for reforming methane into hydrogen at 300 degrees C.
C1 [Koyanaka, H.] Forward Sci Lab Ltd, Oita 8701124, Japan.
[Takeuchi, K.] Tokyo Univ Sci, Hokkaido 0493514, Japan.
[Kolesnikov, A. I.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA.
RP Koyanaka, H (reprint author), Forward Sci Lab Ltd, Oita 8701124, Japan.
RI Kolesnikov, Alexander/I-9015-2012
OI Kolesnikov, Alexander/0000-0003-1940-4649
FU Ministry of Education, Culture, Sports, Science & Technology-Japan
[17105002]; Kurita Water and Environment Foundation
FX We thank Mr. M. Tsujimoto for the GC and GC-MS measurements, and Dr. S.
Isoda for the TEM analysis. This work was partly supported by the WPI
program, the Grantsin-Aid 17105002 from the Ministry of Education,
Culture, Sports, Science & Technology-Japan, and Kurita Water and
Environment Foundation.
NR 11
TC 1
Z9 1
U1 1
U2 7
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA
SN 1938-5862
BN 978-1-60768-524-1
J9 ECS TRANSACTIONS
PY 2014
VL 58
IS 36
BP 81
EP 85
DI 10.1149/05836.0081ecst
PG 5
WC Electrochemistry; Energy & Fuels
SC Electrochemistry; Energy & Fuels
GA BA9DU
UT WOS:000339277500010
ER
PT S
AU Kuo, A
Bushnell, B
Grigoriev, IV
AF Kuo, Alan
Bushnell, Brian
Grigoriev, Igor V.
BE Martin, FM
TI Fungal Genomics: Sequencing and Annotation
SO FUNGI
SE Advances in Botanical Research
LA English
DT Review; Book Chapter
ID SACCHAROMYCES-CEREVISIAE GENOME; ASPERGILLUS-NIGER; MYCORRHIZAL
SYMBIOSIS; NEUROSPORA-CRASSA; FILAMENTOUS FUNGI; LACCARIA-BICOLOR;
PROTEIN FAMILIES; GENE-PREDICTION; DATA-BANK; RNA-SEQ
AB Plants grow in close associations with fungi pathogens, symbionts, and endophytes- and depend on these associations for success. Therefore, understanding the mechanisms of these interactions is important in order to create optimal conditions for plant growth. Genomics is a powerful tool not only to discover the potential encoded in genomes of both plants and plant-associated fungi but also to monitor dynamics of their interactions through gene expression and other genome-enabled analyses. Next-generation sequencing technologies offer tools to explore nature's wide array of plant fungal interactions in unprecedented depth, and the sheer volume of data produced is enormous. Several approaches to assemble, annotate, and analyse this wealth of genomics data are discussed in this chapter.
C1 [Kuo, Alan; Bushnell, Brian; Grigoriev, Igor V.] US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA.
RP Grigoriev, IV (reprint author), US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA.
EM ivgrigoriev@lbl.gov
NR 137
TC 7
Z9 7
U1 5
U2 34
PU ACADEMIC PRESS LTD-ELSEVIER SCIENCE LTD
PI LONDON
PA 24-28 OVAL ROAD, LONDON NW1 7DX, ENGLAND
SN 0065-2296
BN 978-0-12-397940-7
J9 ADV BOT RES
JI Adv. Bot. Res.
PY 2014
VL 70
BP 1
EP 52
DI 10.1016/B978-0-12-397940-7.00001-X
PG 52
WC Plant Sciences; Mycology
SC Plant Sciences; Mycology
GA BA6ZI
UT WOS:000337329900002
ER
PT S
AU Kreller, CR
Sekhar, PK
Spernjak, D
Li, WX
Palanisamy, P
Brosha, EL
Mukundan, R
Garzon, FH
AF Kreller, Cortney R.
Sekhar, Praveen K.
Spernjak, Dusan
Li, Wenxia
Palanisamy, Ponnusamy
Brosha, Eric L.
Mukundan, R.
Garzon, Fernando H.
BE Lvovich, V
Khosla, A
Orazem, M
Hansen, DC
Vanysek, P
TI Impedance as a diagnostic tool to characterize mixed-potential sensor
response
SO IMPEDANCE TECHNIQUES, DIAGNOSTICS, AND SENSING APPLICATIONS
SE ECS Transactions
LA English
DT Proceedings Paper
CT Symposium on Impedance Techniques, Diagnostics, and Sensing Applications
held during the 224th Meeting of the Electrochemical-Society (ECS)
CY OCT 27-NOV 01, 2013
CL San Francisco, CA
SP Electrochem Soc, Sensor Div, Corros Div, Ind Electrochemistry & Electrochem Engn Div, Phys & Analyt Electrochemistry Div
ID OXIDE ELECTRODES; STABILIZED ZIRCONIA; ELECTROLYTES
AB Commercial tape casting and screen-printing methods have been used to fabricate a planar, self-heated, mixed-potential NOx sensor for application in vehicle on-board emission control systems. The device consists of dense La0.8Sr0.2CrO3 (LSCrO) and Pt electrodes and a porous YSZ electrolyte on one side of a dense ceramic substrate and a Pt-heater with independent leads on the backside of the substrate. While these sensors have demonstrated high sensitivity and selectivity to NOx when operated at a positive bias, optimization of the sensor device geometry remains an open question. In this work, we used circular cells of dense YSZ with LSCrO working and Pt counter electrodes in order to identify the impedance response of each individual sensor component. The impedance response measured on the cell was then used to identify the rate-limiting processes underlying the response of the planar sensor device.
C1 [Kreller, Cortney R.; Spernjak, Dusan; Brosha, Eric L.; Mukundan, R.; Garzon, Fernando H.] Los Alamos Natl Lab, Sensors & Electrochem Devices Grp, POB 1663, Los Alamos, NM 87545 USA.
[Sekhar, Praveen K.] Washington State Univ Vancouver, Dept Elect Engn, Nanomaterials & Sensors Lab, Vancouver, WA 98686 USA.
[Li, Wenxia; Palanisamy, Ponnusamy] ESL Elect, King Of Prussia, PA 19406 USA.
RP Kreller, CR (reprint author), Los Alamos Natl Lab, Sensors & Electrochem Devices Grp, POB 1663, Los Alamos, NM 87545 USA.
OI Kreller, Cortney/0000-0003-2180-2494; Mukundan,
Rangachary/0000-0002-5679-3930
FU US DOE; EERE; Vehicle Technology Programs
FX The research was funded by the US DOE, EERE, Vehicle Technology
Programs. The authors wish to thank Technology Development Manager
Roland Gravel.u
NR 14
TC 0
Z9 0
U1 0
U2 2
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA
SN 1938-5862
BN 978-1-60768-500-5
J9 ECS TRANSACTIONS
PY 2014
VL 58
IS 22
BP 21
EP 30
DI 10.1149/05822.0021ecst
PG 10
WC Electrochemistry
SC Electrochemistry
GA BA9HF
UT WOS:000339387300003
ER
PT J
AU Parsons-Moss, T
Wang, JX
Jones, S
May, E
Olive, D
Dai, ZR
Zavarin, M
Kersting, AB
Zhao, DY
Nitsche, H
AF Parsons-Moss, Tashi
Wang, Jinxiu
Jones, Stephen
May, Erin
Olive, Daniel
Dai, Zurong
Zavarin, Mavrik
Kersting, Annie B.
Zhao, Dongyuan
Nitsche, Heino
TI Sorption interactions of plutonium and europium with ordered mesoporous
carbon
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID FINE-STRUCTURE SPECTROSCOPY; AQUEOUS-SOLUTION; ACTIVATED CARBON; SURFACE
FUNCTIONALIZATION; GRAPHENE OXIDE; URANIUM; ADSORPTION; REMOVAL;
NANOTUBES; EU(III)
AB Both 3d-cubic FDU-16-type and 2d-hexagonal C-CS-type ordered mesoporous carbons (OMCs) were synthesized to test their application as radionuclide sorbent materials. A portion of each OMC was oxidized with acidic ammonium persulfate (APS), and the physicochemical properties of all four OMCs were characterized with several techniques. Based on plutonium (Pu) sorption and desorption tests with FDU-16, oxidized FDU-16-COOH, C-CS, and oxidized C-CS-COOH, the C-CS-COOH was the most effective OMC for sorption of Pu over a wide pH range. Batch sorption interactions of C-CS and C-CS-COOH were further explored with Pu(VI) and Eu(III) to determine the uptake capacities, sorption kinetics, and effects of ionic strength. The nature of the Pu sorption reaction was also probed via X-ray absorption spectroscopy (XAS) and transmission electron microscopy (TEM). The highly oxidized surface, large pores, and high surface area of C-CS-COOH make it a very effective general scavenger for actinide and lanthanide cations. Pu and Eu uptake by C-CS-COOH appears to be dictated by chemisorption, and the Langmuir Eu capacity (138 mg g(-1) from pH 4 solution) is higher than those previously reported for many other adsorbents. Pristine C-CS has a low affinity for Eu(III), but is an excellent sorbent of PuO2 nanocrystals (similar to 3 nm diameter), which are formed because the carbon reduces Pu(VI) and Pu(V) to Pu(IV). Plutonium is also reduced by C-CS-COOH, but PuO2 colloid formation in pH 4 solution is prevented by carboxyl complexation of Pu(IV) at the C-CS-COOH surface.
C1 [Parsons-Moss, Tashi; Jones, Stephen; May, Erin; Olive, Daniel; Nitsche, Heino] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Parsons-Moss, Tashi; Jones, Stephen; May, Erin; Olive, Daniel; Nitsche, Heino] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA.
[Wang, Jinxiu; Zhao, Dongyuan] Fudan Univ, Dept Chem, Shanghai 200433, Peoples R China.
[Wang, Jinxiu; Zhao, Dongyuan] Fudan Univ, Adv Mat Lab, Shanghai 200433, Peoples R China.
[Dai, Zurong; Zavarin, Mavrik; Kersting, Annie B.] Lawrence Livermore Natl Lab, Glenn T Seaborg Inst, Livermore, CA 94550 USA.
RP Nitsche, H (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM hnitsche@lbl.gov
RI Zhao, Dongyuan/E-5796-2010;
OI Zhao, Dongyuan/0000-0002-1642-2510; Olive, Daniel/0000-0002-6465-4981
FU US Department of Homeland Security Academic Research Initiative (ARI)
program [2012-DN-130-NF0001-02]; U.S Department of Energy (DOE),
National Nuclear Security Administration (NNSA) through the Stewardship
Science Academic Alliances Program (SSAAP) [DE-NA0001978,
DE-FG52-10NA29652]; Nuclear Science and Security Consortium (NSSC) -
DOE/NNSA [DE-NA0000979]; Nuclear Forensics Graduate Fellowship through
the U.S. Department of Homeland Security; U.S. Department of Defense;
Subsurface Biogeochemical Research Program of the U.S. Department of
Energy's Office of Biological and Environmental Research; U.S.
Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]
FX The authors would like to thank Professor Peidong Yang of UC Berkeley
for his help in establishing the collaboration between the Zhao group of
Fudan University and the Nitsche group of UC Berkeley. The authors would
like to thank Deborah Wang for her assistance with the XAS experiment.
The authors would like to thank the anonymous reviewers for helping to
improve the quality of this manuscript. The majority of this work was
supported by the US Department of Homeland Security Academic Research
Initiative (ARI) program under Grant Award Number,
2012-DN-130-NF0001-02. A part of this work was supported by the U.S
Department of Energy (DOE), National Nuclear Security Administration
(NNSA) through the Stewardship Science Academic Alliances Program
(SSAAP) under award numbers DE-NA0001978 and DE-FG52-10NA29652. S. J.
was supported by the Nuclear Science and Security Consortium (NSSC) that
is funded by the DOE/NNSA under award number DE-NA0000979. E. M. was
supported by the Nuclear Forensics Graduate Fellowship through the U.S.
Department of Homeland Security and the U.S. Department of Defense. XAS
measurements were carried out at the Stanford Synchrotron Radiation
Lightsource, a directorate of SLAC National Accelerator Laboratory and
an Office of Science User Facility operated for the U. S. DOE, Office of
Science, by Stanford University. TEM measurements performed at LLNL were
supported by the Subsurface Biogeochemical Research Program of the U.S.
Department of Energy's Office of Biological and Environmental Research
and performed under the auspices of the U.S. Department of Energy by
Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.
The views and conclusions contained in this document are those of the
authors and should not be interpreted as necessarily representing the
official policies, either expressed or implied, of the U. S. Department
of Homeland Security, the U. S. DOE, and the U. S. Department of
Defense.
NR 60
TC 8
Z9 8
U1 16
U2 80
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 2014
VL 2
IS 29
BP 11209
EP 11221
DI 10.1039/c4ta01740d
PG 13
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA AL3CY
UT WOS:000339004100027
ER
PT J
AU Hsueh, TJ
Chang, SP
Huang, SJ
Huang, CC
Hu, M
AF Hsueh, Ting-Jen
Chang, Sheng-Po
Huang, Shyh-Jer
Huang, Chieh-Chih
Hu, Michael
TI Concepts of Novel Nanomaterial Device and Application
SO JOURNAL OF NANOMATERIALS
LA English
DT Editorial Material
C1 [Hsueh, Ting-Jen] Natl Nano Device Labs, Tainan 741, Taiwan.
[Chang, Sheng-Po] Natl Cheng Kung Univ, Adv Optoelect Technol Ctr, Tainan 70101, Taiwan.
[Huang, Shyh-Jer] Univ Calif Los Angeles, Dept Elect Engn, Los Angeles, CA 90095 USA.
[Huang, Chieh-Chih] Singapore MIT Alliance Res & Technol, Singapore 138602, Singapore.
[Hu, Michael] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Hsueh, TJ (reprint author), Natl Nano Device Labs, Tainan Based Sci Pk, Tainan 741, Taiwan.
EM tj.hsueh@gmail.com
OI Hu, Michael/0000-0001-8461-9684
NR 0
TC 0
Z9 0
U1 2
U2 11
PU HINDAWI PUBLISHING CORPORATION
PI NEW YORK
PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA
SN 1687-4110
EI 1687-4129
J9 J NANOMATER
JI J. Nanomater.
PY 2014
AR 414790
DI 10.1155/2014/414790
PG 1
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
SC Science & Technology - Other Topics; Materials Science
GA AL6HN
UT WOS:000339233300001
ER
PT J
AU Buceta, D
Blanco, MC
Lopez-Quintela, MA
Vukmirovic, MB
AF Buceta, D.
Blanco, M. C.
Lopez-Quintela, M. A.
Vukmirovic, M. B.
TI Critical Size Range of Sub-Nanometer Au Clusters for the Catalytic
Activity in the Hydrogen Oxidation Reaction
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID GOLD CLUSTERS; ELECTROCATALYSIS; DISSOCIATION; ELECTRODES; MECHANISM;
ACID
AB Au clusters (25 atoms) are up to 180 times more active for the hydrogen oxidation reaction (HOR) than bulk Au. They were created from catalytically inactive Au clusters (2-5 atoms) by electrochemical activation in the presence of Au ions. The HOR activity depends on the cluster's size and it is related to the fact that the position of the LUMO is below the redox potential for the HOR, while HOMO is below the H 1s-Au d antibonding resonance. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Buceta, D.; Blanco, M. C.; Lopez-Quintela, M. A.] Univ Santiago de Compostela, Fac Chem, Dept Phys Chem, E-15782 Santiago De Compostela, Spain.
[Buceta, D.; Blanco, M. C.; Lopez-Quintela, M. A.] Univ Santiago de Compostela, IIT, Nanomag Lab, E-15782 Santiago De Compostela, Spain.
[Buceta, D.; Vukmirovic, M. B.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Buceta, D (reprint author), Univ Santiago de Compostela, Fac Chem, Dept Phys Chem, E-15782 Santiago De Compostela, Spain.
EM buceta.david@gmail.com; miomir@bnl.gov
RI Buceta, David/I-1337-2015
OI Buceta, David/0000-0002-3297-6695
FU MICINN, Spain [MAT2010-20442, MAT2011-28673-C02-01]; Xunta de Galicia,
Spain [2010/41]; U.S. Department of Energy, Division of Chemical
Sciences, Geoscienees and Biosciences Division [DE-AC02-98CH10886];
MICINN, Spain
FX We thank R. R. Adzic for useful discussions. Work at USC was supported
by the MICINN, Spain (MAT2010-20442 and MAT2011-28673-C02-01) and Xunta
de Galicia, Spain (Grupos Ref.Comp. 2010/41). Work at BNL was supported
by U.S. Department of Energy, Division of Chemical Sciences, Geoscienees
and Biosciences Division, under the Contract No. DE-AC02-98CH10886. DB
thanks the MICINN, Spain for FPU grant.
NR 25
TC 7
Z9 7
U1 4
U2 27
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 2014
VL 161
IS 7
BP D3113
EP D3115
DI 10.1149/2.016407jes
PG 3
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AL3NH
UT WOS:000339034800017
ER
PT J
AU Berger, A
Newman, J
AF Berger, Alan
Newman, John
TI An Integrated 1-Dimensional Model of a Photoelectrochemical Cell for
Water Splitting
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID HYDROGEN-PRODUCTION; CARBON-DIOXIDE; SOLAR-CELLS; ARTIFICIAL LEAVES;
OXYGEN-EVOLUTION; SILICON NANOWIRE; CO2 REDUCTION; ABSORPTION; SYSTEMS;
ELECTROLYTES
AB A one-dimensional model of a photoelectrochemical cell for solar water splitting has been developed, with applicability to both "wired" and "wireless" designs. The model of the light absorber handles electron and hole transport. The model of the electrolyte accounts for mass transport through regions of aqueous solution, including stagnant diffusion layers and bulk regions to address mixing due to bubbles, natural convection, or other sources. A polymer membrane may be present in the electrolyte. The models of the light absorber and the electrolyte are integrated through the reactions taking place at the interface between them. Charge transfer from the semiconductor to the solution is handled using a kinetic model involving reactions between the,species in both the light absorber and the electrolyte. A simplified model is also presented for use when concentration gradients in the electrolyte are negligible. The simplified model captures the effect of the electrolyte in the boundary conditions for the light absorber. The model is validated against current-potential data for a hydrogen-evolving light absorber with varying degrees of simulated solar illumination. The model then shows how overall solar-to-hydrogen yield depends on the efficiency of the light absorber and the areal fraction of absorbers in a membrane separator. (C) 2014 The Electrochemical Society.
C1 [Berger, Alan; Newman, John] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Berger, Alan; Newman, John] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
RP Berger, A (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
EM alanberger@berkeley.edu; newman@newman.cchem.berkeley.edu
FU Office of Science of the U.S. Department of Energy [DE-SC0004993]
FX 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 61
TC 12
Z9 12
U1 1
U2 34
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 2014
VL 161
IS 8
BP E3328
EP E3340
DI 10.1149/2.035408jes
PG 13
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AL7HP
UT WOS:000339305100038
ER
PT J
AU Kelly, TG
Stottlemyer, AL
Yang, XF
Chen, JGG
AF Kelly, Thomas G.
Stottlemyer, Alan L.
Yang, Xiaofang
Chen, Jingguang G.
TI Theoretical and Experimental Studies of Ethanol Decomposition and
Electrooxidation over Pt-Modified Tungsten Carbide
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID TRANSITION-METAL CARBIDES; ETHYLENE-GLYCOL; ELECTROCHEMICAL STABILITY;
BIMETALLIC SURFACES; MODIFIED WC; WIDE PH; ELECTROCATALYSTS; OXIDATION;
PLATINUM; SPECTROSCOPY
AB Density functional theory (DFT) calculations, surface science experiments, and electrochemical measurements were performed to investigate tungsten monocarbide (WC) and Pt-modified WC for ethanol electrooxidation. DFT was used to calculate the binding energies of ethanol and potential reaction intermediates on model surfaces. Temperature programmed desorption (TPD) experiments were performed under ultrahigh vacuum (UHV) conditions to determine the decomposition pathways of ethanol on WC and Pt-modified WC surfaces. On WC the major pathway was C-O scission to produce ethylene, while on Pt/WC the preferred pathway was the C-C bond cleavage. High-resolution electron energy-loss spectroscopy (HREELS) was used to further understand the bond-breaking sequence of ethanol on WC and Pt/WC surfaces. Furthermore, electrochemical half-cell measurements were performed for Pt/WC in acidic electrolytes containing ethanol. Pt/WC was shown to be active for the electrooxidation of ethanol using both cyclic voltammetry (CV) and chronoamperometry (CA). In-situ infrared spectroscopy was also employed to demonstrate that Pt/WC was more effective than Pt for the total oxidation of ethanol to CO2. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Kelly, Thomas G.; Stottlemyer, Alan L.] Univ Delaware, Dept Chem & Bimol Engn, Newark, DE 19716 USA.
[Yang, Xiaofang; Chen, Jingguang G.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
[Chen, Jingguang G.] Columbia Univ, Dept Chem Engn, New York, NY 10027 USA.
RP Kelly, TG (reprint author), Univ Delaware, Dept Chem & Bimol Engn, Newark, DE 19716 USA.
EM jgchen@columbia.edu
FU Department of Energy, Office of Basic Energy Sciences
[DE-FG02-13ER16381]
FX The authors acknowledge support from the Department of Energy, Office of
Basic Energy Sciences (Grant #DE-FG02-13ER16381).
NR 27
TC 1
Z9 1
U1 2
U2 27
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 2014
VL 161
IS 8
BP E3165
EP E3170
DI 10.1149/2.017408jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AL7HP
UT WOS:000339305100020
ER
PT J
AU Kumar, N
Leung, K
Siegel, DJ
AF Kumar, Nitin
Leung, Kevin
Siegel, Donald J.
TI Crystal Surface and State of Charge Dependencies of Electrolyte
Decomposition on LiMn2O4 Cathode
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID LITHIUM-ION BATTERIES; CARBONATE-BASED ELECTROLYTES; DENSITY-FUNCTIONAL
THEORY; TOTAL-ENERGY CALCULATIONS; THIN-FILM ELECTRODE; WAVE BASIS-SET;
OXIDATIVE DECOMPOSITION; PROPYLENE CARBONATE; AB-INITIO; ELECTROCHEMICAL
OXIDATION
AB First principles calculations are used to study the initial decomposition reactions of ethylene carbonate (EC) on the (111) surface of LiMn2O4 (LMO), a candidate for Li ion battery (LIB) cathode. Theoretical studies of interfacial reactions are particularly timely due to recent experiments on the effect of LMO crystal morphology on battery cyclability and interfacial film stability [J.-S. Kim, K. Kim, W. Cho, W. H. Shin, R. Kanno, and J. W. Choi, Nano Lett., 12, 6358-6365 (2012)]. We find that EC degradation is a two-step reaction. The first step is the rate determining reaction where a proton is abstracted from EC and transferred to the surface. The second step involves ring opening of the proton abstracted EC which turns out to have a smaller barrier. Both of these reactions are sensitive to the Li content, i.e. state of charge, of the model electrode. EC degradation via H-abstraction becomes a feasible reaction route when the cathode becomes more highly charged. Comparison with predictions on the (100) surface of LMO is discussed, and speculation on the growth of nanometer-thick interfacial layer on LMO despite its relatively modest operating potential are made in light of the reaction driving forces predicted in this work. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Kumar, Nitin; Siegel, Donald J.] Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA.
[Kumar, Nitin; Leung, Kevin] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Siegel, Donald J.] Univ Michigan, Appl Phys Program, Ann Arbor, MI 48109 USA.
RP Kumar, N (reprint author), Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA.
EM nitinkr@umich.edu
RI Siegel, Donald/B-4048-2013; Kumar, Nitin/M-5778-2014
OI Siegel, Donald/0000-0001-7913-2513; Kumar, Nitin/0000-0002-1064-1659
FU U.S. Department of Energy's U.S.-China Clean Energy Research Center for
Clean Vehicles [DE-PI0000012]; U.S. Department of Energy's National
Nuclear Security Administration [DE-AC04-94AL85000]; Office of Science
of the U.S. Department of Energy [DE-AC02-05CH11231]
FX This work was supported by the U.S. Department of Energy's U.S.-China
Clean Energy Research Center for Clean Vehicles, grant no. DE-PI0000012.
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. This research
used resources of the National Energy Research Scientific Computing
Center, which is supported by the Office of Science of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231.
NR 71
TC 15
Z9 15
U1 5
U2 52
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 2014
VL 161
IS 8
BP E3059
EP E3065
DI 10.1149/2.009408jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AL7HP
UT WOS:000339305100010
ER
PT J
AU Kusoglu, A
Weber, AZ
AF Kusoglu, Ahmet
Weber, Adam Z.
TI A Mechanistic Model for Pinhole Growth in Fuel-Cell Membranes during
Cyclic Loads
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID POLYMER ELECTROLYTE MEMBRANE; PROTON-EXCHANGE-MEMBRANE;
PERFLUOROSULFONIC ACID MEMBRANE; PFSA MEMBRANES; PHYSICAL DEGRADATION;
HUMIDITY CYCLES; GAS-CROSSOVER; VOID GROWTH; DURABILITY; TEMPERATURE
AB In this paper, we present a theoretical modeling framework for pinhole growth in a polymer-electrolyte-fuel-cell membrane due to environmentally-driven cyclic loads. The focus is to develop a quantitative understanding and prediction of fuel-crossover and cell-performance data, and to explore approaches for membrane lifetime estimations due to humidity variations and associated mechanical stresses. A mechanistic approach based on void-growth in solid mechanics is employed for the cyclic, or fatigue, response of the membrane that consists of multi-parameter submodels for various phenomena related to the growth of a pinhole due to membrane deformation. To consider the critical role of swelling (hydration) and plasticity, expressions for the membrane's hydration-dependent nonlinear elastic-plastic constitutive response are developed based on measured material properties and implemented into the model. Effects of loading (hydration) conditions, model parameters, and membrane material properties on the resulting mechanical response and lifetime are investigated. Lastly, by correlating the pinhole area to crossover in the membrane, model predictions are compared with experimental accelerated-stress-test (AST) data. The results support the combined degradation mechanisms that mechanical effects, while not resulting in sudden failure due to humidity cycling, accelerate chemical degradation during a combined mechanical/chemical AST test. (C) 2014 The Electrochemical Society.
C1 [Kusoglu, Ahmet; Weber, Adam Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
RP Kusoglu, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
EM akusoglu@lbl.gov
OI Kusoglu, Ahmet/0000-0002-2761-1050
FU Fuel Cell Technologies Office, of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX The authors thank Rodney Borup and Rangachary Mukundan of the Los Alamos
Fuel Cell Team for providing fuel-cell AST data and for helpful
discussions. We also like to thank helpful discussions with Drs. Craig
Gittleman and Felix Buchi. This work was funded by the Assistant
Secretary for Energy Efficiency and Renewable Energy, Fuel Cell
Technologies Office, of the U.S. Department of Energy under contract
number DE-AC02-05CH11231.
NR 70
TC 7
Z9 7
U1 0
U2 13
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 2014
VL 161
IS 8
BP E3311
EP E3322
DI 10.1149/2.036408jes
PG 12
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AL7HP
UT WOS:000339305100036
ER
PT J
AU Northrop, PWC
Suthar, B
Ramadesigan, V
Santhanagopalan, S
Braatz, RD
Subramanian, VR
AF Northrop, Paul W. C.
Suthar, Bharatkumar
Ramadesigan, Venkatasailanathan
Santhanagopalan, Shriram
Braatz, Richard D.
Subramanian, Venkat R.
TI Efficient Simulation and Reformulation of Lithium-Ion Battery Models for
Enabling Electric Transportation
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID NANOSTRUCTURED ANODE MATERIALS; MANAGEMENT-SYSTEMS; CAPACITY FADE;
DYNAMIC OPTIMIZATION; PARAMETER-ESTIMATION; THERMAL-BEHAVIOR; INSERTION
CELL; IDENTIFICATION; PREDICTION; CHARGE
AB Improving the efficiency and utilization of battery systems can increase the viability and cost-effectiveness of existing technologies for electric vehicles (EVs). Developing smarter battery management systems and advanced sensing technologies can circumvent problems arising due to capacity fade and safety concerns. This paper describes how efficient simulation techniques and improved algorithms can alleviate some of these problems to help electrify the transportation industry by improving the range of variables that are predictable and controllable in a battery in real-time within an electric vehicle. The use of battery models in a battery management system (BMS) is reviewed. The effect of different simulation techniques on computational cost and accuracy are also compared, and the validity of implementation in a microcontroller environment for model predictive control (MPC) is addressed. Using mathematical techniques to add more physics without losing efficiency is also discussed. (C) The Author(s) 2014. 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 [Northrop, Paul W. C.; Suthar, Bharatkumar; Subramanian, Venkat R.] Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA.
[Ramadesigan, Venkatasailanathan] Indian Inst Technol, Dept Energy Sci & Engn, Bombay 400076, Maharashtra, India.
[Santhanagopalan, Shriram] Natl Renewable Energy Lab, Transportat & Hydrogen Syst Ctr, Golden, CO 80401 USA.
[Braatz, Richard D.] MIT, Dept Chem Engn, Cambridge, MA 02139 USA.
RP Northrop, PWC (reprint author), Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA.
EM vsubramanian@seas.wustl.edu
FU United States Department of Energy (DOE) though the Advanced Research
Projects Agency - Energy (ARPA-E) [DE-AR0000275]
FX The authors thank the United States Department of Energy (DOE) for the
financial support for this work though the Advanced Research Projects
Agency - Energy (ARPA-E) award #DE-AR0000275. The authors thank the
anonymous reviewers for their useful comments and suggestions.
NR 69
TC 11
Z9 11
U1 6
U2 35
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2014
VL 161
IS 8
BP E3149
EP E3157
DI 10.1149/2.018408jes
PG 9
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AL7HP
UT WOS:000339305100018
ER
PT J
AU Singh, MR
Stevens, JC
Weber, AZ
AF Singh, Meenesh R.
Stevens, John C.
Weber, Adam Z.
TI Design of Membrane-Encapsulated Wireless Photoelectrochemical Cells for
Hydrogen Production
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID POLYMER-ELECTROLYTE MEMBRANES; WATER-SPLITTING SYSTEMS;
TEMPERATURE-DEPENDENCE; OXYGEN; NAFION; SIMULATIONS; TRANSPORT;
PERMEATION; EFFICIENCY; BUBBLES
AB Membrane-encapsulated devices are attractive for solar-driven hydrogen production, as their design mitigates problems with concentration overpotentials, gas bubbles, and safety inherent in liquid electrolyte water-splitting devices. However, the competing processes such as heat, water, gas, and ion transport make it nontrivial to design such devices. Here, we show analytical expressions and associated design spaces for critical membrane dimensions and material properties required for stable and efficient gas, heat, proton, and water transport. The best condition for stable gas transport in thin film or gas channels is given by the critical Damkohler number. The maximum heating of the device is governed by the Heating and Nusselt numbers, which can be tuned to the desired level. The optimal dimensions of the device, to operate under tolerable ohmic losses, correspond to the maximum value of scaled Power-loss factor. An optimal device architecture is proposed for stable and efficient operation. (C) 2014 The Electrochemical Society.
C1 [Singh, Meenesh R.; Stevens, John C.; Weber, Adam Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
[Singh, Meenesh R.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Stevens, John C.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA.
RP Singh, MR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
EM mrsingh@lbl.gov
FU Office of Science of the U.S. Department of Energy [DE-SC0004993]
FX This material is based on the work performed by the Joint Center for
Artificial Photosynthesis, a DOE Energy Innovation Hub, supported
through the Office of Science of the U.S. Department of Energy under
Award number DE-SC0004993. We are thankful to Pepa Cotanda and Raffaella
Buonsanti for helping us in taking UV-Vis spectrum. We would also like
to thank John S. Newman, Rachel A. Segalman, Chengxiang Xiang, Alan
Berger, Christopher M. Evans, and Karl A. Walczak for useful
discussions.
NR 41
TC 10
Z9 10
U1 2
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 2014
VL 161
IS 8
BP E3283
EP E3296
DI 10.1149/2.033408jes
PG 14
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AL7HP
UT WOS:000339305100033
ER
PT J
AU Weidner, JW
Balbuena, PB
Weber, AZ
Meyers, JP
Subramanian, V
AF Weidner, John W.
Balbuena, Perla B.
Weber, Adam Z.
Meyers, Jeremy P.
Subramanian, Venkat
TI Mathematical Modeling of Electrochemical Systems at Multiple Scales
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Editorial Material
C1 [Weidner, John W.] Univ S Carolina, Dept Chem Engn, Columbia, SC 29208 USA.
[Balbuena, Perla B.] Texas A&M Univ, Dept Chem Engn, College Stn, TX 77843 USA.
[Weber, Adam Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Meyers, Jeremy P.] EnerVault Corp, Sunnyvale, CA 94089 USA.
[Subramanian, Venkat] Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA.
RP Weidner, JW (reprint author), Univ S Carolina, Dept Chem Engn, Columbia, SC 29208 USA.
EM weidner@cec.sc.edu
NR 1
TC 0
Z9 0
U1 1
U2 6
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 2014
VL 161
IS 8
BP Y9
EP Y9
DI 10.1149/2.038408jes
PG 1
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AL7HP
UT WOS:000339305100001
ER
PT S
AU Karimabadi, H
Roytershteyn, V
Daughton, W
Liu, YH
AF Karimabadi, Homa
Roytershteyn, Vadim
Daughton, William
Liu, Yi-Hsin
BE Balogh, A
Bykov, A
Cargill, P
Dendy, R
DeWit, TD
Raymond, J
TI Recent Evolution in the Theory of Magnetic Reconnection and Its
Connection with Turbulence
SO MICROPHYSICS OF COSMIC PLASMAS
SE Space Science Series of ISSI
LA English
DT Article; Book Chapter
DE Magnetic; Reconnection; Turbulence
ID KINETIC SIMULATIONS; SOLAR-WIND; FIELDS; RESISTIVITY; CHALLENGE;
MECHANISM; TRANSPORT; PLASMAS; LINES
AB The concept of reconnection is found in many fields of physics with the closest analogue to magnetic reconnection being the reconnection of vortex tubes in hydrodynamics. In plasmas, magnetic reconnection plays an important role in release of energy associated with the magnetic shear into particle energy. Although most studies to date have focused on 2D reconnection, the availability of 3D petascale kinetic simulations have brought the complexity of 3D reconnection to the forefront in collisionless reconnection studies. Here we briefly review the latest advances in 2D and compare and contrast the results with recent 3D studies that address role of anomalous transport in reconnection, effects of turbulence on the rate and structure, among others. Another outcome of recent research is the realization of a deeper link between turbulence and reconnection where the common denominator is the generic formation of electron scale sheets which dissipate the energy through reconnection. Finally, we close the review by listing some of the major outstanding problems in reconnection physics.
C1 [Karimabadi, Homa] Univ Calif San Diego, La Jolla, CA 92093 USA.
[Karimabadi, Homa; Roytershteyn, Vadim] SciberQuest Inc, Del Mar, CA 92014 USA.
[Daughton, William; Liu, Yi-Hsin] Los Alamos Natl Lab, Los Alamos, NM USA.
RP Karimabadi, H (reprint author), Univ Calif San Diego, La Jolla, CA 92093 USA.
EM homakar@gmail.com; vroytersh@gmail.com; daughton@lanl.gov;
yhliu10@gmail.com
OI Roytershteyn, Vadim/0000-0003-1745-7587
NR 77
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 1385-7525
BN 978-1-4899-7413-6; 978-1-4899-7412-9
J9 SPACE SCI SER ISSI
PY 2014
VL 47
BP 231
EP 247
DI 10.1007/978-1-4899-7413-6_9
D2 10.1007/978-1-4899-7413-6
PG 17
WC Astronomy & Astrophysics; Physics, Fluids & Plasmas
SC Astronomy & Astrophysics; Physics
GA BA7CJ
UT WOS:000337403300009
ER
PT S
AU Brown, MR
Browning, PK
Dieckmann, ME
Furno, I
Intrator, TP
AF Brown, M. R.
Browning, P. K.
Dieckmann, M. E.
Furno, I.
Intrator, T. P.
BE Balogh, A
Bykov, A
Cargill, P
Dendy, R
DeWit, TD
Raymond, J
TI Microphysics of Cosmic Plasmas: Hierarchies of Plasma Instabilities from
MHD to Kinetic
SO MICROPHYSICS OF COSMIC PLASMAS
SE Space Science Series of ISSI
LA English
DT Article; Book Chapter
DE MHD; Turbulence; Reconnection; Relaxation; Instability
ID ION-CYCLOTRON INSTABILITY; FORCED MAGNETIC RECONNECTION; TIED CORONAL
LOOPS; KINK INSTABILITY; SPHEX SPHEROMAK; ENERGY-RELEASE; CURRENT
SHEETS; NONLINEAR EVOLUTION; ELECTRIC-FIELDS; CURRENT DRIVE
AB In this article, we discuss the idea of a hierarchy of instabilities that can rapidly couple the disparate scales of a turbulent plasma system. First, at the largest scale of the system, L, current carrying flux ropes can undergo a kink instability. Second, a kink instability in adjacent flux ropes can rapidly bring together bundles of magnetic flux and drive reconnection, introducing a new scale of the current sheet width, l, perhaps several ion inertial lengths (delta(i)) across. Finally, intense current sheets driven by reconnection electric fields can destabilize kinetic waves such as ion cyclotron waves as long as the drift speed of the electrons is large compared to the ion thermal speed, upsilon(D) >> vi. Instabilities such as these can couple MHD scales to kinetic scales, as small as the proton Larmor radius, rho(i).
C1 [Brown, M. R.] Swarthmore Coll, Dept Phys & Astron, Swarthmore, PA 19081 USA.
[Browning, P. K.] Univ Manchester, Jodrell Bank Ctr Astrophys, Manchester M13 9PL, Lancs, England.
[Dieckmann, M. E.] Linkoping Univ, Dept Sci & Technol ITN, S-60174 Norrkoping, Sweden.
[Furno, I.] Ecole Polytech Fed Lausanne, CRPP, Ctr Rech Phys Plasmas, Lausanne, Switzerland.
[Intrator, T. P.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Brown, MR (reprint author), Swarthmore Coll, Dept Phys & Astron, Swarthmore, PA 19081 USA.
EM doc@swarthmore.edu
RI Dieckmann, Mark Eric/C-8591-2009
OI Dieckmann, Mark Eric/0000-0003-4055-0552
NR 107
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 1385-7525
BN 978-1-4899-7413-6; 978-1-4899-7412-9
J9 SPACE SCI SER ISSI
PY 2014
VL 47
BP 281
EP 307
DI 10.1007/978-1-4899-7413-6_11
D2 10.1007/978-1-4899-7413-6
PG 27
WC Astronomy & Astrophysics; Physics, Fluids & Plasmas
SC Astronomy & Astrophysics; Physics
GA BA7CJ
UT WOS:000337403300011
ER
PT J
AU Shin, I
Ray, J
Gupta, V
Ilgu, M
Beasley, J
Bendickson, L
Mehanovic, S
Kraus, GA
Nilsen-Hamilton, M
AF Shin, Ilchung
Ray, Judhajeet
Gupta, Vinayak
Ilgu, Muslum
Beasley, Jonathan
Bendickson, Lee
Mehanovic, Samir
Kraus, George A.
Nilsen-Hamilton, Marit
TI Live-cell imaging of Pol II promoter activity to monitor gene expression
with RNA IMAGEtag reporters
SO NUCLEIC ACIDS RESEARCH
LA English
DT Article
ID GREEN FLUORESCENT PROTEIN; LIVING CELLS; MESSENGER-RNAS; YEAST;
VISUALIZATION; TRANSCRIPTION; TRANSLATION; MAGNESIUM; BACTERIA
AB We describe a ribonucleic acid (RNA) reporter system for live-cell imaging of gene expression to detect changes in polymerase II activity on individual promoters in individual cells. The reporters use strings of RNA aptamers that constitute IMAGEtags (Intracellular MultiAptamer GEnetic tags) that can be expressed from a promoter of choice. For imaging, the cells are incubated with their ligands that are separately conjugated with one of the FRET pair, Cy3 and Cy5. The IMAGEtags were expressed in yeast from the GAL1, ADH1 or ACT1 promoters. Transcription from all three promoters was imaged in live cells and transcriptional increases from the GAL1 promoter were observed with time after adding galactose. Expression of the IMAGEtags did not affect cell proliferation or endogenous gene expression. Advantages of this method are that no foreign proteins are produced in the cells that could be toxic or otherwise influence the cellular response as they accumulate, the IMAGEtags are short lived and oxygen is not required to generate their signals. The IMAGEtag RNA reporter system provides a means of tracking changes in transcriptional activity in live cells and in real time.
C1 [Shin, Ilchung; Ray, Judhajeet; Ilgu, Muslum; Bendickson, Lee; Nilsen-Hamilton, Marit] US DOE, Ames Lab, Ames, IA 50011 USA.
[Shin, Ilchung; Ray, Judhajeet; Ilgu, Muslum; Beasley, Jonathan; Nilsen-Hamilton, Marit] Iowa State Univ, Roy J Carver Dept Biochem Biophys & Mol Biol, Ames, IA 50011 USA.
[Gupta, Vinayak; Beasley, Jonathan; Kraus, George A.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
[Mehanovic, Samir] Mol Express Inc, Ames, IA 50014 USA.
RP Nilsen-Hamilton, M (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA.
EM marit@iastate.edu
FU National Institute of Health [R01 EB005075, R43 CA-110222]; U.S.
Department of Energy, Office of Biological and Environmental Research
through the Ames Laboratory; U.S. Department of Energy
[DE-AC02-07CH11358]; Ames Laboratories, US Department of Energy
FX The National Institute of Health funded the development of the IMAGEtags
(R01 EB005075), and selection and optimization of the PDC aptamer (R43
CA-110222). The U.S. Department of Energy, Office of Biological and
Environmental Research through the Ames Laboratory funded the
implementation of the IMAGEtags in yeast. The Ames Laboratory is
operated for the U.S. Department of Energy by Iowa State University
under Contract No. DE-AC02-07CH11358. Funding for open access charge:
Ames Laboratories, US Department of Energy.
NR 37
TC 17
Z9 17
U1 1
U2 15
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0305-1048
EI 1362-4962
J9 NUCLEIC ACIDS RES
JI Nucleic Acids Res.
PY 2014
VL 42
IS 11
AR e90
DI 10.1093/nar/gku297
PG 9
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA AK9TG
UT WOS:000338769400002
PM 24753407
ER
PT J
AU Szanyi, J
Kwak, JH
AF Szanyi, Janos
Kwak, Ja Hun
TI Dissecting the steps of CO2 reduction: 1. The interaction of CO and CO2
with gamma-Al2O3: an in situ FTIR study
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID CARBON-DIOXIDE; METAL-OXIDES; CATALYSTS; ALUMINA; SPECTROSCOPY;
METHANATION; ADSORPTION; ZEOLITES; PD
AB The adsorption of CO2 and CO was investigated on a pure gamma-Al2O3 support material that has been used in Pd and Ru catalysts for the reduction of CO2. The adsorption of CO2 resulted in the formation of carbonates, bicarbonates and linearly adsorbed CO2 species. The amount and the nature of the adsorbed species were dependent on the annealing temperature of the alumina support. On gamma-Al2O3 annealed at 473 K mostly bicarbonates formed, while no adsorbed CO2 was seen on this highly hydroxylated surface. With increasing calcination temperature the amount of both surface carbonates and linearly adsorbed CO2 increased, but still the most abundant surface species were bicarbonates. Surface carbonates and adsorbed CO2 can readily be removed from the alumina surface, while bicarbonates are stable to elevated temperatures. The interaction of CO with gamma-Al2O3 is much weaker than that of CO2. At room temperature CO adsorbs only on Lewis acid sites, and can be readily removed by evacuation. At 100 K CO can probe different defect sites on the alumina surface. Under no conditions we have observed the formation of any carbonates or bicarbonates upon the interaction of CO with the pure alumina support. In co-adsorption experiments CO competes for adsorption sites with the linearly adsorbed CO2 on the 773 K-annealed gamma-Al2O3 surface, but it does not result in the desorption of CO2, rather in the increased production of weakly held carbonates. After the removal of adsorbed CO, CO2 moves back to its original adsorption sites, i.e., Lewis acidic Al3+ centers. The exposure of a CO2-saturated gamma-Al2O3 to H2O did not affect any of the adsorbed surface species. The findings of this study will be used to rationalize the results of our ongoing in situ and in operando studies on the reduction of CO2 on supported Pd and Ru catalysts.
C1 [Szanyi, Janos; Kwak, Ja Hun] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA.
RP Szanyi, J (reprint author), Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA.
EM janos.szanyi@pnnl.gov
RI Kwak, Ja Hun/J-4894-2014
FU US Department of Energy Basic Energy Sciences, Division of Chemical
Sciences, Geosciences Biosciences; Laboratory Directed Research and
Development (LDRD) project at the Pacific Northwest National Laboratory
(PNNL); UNIST (Ulsan National Institute of Science and Technology,
Ulsan, Korea)
FX We gratefully acknowledge the US Department of Energy Basic Energy
Sciences, Division of Chemical Sciences, Geosciences & Biosciences for
the support of this work. The synthesis and catalyst pre-treatment
portion of the work described in this manuscript was supported by a
Laboratory Directed Research and Development (LDRD) project at the
Pacific Northwest National Laboratory (PNNL). PNNL is operated for the
US DOE by Battelle Memorial Institute. J. H. K. also acknowledges the
support of this work by the 2013 Research Fund of UNIST (Ulsan National
Institute of Science and Technology, Ulsan, Korea).
NR 18
TC 5
Z9 5
U1 8
U2 71
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 29
BP 15117
EP 15125
DI 10.1039/c4cp00616j
PG 9
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AL5KY
UT WOS:000339173700009
PM 24934753
ER
PT J
AU Szanyi, J
Kwak, JH
AF Szanyi, Janos
Kwak, Ja Hun
TI Dissecting the steps of CO2 reduction: 2. The interaction of CO and CO2
with Pd/gamma-Al2O3: an in situ FTIR study
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID PROMOTED RH(111) SURFACE; SUPPORTED PALLADIUM; CARBON-MONOXIDE;
LOW-TEMPERATURE; ADSORPTION; CATALYSTS; POTASSIUM; PD(100); ALUMINA;
CHEMISTRY
AB Alumina supported Pd catalysts with metal loadings of 0.5, 2.5 and 10 wt% were investigated by in situ FTIR spectroscopy in order to understand the nature of adsorbed species formed during their exposure to CO2 and CO. Exposing the annealed samples to CO2 at 295 K resulted in the formation of alumina support-bound surface species only: linear adsorbed CO2, bidentate carbonates and bicarbonates. Room temperature exposure of all three samples to CO produced IR features characteristic of both ionic and metallic Pd, as well as bands we observed upon CO2 adsorption (alumina support-bound species). Low temperature (100 K) adsorption of CO on the three samples provided information about the state of Pd after oxidation and reduction. Oxidized samples contained exclusively ionic Pd, while mostly metallic Pd was present in the reduced samples. Subsequent annealing of the CO-saturated samples revealed the facile (low temperature) reduction of PdOx species by adsorbed CO. This process was evidenced by the variations in IR bands characteristic of ionic and metallic Pd-bound CO, as well as by the appearance of IR bands associated with CO2 adsorption as a function of annealing temperature. Samples containing oxidized Pd species (oxidized, annealed or reduced) always produced CO2 upon their exposure to CO, while no CO2-related surface entities were observed on samples having only fully reduced (metallic) Pd.
C1 [Szanyi, Janos; Kwak, Ja Hun] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA.
RP Szanyi, J (reprint author), Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA.
EM janos.szanyi@pnnl.gov
RI Kwak, Ja Hun/J-4894-2014
FU US Department of Energy Basic Energy Sciences, Division of Chemical
Sciences, Geosciences Biosciences; UNIST (Ulsan National Institute of
Science and Technology, Ulsan, Korea)
FX The catalyst preparation was supported by a Laboratory Directed Research
and Development (LDRD) project. This work was supported by the US
Department of Energy Basic Energy Sciences, Division of Chemical
Sciences, Geosciences & Biosciences. Pacific Northwest National
Laboratory is operated by Battelle for the US Department of Energy. JHK
also acknowledges the support of this work by the 2013 Research Fund of
UNIST (Ulsan National Institute of Science and Technology, Ulsan,
Korea). The authors also thank Mark Engelhard for conducting the XPS
experiments on the Pd-loaded samples.
NR 32
TC 5
Z9 5
U1 7
U2 82
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 29
BP 15126
EP 15138
DI 10.1039/c4cp00617h
PG 13
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AL5KY
UT WOS:000339173700010
PM 24934862
ER
PT J
AU Rosenberg, RA
Symonds, JM
Vijayalakshmi, K
Mishra, D
Orlando, TM
Naaman, R
AF Rosenberg, R. A.
Symonds, J. M.
Vijayalakshmi, K.
Mishra, Debabrata
Orlando, T. M.
Naaman, R.
TI The relationship between interfacial bonding and radiation damage in
adsorbed DNA
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID X-RAY-ABSORPTION; SELF-ASSEMBLED MONOLAYERS; LOW-ENERGY ELECTRONS;
STRAND BREAKS; K-EDGE; MOLECULAR-ORIENTATION; FINE-STRUCTURE; THIN-FILM;
GOLD; NEXAFS
AB We have performed a comparison of the radiation damage occurring in DNA adsorbed on gold in two different configurations, when the DNA is thiolated and bound covalently to the substrate and when it is unthiolated and interacts with the substrate through the bases. Both molecules were found to organize so as to protrude from the surface at similar to 45 degrees. Changes in the time-dependent C 1s and O 1s X-ray photoelectron (XP) spectra resulting from irradiation were interpreted to arise from cleavage of the phosphodiester bond and possibly COH desorption. By fitting the time-dependent XP spectra to a simple kinetic model, time constants were extracted, which were converted to cross sections and quantum yields for the damage reaction. The radiation induced damage is significantly higher for the thiolated DNA. N 1s X-ray absorption spectrum revealed the N-C-N LUMO is more populated in the unthiolated molecule, which is due to a higher degree of charge transfer from the substrate to this LUMO in the unthiolated case. Since the N-C=N LUMO of the thiolated molecule is comparatively less populated, it is more effective in capturing low energy electrons resulting in a higher degree of damage.
C1 [Rosenberg, R. A.; Vijayalakshmi, K.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Symonds, J. M.; Orlando, T. M.] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA.
[Symonds, J. M.; Orlando, T. M.] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA.
[Mishra, Debabrata; Naaman, R.] Weizmann Inst Sci, Dept Chem Phys, IL-76100 Rehovot, Israel.
RP Rosenberg, RA (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM rar@aps.anl.gov
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]; National Science Foundation [DMR-0537588];
U.S. Department of Energy, Office of Basic Energy Sciences
[DE-FG02-02ER15337]
FX The work performed at the Advanced Photon Source was supported by the
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences under Contract No. DE-AC02-06CH11357. This work is based in
part upon research conducted at the Synchrotron Radiation Center,
University of Wisconsin-Madison, which is supported by the National
Science Foundation under Award No. DMR-0537588. TMO and JMS wish to
acknowledge support from the U.S. Department of Energy, Office of Basic
Energy Sciences under Contract No. DE-FG02-02ER15337. We would like to
thank Nir Eliyahu and Tal Markus for experimental support.
NR 71
TC 6
Z9 6
U1 2
U2 16
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 29
BP 15319
EP 15325
DI 10.1039/c4cp01649a
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AL5KY
UT WOS:000339173700032
PM 24943511
ER
PT J
AU Liu, B
Cooper, VR
Xu, HX
Xiao, HY
Zhang, YW
Weber, WJ
AF Liu, Bin
Cooper, Valentino R.
Xu, Haixuan
Xiao, Haiyan
Zhang, Yanwen
Weber, William J.
TI Composition dependent intrinsic defect structures in SrTiO3
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID NATIVE POINT-DEFECTS; STRONTIUM-TITANATE; 1ST-PRINCIPLES CALCULATIONS;
GRAIN-BOUNDARIES; OXYGEN VACANCY; NONSTOICHIOMETRY; MECHANISMS; CERAMICS
AB Intrinsic point defect complexes in SrTiO3 under different chemical conditions are studied using density functional theory. The Schottky defect complex consisting of nominally charged Sr, Ti and O vacancies is predicted to be the most stable defect structure in stoichiometric SrTiO3, with a relatively low formation energy of 1.64 eV per defect. In addition, the mechanisms of defect complex formation in nonstoichiometric SrTiO3 are investigated. Excess SrO leads to the formation of oxygen vacancies and a strontium-titanium antisite defect, while a strontium vacancy together with an oxygen vacancy and a titanium-strontium antisite defect are produced in an excess TiO2 environment. Since point defects, such as oxygen vacancies and cation antisite defects, are intimately related to the functionality of SrTiO3, these results provide guidelines for controlling the formation of intrinsic point defects and optimizing the functionality of SrTiO3 by controlling nonstoichiometric chemical compositions of SrO and TiO2 in experiments.
C1 [Liu, Bin; Cooper, Valentino R.; Zhang, Yanwen; Weber, William J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Xu, Haixuan; Xiao, Haiyan; Zhang, Yanwen; Weber, William J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
RP Liu, B (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
EM liub2@ornl.gov; wjweber@utk.edu
RI Weber, William/A-4177-2008; Liu, Bin/N-9955-2014; Xu,
Haixuan/C-9841-2009; Cooper, Valentino /A-2070-2012
OI Weber, William/0000-0002-9017-7365; Cooper, Valentino
/0000-0001-6714-4410
FU U.S. Department of Energy, Basic Energy Sciences, Materials Science and
Engineering Division; Office of Science, U.S. Department of Energy
[DEAC02-05CH11231]
FX This work was supported by the U.S. Department of Energy, Basic Energy
Sciences, Materials Science and Engineering Division. This research used
resources of the National Energy Research Scientific Computing Center,
which is supported by the Office of Science, U.S. Department of Energy
under Contract No. DEAC02-05CH11231.
NR 34
TC 17
Z9 17
U1 3
U2 73
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 29
BP 15590
EP 15596
DI 10.1039/c4cp01510j
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AL5KY
UT WOS:000339173700062
PM 24953742
ER
PT S
AU Skaugen, A
Shukla, DK
Feyerherm, R
Dudzik, E
Islam, Z
Strempfer, J
AF Skaugen, A.
Shukla, D. K.
Feyerherm, R.
Dudzik, E.
Islam, Z.
Strempfer, J.
GP IOP
TI Magnetic order in GdMnO3 in magnetic fields
SO REXS 2013 - WORKSHOP ON RESONANT ELASTIC X-RAY SCATTERING IN CONDENSED
MATTER
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT Workshop on Resonant Elastic X-ray Scattering in Condensed Matter (REXS)
CY JUL 15-19, 2013
CL Oxford, ENGLAND
ID POLARIZATION; SCATTERING
AB Resonant magnetic x-ray scattering at the Gd L-2 edge is used to investigate the magnetic order of the Gd moments in the ferroelectric phase of multiferroic GdMnO3 at low temperatures and under magnetic fields. Our findings reaffirm the important role of the Gd moments in the symmetric magnetic exchange striction responsible for ferroelectricity in this compound.
C1 [Skaugen, A.; Shukla, D. K.; Strempfer, J.] Deutsch Elektronen Synchrotron DESY, D-22603 Hamburg, Germany.
[Feyerherm, R.; Dudzik, E.] Helmholtz Zentrum Berlin, BESSY II, D-12489 Berlin, Germany.
[Islam, Z.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Shukla, D. K.] UGC DAE, Consortium Sci Res, Indore 01, Madhya Pradesh, India.
RP Skaugen, A (reprint author), Deutsch Elektronen Synchrotron DESY, D-22603 Hamburg, Germany.
EM arvid.skaugen@desy.de
RI Feyerherm, Ralf/F-5487-2013
OI Feyerherm, Ralf/0000-0003-3034-4210
FU U. S. DOE [DE-AC02-06CH11357]
FX Use of the Advanced Photon Source, an Office of Science User Facility
operated for the U. S. Department of Energy ( DOE) Office of Science by
Argonne National Laboratory, was supported by the U. S. DOE under
Contract No. DE-AC02-06CH11357.
NR 17
TC 3
Z9 3
U1 5
U2 17
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 519
AR UNSP 012007
DI 10.1088/1742-6596/519/1/012007
PG 4
WC Physics, Multidisciplinary; Physics, Condensed Matter
SC Physics
GA BA9DX
UT WOS:000339282300007
ER
PT J
AU Cao, YX
Zhang, XD
Kou, BQ
Li, XT
Xiao, XH
Fezzaa, K
Wang, YJ
AF Cao, Yixin
Zhang, Xiaodan
Kou, Binquan
Li, Xiangting
Xiao, Xianghui
Fezzaa, Kamel
Wang, Yujie
TI A dynamic synchrotron X-ray imaging study of effective temperature in a
vibrated granular medium
SO SOFT MATTER
LA English
DT Article
ID MATTER; FLOW; MOBILITY; SYSTEMS
AB We present a dynamic synchrotron X-ray imaging study of the effective temperature T-eff in a vibrated granular medium. By tracking the directed motion and the fluctuation dynamics of the tracers inside, we obtained T-eff of the system using the Einstein relationship. We found that as the system unjams with increasing vibration intensities Gamma, the structural relaxation time tau increases substantially which can be fitted by an Arrhenius law using T-eff. And the characteristic energy scale of structural relaxation yielded by the Arrhenius fitting is E = 0.20 +/- 0.02pd(3), where p is the pressure and d is the background particle diameter, which is consistent with those from hard sphere simulations in which the structural relaxation happens via the opening up of free volume against pressure.
C1 [Cao, Yixin; Zhang, Xiaodan; Kou, Binquan; Li, Xiangting; Wang, Yujie] Shanghai Jiao Tong Univ, Dept Phys & Astron, Shanghai 200240, Peoples R China.
[Xiao, Xianghui; Fezzaa, Kamel] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA.
RP Wang, YJ (reprint author), Shanghai Jiao Tong Univ, Dept Phys & Astron, 800 Dongchuan Rd, Shanghai 200240, Peoples R China.
EM yujiewang@sjtu.edu.cn
RI wang, yujie/C-2582-2015; Kou, Binquan/O-8302-2016
FU Chinese National Science Foundation [11175121]; National Basic Research
Program of China (973 Program) [2010CB834301]; U. S. Department of
Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-06CH11357]
FX We thank Thomas K. Haxton and Ning Xu for many helpful discussions. Some
of the initial work has been carried out at BL13W1 beamline of Shanghai
Synchrotron Radiation Facility (SSRF), and the work is supported by the
Chinese National Science Foundation no. 11175121, and the National Basic
Research Program of China (973 Program; 2010CB834301). The use of the
APS was supported by the U. S. Department of Energy, Office of Science,
Office of Basic Energy Sciences, under Contract no. DE-AC02-06CH11357.
NR 45
TC 0
Z9 0
U1 0
U2 15
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 2014
VL 10
IS 29
BP 5398
EP 5404
DI 10.1039/c4sm00602j
PG 7
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA AL3FS
UT WOS:000339012500017
PM 24930865
ER
PT J
AU Thiel, T
Pratte, BS
Zhong, JS
Goodwin, L
Copeland, A
Lucas, S
Han, C
Pitluck, S
Land, ML
Kyrpides, NC
Woyke, T
AF Thiel, Teresa
Pratte, Brenda S.
Zhong, Jinshun
Goodwin, Lynne
Copeland, Alex
Lucas, Susan
Han, Cliff
Pitluck, Sam
Land, Miriam L.
Kyrpides, Nikos C.
Woyke, Tanja
TI Complete genome sequence of Anabaena variabilis ATCC 29413
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
ID BLUE-GREEN-ALGA; FLOS-AQUAE A-37; FILAMENTOUS CYANOBACTERIUM;
NITROGENASE ACTIVITY; CONTINUOUS CULTURE; EXTRACELLULAR POLYSACCHARIDES;
DEPENDENT NITROGENASE; ISOLATED HETEROCYSTS; VEGETATIVE CELLS;
PHOTOSYSTEM-I
AB Anabaena variabilis ATCC 29413 is a filamentous, heterocyst-forming cyanobacterium that has served as a model organism, with an extensive literature extending over 40 years. The strain has three distinct nitrogenases that function under different environmental conditions and is capable of photoautotrophic growth in the light and true heterotrophic growth in the dark using fructose as both carbon and energy source. While this strain was first isolated in 1964 in Mississippi and named Anabaena flos-aquae MSU A-37, it clusters phylogenetically with cyanobacteria of the genus Nostoc. The strain is a moderate thermophile, growing well at approximately 40 degrees C. Here we provide some additional characteristics of the strain, and an analysis of the complete genome sequence.
C1 [Thiel, Teresa; Pratte, Brenda S.; Zhong, Jinshun] Univ Missouri, Dept Biol, St Louis, MO 63121 USA.
[Copeland, Alex; Pitluck, Sam; Kyrpides, Nikos C.; Woyke, Tanja] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Lucas, Susan] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Copeland, Alex; Pitluck, Sam; Kyrpides, Nikos C.; Woyke, Tanja] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Goodwin, Lynne; Han, Cliff] Los Alamos Natl Lab, Los Alamos, NM USA.
[Land, Miriam L.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Thiel, T (reprint author), Univ Missouri, Dept Biol, 8001 Nat Bridge Rd, St Louis, MO 63121 USA.
EM thiel@umsl.edu
RI Land, Miriam/A-6200-2011; Kyrpides, Nikos/A-6305-2014
OI Land, Miriam/0000-0001-7102-0031; Kyrpides, Nikos/0000-0002-6131-0462
FU National Science Foundation [MCB-1052241]; Office of Science of the U.S.
Department of Energy [DE-AC02-05CH11231]
FX Support for this research was provided to Teresa Thiel by National
Science Foundation grant MCB-1052241. The work conducted by the U.S.
Department of Energy Joint Genome Institute is supported by the Office
of Science of the U.S. Department of Energy under contract No.
DE-AC02-05CH11231.
NR 64
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U1 0
U2 12
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
BP 562
EP 573
DI 10.4056/sigs.3899418
PG 12
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000060
PM 25197444
ER
PT J
AU Reeve, W
Ballard, R
Drew, E
Tian, R
Brau, L
Goodwin, L
Huntemann, M
Han, J
Tatiparthi, R
Chen, A
Mavrommatis, K
Markowitz, V
Palaniappan, K
Ivanova, N
Pati, A
Woyke, T
Kyrpides, N
AF Reeve, Wayne
Ballard, Ross
Drew, Elizabeth
Tian, Rui
Braeu, Lambert
Goodwin, Lynne
Huntemann, Marcel
Han, James
Tatiparthi, Reddy
Chen, Amy
Mavrommatis, Konstantinos
Markowitz, Victor
Palaniappan, Krishna
Ivanova, Natalia
Pati, Amrita
Woyke, Tanja
Kyrpides, Nikos
TI Genome sequence of the Medicago-nodulating Ensifer meliloti commercial
inoculant strain RRI128
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE root-nodule bacteria; nitrogen fixation; rhizobia; Alphaproteobacteria
ID SINORHIZOBIUM-MELILOTI; RHIZOBIUM-MELILOTI; NITROGEN-FIXATION; SOLUTION
CULTURE; LEGUME SEED; RNA GENES; ACID; ANNOTATION; BACTERIA; DATABASE
AB Ensifer meliloti strain RRI128 is an aerobic, motile, Gram-negative, non-spore-forming rod. RRI128 was isolated from a nodule recovered from the roots of barrel medic (Medicago truncatula) grown in the greenhouse and inoculated with soil collected from Victoria, Australia. The strain is used in commercial inoculants in Australia. RRI128 nodulates and forms an effective symbiosis with a diverse range of lucerne cultivars (Medicago sativa) and several species of annual medic (M. truncatula, Medicago littoralis and Medicago tornata), but forms an ineffective symbiosis with Medicago polymorpha. Here we describe the features of E. meliloti strain RRI128, together with genome sequence information and annotation. The 6,900,273 bp draft genome is arranged into 156 scaffolds of 157 contigs, contains 6,683 protein-coding genes and 87 RNA-only encoding genes, and is one of 100 rhizobial genomes sequenced as part of the DOE Joint Genome Institute 2010 Genomic Encyclopedia for Bacteria and Archaea-Root Nodule Bacteria (GEBA-RNB) project.
C1 [Reeve, Wayne; Tian, Rui] Murdoch Univ, Ctr Rhizobium Studies, Murdoch, WA 6150, Australia.
[Ballard, Ross; Drew, Elizabeth] South Australian Res & Dev Inst, Urrbrae, SA, Australia.
[Braeu, Lambert; Kyrpides, Nikos] Deakin Univ, Sch Life & Environm Sci, Geelong, Vic 3217, Australia.
[Goodwin, Lynne] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Huntemann, Marcel; Han, James; Tatiparthi, Reddy; Ivanova, Natalia; Pati, Amrita; Woyke, Tanja; Kyrpides, Nikos] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Chen, Amy; Mavrommatis, Konstantinos; Markowitz, Victor; Palaniappan, Krishna] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA.
RP Reeve, W (reprint author), Murdoch Univ, Ctr Rhizobium Studies, Murdoch, WA 6150, Australia.
EM W.Reeve@murdoch.edu.au
RI Kyrpides, Nikos/A-6305-2014;
OI Kyrpides, Nikos/0000-0002-6131-0462; Ivanova,
Natalia/0000-0002-5802-9485
FU US Department of Energy's Office of Science, Biological and
Environmental Research Program; University of California, Lawrence
Berkeley National Laboratory [DE-AC02-05CH11231]; Lawrence Livermore
National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory
[DE-AC02-06NA25396]; Murdoch University Strategic Research Fund through
the Crop and Plant Research Institute (CaPRI); Centre for Rhizobium
Studies (CRS) at Murdoch University
FX This work was performed under the auspices of the US Department of
Energy's Office of Science, Biological and Environmental Research
Program, and by the University of California, Lawrence Berkeley National
Laboratory under contract No. DE-AC02-05CH11231, Lawrence Livermore
National Laboratory under Contract No. DE-AC52-07NA27344, and Los Alamos
National Laboratory under contract No. DE-AC02-06NA25396. We gratefully
acknowledge the funding received from the Murdoch University Strategic
Research Fund through the Crop and Plant Research Institute (CaPRI) and
the Centre for Rhizobium Studies (CRS) at Murdoch University.
NR 44
TC 2
Z9 2
U1 0
U2 7
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
BP 602
EP 613
DI 10.4056/sigs.4929626
PG 12
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000062
PM 25197447
ER
PT J
AU Kyrpides, NC
Woyke, T
Eisen, JA
Garrity, G
Lilburn, TG
Beck, BJ
Whitman, WB
Hugenholtz, P
Klenk, HP
AF Kyrpides, Nikos C.
Woyke, Tanja
Eisen, Jonathan A.
Garrity, George
Lilburn, Timothy G.
Beck, Brian J.
Whitman, William B.
Hugenholtz, Phil
Klenk, Hans-Peter
TI Genomic Encyclopedia of Type Strains, Phase I: The one thousand
microbial genomes (KMG-I) project
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
ID NOMENCLATURE; PUBLICATION; STANDARDS
AB The Genomic Encyclopedia of Bacteria and Archaea (GEBA) project was launched by the JGI in 2007 as a pilot project with the objective of sequencing 250 bacterial and archaeal genomes. The two major goals of that project were (a) to test the hypothesis that there are many benefits to the use the phylogenetic diversity of organisms in the tree of life as a primary criterion for generating their genome sequence and (b) to develop the necessary framework, technology and organization for large-scale sequencing of microbial isolate genomes. While the GEBA pilot project has not yet been entirely completed, both of the original goals have already been successfully accomplished, leading the way for the next phase of the project.
Here we propose taking the GEBA project to the next level, by generating high quality draft genomes for 1,000 bacterial and archaeal strains. This represents a combined 16-fold increase in both scale and speed as compared to the GEBA pilot project (250 isolate genomes in 4+ years). We will follow a similar approach for organism selection and sequencing prioritization as was done for the GEBA pilot project (i.e. phylogenetic novelty, availability and growth of cultures of type strains and DNA extraction capability), focusing on type strains as this ensures reproducibility of our results and provides the strongest linkage between genome sequences and other knowledge about each strain. In turn, this project will constitute a pilot phase of a larger effort that will target the genome sequences of all available type strains of the Bacteria and Archaea.
C1 [Kyrpides, Nikos C.; Woyke, Tanja] US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA.
[Eisen, Jonathan A.] Univ Calif Davis, Davis, CA 95616 USA.
[Garrity, George] Michigan State Univ, Dept Microbiol & Mol Genet, E Lansing, MI 48824 USA.
[Garrity, George] NamesforLife LLC, E Lansing, MI USA.
[Lilburn, Timothy G.; Beck, Brian J.] Amer Type Culture Collect, Manassas, VA USA.
[Whitman, William B.] Univ Georgia, Dept Microbiol, Athens, GA 30602 USA.
[Hugenholtz, Phil] Univ Queensland, Australian Ctr Ecogen, Brisbane, Qld 4072, Australia.
[Klenk, Hans-Peter] Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
RP Kyrpides, NC (reprint author), US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA.
EM nckyrpides@lbl.gov
RI Kyrpides, Nikos/A-6305-2014;
OI Kyrpides, Nikos/0000-0002-6131-0462; Garrity,
George/0000-0002-4465-7034; Eisen, Jonathan A./0000-0002-0159-2197
FU US Department of Energy's Office of Science, Biological and
Environmental Research Program; University of California, Lawrence
Berkeley National Laboratory [DE-AC02-05CH11231]
FX This work was performed under the auspices of the US Department of
Energy's Office of Science, Biological and Environmental Research
Program, and by the University of California, Lawrence Berkeley National
Laboratory under contract No. DE-AC02-05CH11231.
NR 20
TC 25
Z9 25
U1 0
U2 7
PU GENOMIC STAND CONSORT
PI EAST LANSING
PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS
SCI BLDG, EAST LANSING, MI 48824 USA
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
BP 628
EP 634
DI 10.4056/sigs.5068949
PG 8
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000066
ER
PT J
AU Hawley, ER
Piao, HL
Scott, NM
Malfatti, S
Pagani, I
Huntemann, M
Chen, A
del Rio, TG
Foster, B
Copeland, A
Jansson, J
Pati, A
Tringe, S
Gilbert, JA
Lorenson, TD
Hess, M
AF Hawley, Erik R.
Piao, Hailan
Scott, Nicole M.
Malfatti, Stephanie
Pagani, Ioanna
Huntemann, Marcel
Chen, Amy
del Rio, Tijana Glavina
Foster, Brian
Copeland, Alex
Jansson, Janet
Pati, Amrita
Tringe, Susannah
Gilbert, Jack A.
Lorenson, Thomas D.
Hess, Matthias
TI Metagenomic analysis of microbial consortium from natural crude oil that
seeps into the marine ecosystem offshore Southern California
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE Bioremediation; hydrocarbon-degradation; marine ecosystem; crude oil;
natural oil seeps; anaerobic methane oxidation; bacteria; archaea;
metagenomics
ID GULF-OF-MEXICO; ANAEROBIC METHANE OXIDATION; SANTA-BARBARA CHANNEL;
REDUCING BACTERIUM; HYDROCARBON SEEPS; GENOME SEQUENCE; STORAGE CAVITY;
GEN. NOV.; SEDIMENTS; SPILL
AB Crude oils can be major contaminants of the marine ecosystem and microorganisms play a significant role in the degradation of its main constituents. To increase our understanding of the microbial hydrocarbon degradation process in the marine ecosystem, we collected crude oil from an active seep area located in the Santa Barbara Channel (SBC) and generated a total of about 52 Gb of raw metagenomic sequence data. The assembled data comprised similar to 500 Mb, representing similar to 1.1 million genes derived primarily from chemolithoautotrophic bacteria. Members of Oceanospirillales, a bacterial order belonging to the Deltaproteobacteria, recruited less than 2% of the assembled genes within the SBC metagenome. In contrast, the microbial community associated with the oil plume that developed in the aftermath of the Deepwater Horizon (DWH) blowout in 2010, was dominated by Oceanospirillales, which comprised more than 60% of the metagenomic data generated from the DWH oil plume. This suggests that Oceanospirillales might play a less significant role in the microbially mediated hydrocarbon conversion within the SBC seep oil compared to the DWH plume oil. We hypothesize that this difference results from the SBC oil seep being mostly anaerobic, while the DWH oil plume is aerobic. Within the Archaea, the phylum Euryarchaeota, recruited more than 95% of the assembled archaeal sequences from the SBC oil seep metagenome, with more than 50% of the sequences assigned to members of the orders Methanomicrobiales and Methanosarcinales. These orders contain organisms capable of anaerobic methanogenesis and methane oxidation (AOM) and we hypothesize that these orders - and their metabolic capabilities - may be fundamental to the ecology of the SBC oil seep.
C1 [Hawley, Erik R.; Piao, Hailan] Washington State Univ Tricities, Richland, WA 99354 USA.
[Scott, Nicole M.; Gilbert, Jack A.] Argonne Natl Lab, Lemont, IL USA.
[Malfatti, Stephanie] Lawrence Livermore Natl Lab, Biosci & Biotechnol Div, Livermore, CA USA.
[Pagani, Ioanna; Huntemann, Marcel; Chen, Amy; del Rio, Tijana Glavina; Foster, Brian; Copeland, Alex; Jansson, Janet; Pati, Amrita; Tringe, Susannah; Hess, Matthias] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Jansson, Janet; Tringe, Susannah] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Gilbert, Jack A.] Univ Chicago, Chicago, IL 60637 USA.
[Lorenson, Thomas D.] USGS, Menlo Pk, CA USA.
[Hess, Matthias] Washington State Univ, Pullman, WA 99164 USA.
[Hess, Matthias] Pacific NW Natl Lab, Chem & Biol Proc Dev Grp, Richland, WA 99352 USA.
[Hess, Matthias] Environm Mol Sci Lab, Richland, WA USA.
RP Hess, M (reprint author), Washington State Univ Tricities, Richland, WA 99354 USA.
EM mhess@lbl.gov
OI Tringe, Susannah/0000-0001-6479-8427
FU Washington State University; Office of Science of the U.S. Department of
Energy [DE-AC02-05CH11231]; U.S. Deptartment of Energy
[DE-AC02-06CH11357]
FX MHess, ERH, HP and the work performed in the laboratory of MHess were
funded by Washington State University. The work conducted by the U.S.
Department of Energy Joint Genome Institute was supported by the Office
of Science of the U.S. Department of Energy under Contract No.
DE-AC02-05CH11231. Work conducted by NMS and JAG was supported by the
U.S. Deptartment of Energy under Contract DE-AC02-06CH11357. We are
extremely thankful to our colleagues who provided letters of support for
our CSP proposal. Additional thanks go to staff members of the Chemical
and Biological Process Development Group - in particular David Culley,
Jon Magnuson, Kenneth Bruno, Jim Collett, and Scott Baker - and the
Microbial Community Initiative - in particular Allan Konopka, Jim
Fredrickson and Steve Lindeman - at PNNL for scientific discussions
throughout the project. Conception and design of the experiments: MHess,
TDL, JAG, JJ; Performance of the experiments: MHess, ERH, TDL;
Generation and processing of data: MHess, ERH, HP, SM, TGR, ST, BF, AC,
IP, MHuntemann; Analysis of the data: MHess, ERH, SM, AC, AP; Drafting
of this article: MHess, NMS, TDL, JAG, ST, JJ
NR 61
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U1 0
U2 48
PU GENOMIC STAND CONSORT
PI EAST LANSING
PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS
SCI BLDG, EAST LANSING, MI 48824 USA
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
BP 635
EP 650
DI 10.4056/sigs.5029016
PG 16
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000068
PM 25197496
ER
PT J
AU Biddle, AS
Leschine, S
Huntemann, M
Han, J
Chen, A
Kyrpides, N
Markowitz, V
Palaniappan, K
Ivanova, N
Mikhailova, N
Ovchinnikova, G
Schaumberg, A
Pati, A
Stamatis, D
Reddy, T
Lobos, E
Goodwin, L
Nordberg, HP
Cantor, MN
Hua, SX
Woyke, T
Blanchard, JL
AF Biddle, Amy S.
Leschine, Susan
Huntemann, Marcel
Han, James
Chen, Amy
Kyrpides, Nikos
Markowitz, Victor
Palaniappan, Krishna
Ivanova, Natalia
Mikhailova, Natalia
Ovchinnikova, Galina
Schaumberg, Andrew
Pati, Amrita
Stamatis, Dimitrios
Reddy, Tatiparthi
Lobos, Elizabeth
Goodwin, Lynne
Nordberg, Henrik P.
Cantor, Michael N.
Hua, Susan X.
Woyke, Tanja
Blanchard, Jeffrey L.
TI The complete genome sequence of Clostridium indolis DSM 755(T)
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE Clostridium indolis; citrate; lactate; aromatic degradation; nitrogen
fixation; bacterial microcompartments
ID NEIGHBOR-JOINING METHOD; NITROGEN-FIXATION; CITRATE UTILIZATION; SP-NOV;
BACTERIA; GENES; DEGRADATION; SYSTEM; SACCHAROLYTICUM; FERMENTATION
AB Clostridium indolis DSM 755(T) is a bacterium commonly found in soils and the feces of birds and mammals. Despite its prevalence, little is known about the ecology or physiology of this species. However, close relatives, C. saccharolyticum and C. hathewayi, have demonstrated interesting metabolic potentials related to plant degradation and human health. The genome of C. indolis DSM 755(T) reveals an abundance of genes in functional groups associated with the transport and utilization of carbohydrates, as well as citrate, lactate, and aromatics. Ecologically relevant gene clusters related to nitrogen fixation and a unique type of bacterial microcompartment, the CoAT BMC, are also detected. Our genome analysis suggests hypotheses to be tested in future culture based work to better understand the physiology of this poorly described species.
C1 [Biddle, Amy S.] Univ Massachusetts, Dept Microbiol, Amherst, MA 01003 USA.
[Biddle, Amy S.; Blanchard, Jeffrey L.] Univ Massachusetts, Inst Cellular Engn, Amherst, MA 01003 USA.
[Leschine, Susan] Univ Massachusetts, Dept Vet & Anim Sci, Amherst, MA 01003 USA.
[Huntemann, Marcel; Han, James; Chen, Amy; Kyrpides, Nikos; Markowitz, Victor; Palaniappan, Krishna; Ivanova, Natalia; Mikhailova, Natalia; Ovchinnikova, Galina; Schaumberg, Andrew; Pati, Amrita; Stamatis, Dimitrios; Reddy, Tatiparthi; Lobos, Elizabeth; Goodwin, Lynne; Nordberg, Henrik P.; Cantor, Michael N.; Hua, Susan X.; Woyke, Tanja] Joint Genome Inst, Walnut Creek, CA USA.
[Blanchard, Jeffrey L.] Univ Massachusetts, Dept Biol, Amherst, MA 01003 USA.
[Blanchard, Jeffrey L.] Univ Massachusetts, Grad Program Organismal & Evolutionary Biol, Amherst, MA 01003 USA.
RP Biddle, AS (reprint author), Univ Massachusetts, Dept Microbiol, Amherst, MA 01003 USA.
EM abiddle@microbio.umass.edu
NR 63
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Z9 1
U1 1
U2 5
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
PG 19
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000047
ER
PT J
AU Davies, N
Field, D
Amaral-Zettler, L
Barker, K
Bicak, M
Bourlat, S
Coddington, J
Deck, J
Drummond, A
Gilbert, JA
Glockner, FO
Kottmann, R
Meyer, C
Morrison, N
Obst, M
Robbins, R
Schriml, L
Sterk, P
Stones-Havas, S
AF Davies, Neil
Field, Dawn
Amaral-Zettler, Linda
Barker, Katharine
Bicak, Mesude
Bourlat, Sarah
Coddington, Jonathan
Deck, John
Drummond, Alexei
Gilbert, Jack A.
Gloeckner, Frank Oliver
Kottmann, Renzo
Meyer, Chris
Morrison, Norman
Obst, Matthias
Robbins, Robert
Schriml, Lynn
Sterk, Peter
Stones-Havas, Steven
TI Report of the 14(th) Genomic Standards Consortium Meeting, Oxford, UK,
September 17-21, 2012.
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
AB This report summarizes the proceedings of the 14(th) workshop of the Genomic Standards Consortium (GSC) held at the University of Oxford in September 2012. The primary goal of the workshop was to work towards the launch of the Genomic Observatories (GOs) Network under the GSC. For the first time, it brought together potential GOs sites, GSC members, and a range of interested partner organizations. It thus represented the first meeting of the GOs Network (GOs1). Key outcomes include the formation of a core group of "champions" ready to take the GOs Network forward, as well as the formation of working groups. The workshop also served as the first meeting of a wide range of participants in the Ocean Sampling Day (OSD) initiative, a first GOs action. Three projects with complementary interests - COST Action ES1103, MG4U and Micro B3 -organized joint sessions at the workshop. A two-day GSC Hackathon followed the main three days of meetings. Copyright (C) retained by original authors
C1 [Davies, Neil; Deck, John] Univ Calif Berkeley, Gump South Pacific Res Stn, Moorea, Fr Polynesia.
[Davies, Neil; Field, Dawn] Univ Oxford, Biodivers Inst, Dept Zool, Oxford OX1 3PS, England.
[Field, Dawn; Bicak, Mesude] Ctr Ecol & Hydrol, Wallingford OX10 8BB, Oxon, England.
[Field, Dawn; Sterk, Peter] Univ Oxford, Oxford E Res Ctr, Oxford OX1 3QG, England.
[Amaral-Zettler, Linda] Marine Biol Lab, Josephine Bay Paul Ctr Comparat Mol Biol & Evolut, Woods Hole, MA 02543 USA.
[Barker, Katharine; Coddington, Jonathan; Meyer, Chris] Smithsonian Inst, Natl Museum Nat Hist, Off Associate Director Sci, Washington, DC 20560 USA.
[Bourlat, Sarah; Obst, Matthias] Univ Gothenburg, Dept Biol & Environm Sci, SE-40530 Gothenburg, Sweden.
[Deck, John] Univ Calif Berkeley, Berkeley Nat Hist Museums, Berkeley, CA 94720 USA.
[Drummond, Alexei] Univ Auckland, Dept Comp Sci, Auckland 1, New Zealand.
[Drummond, Alexei] Univ Auckland, Allan Wilson Ctr Mol Ecol & Evolut, Auckland 1, New Zealand.
[Gilbert, Jack A.] Argonne Natl Lab, Inst Genom & Syst Biol, Argonne, IL 60439 USA.
[Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA.
[Gloeckner, Frank Oliver; Kottmann, Renzo] Max Planck Inst Marine Microbiol, Microbial Genom Grp, D-28359 Bremen, Germany.
[Gloeckner, Frank Oliver; Kottmann, Renzo] Jacobs Univ Bremen, D-28759 Bremen, Germany.
[Morrison, Norman] Univ Manchester, Manchester, Lancs, England.
[Robbins, Robert] Univ Calif San Diego, La Jolla, CA 92093 USA.
[Schriml, Lynn] Univ Maryland, Sch Med, Inst Genome Sci, Baltimore, MD 21201 USA.
[Stones-Havas, Steven] Biomatters Ltd, Auckland, New Zealand.
RP Field, D (reprint author), Univ Oxford, Biodivers Inst, Dept Zool, Tinbergen Bldg,S Parks Rd, Oxford OX1 3PS, England.
EM dfield@ceh.ac.uk
OI Sterk, Peter/0000-0003-1668-7778
FU US National Science Foundation through the research coordination network
award [RCN4GSC, DBI-0840989]; Gordon and Betty Moore Foundation; COST
[ActionES1103]; European Union's Seventh Framework Programme (FP7)
[266055]; Marine Genomics for Users EU FP7 project [266055, call
FP7-KBBE-2010-4]; Eppendorf; Biomatters Ltd.
FX This work was supported in part by the US National Science Foundation
through the research coordination network award RCN4GSC, DBI-0840989 and
in part by a grant from the Gordon and Betty Moore Foundation, and
travel grants of COST ActionES1103. The stakeholder session was
supported by the European Union's Seventh Framework Programme (FP7
/2007-2013) under grant agreement no 266055, and the Marine Genomics for
Users EU FP7 project (Coordination and support action, call
FP7-KBBE-2010-4) grant no. 266055. We thank Eppendorf and Biomatters
Ltd. for their sponsorship of the meeting. We are grateful to the
University of Oxford's Zoology Department and Oxford's e-Research Centre
for hosting us. We would like to thank all the members of the GSC and
new participants in the GOs Network for their insightful contributions
to the meeting.
NR 11
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U1 2
U2 6
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
DI 10.4056/sigs.4319681
PG 21
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000046
ER
PT J
AU Durham, BP
Grote, J
Whittaker, KA
Bender, SJ
Luo, HW
Grim, SL
Brown, JM
Casey, JR
Dron, A
Florez-Leiva, L
Krupke, A
Luria, CM
Mine, AH
Nigro, OD
Pather, S
Talarmin, A
Wear, EK
Weber, TS
Wilson, JM
Church, MJ
DeLong, EF
Karl, DM
Steward, GF
Eppley, JM
Kyrpides, NC
Schuster, S
Rappe, MS
AF Durham, Bryndan P.
Grote, Jana
Whittaker, Kerry A.
Bender, Sara J.
Luo, Haiwei
Grim, Sharon L.
Brown, Julia M.
Casey, John R.
Dron, Antony
Florez-Leiva, Lennin
Krupke, Andreas
Luria, Catherine M.
Mine, Aric H.
Nigro, Olivia D.
Pather, Santhiska
Talarmin, Agathe
Wear, Emma K.
Weber, Thomas S.
Wilson, Jesse M.
Church, Matthew J.
DeLong, Edward F.
Karl, David M.
Steward, Grieg F.
Eppley, John M.
Kyrpides, Nikos C.
Schuster, Stephan
Rappe, Michael S.
TI Draft genome sequence of marine alphaproteobacterial strain HIMB11, the
first cultivated representative of a unique lineage within the
Roseobacter clade possessing an unusually small genome
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE marine bacterioplankton; Roseobacter; aerobic anoxygenic phototroph;
dimethylsulfoniopropionate
ID DIMETHYLSULFONIOPROPIONATE DMSP; RNA GENES; BACTERIOPLANKTON; BACTERIA;
DIMETHYLSULFIDE; COMMUNITIES; ENVIRONMENT; ANNOTATION; ARCHAEA; BIOLOGY
AB Strain HIMB11 is a planktonic marine bacterium isolated from coastal seawater in Kaneohe Bay, Oahu, Hawaii belonging to the ubiquitous and versatile Roseobacter clade of the alphaproteobacterial family Rhodobacteraceae. Here we describe the preliminary characteristics of strain HIMB11, including annotation of the draft genome sequence and comparative genomic analysis with other members of the Roseobacter lineage. The 3,098,747 bp draft genome is arranged in 34 contigs and contains 3,183 protein- coding genes and 54 RNA genes. Phylogenomic and 16S rRNA gene analyses indicate that HIMB11 represents a unique sublineage within the Roseobacter clade. Comparison with other publicly available genome sequences from members of the Roseobacter lineage reveals that strain HIMB11 has the genomic potential to utilize a wide variety of energy sources (e.g. organic matter, reduced inorganic sulfur, light, carbon monoxide), while possessing a reduced number of substrate transporters.
C1 [Durham, Bryndan P.; Grote, Jana; Whittaker, Kerry A.; Bender, Sara J.; Grim, Sharon L.; Brown, Julia M.; Casey, John R.; Dron, Antony; Florez-Leiva, Lennin; Krupke, Andreas; Luria, Catherine M.; Mine, Aric H.; Nigro, Olivia D.; Pather, Santhiska; Talarmin, Agathe; Wear, Emma K.; Weber, Thomas S.; Wilson, Jesse M.; Church, Matthew J.; DeLong, Edward F.; Karl, David M.; Steward, Grieg F.; Eppley, John M.; Kyrpides, Nikos C.; Schuster, Stephan; Rappe, Michael S.] Univ Hawaii, Ctr Microbial Oceanog Res & Educ, Honolulu, HI 96822 USA.
[Durham, Bryndan P.] Univ Georgia, Dept Microbiol, Athens, GA 30602 USA.
[Grote, Jana; Casey, John R.; Nigro, Olivia D.; Church, Matthew J.; Karl, David M.; Steward, Grieg F.] Univ Hawaii, Dept Oceanog, Honolulu, HI 96822 USA.
[Whittaker, Kerry A.] Univ Rhode Isl, Grad Sch Oceanog, Narragansett, RI 02882 USA.
[Bender, Sara J.] Univ Washington, Sch Oceanog, Seattle, WA 98195 USA.
[Luo, Haiwei] Univ Georgia, Dept Marine Sci, Athens, GA 30602 USA.
[Grim, Sharon L.] Marine Biol Lab, Woods Hole, MA 02543 USA.
[Brown, Julia M.] Cornell Univ, Dept Microbiol, Ithaca, NY USA.
[Dron, Antony] Observ Oceanol Villefranche, Villefranche Sur Mer, France.
[Florez-Leiva, Lennin] Univ Magdalena, Santa Marta, Colombia.
[Krupke, Andreas] Max Plank Inst Marine Microbiol, Bremen, Germany.
[Luria, Catherine M.] Brown Univ, Dept Ecol & Evolutionary Biol, Providence, RI 02912 USA.
[Mine, Aric H.] Univ Chicago, Dept Geophys Sci, Chicago, IL 60637 USA.
[Pather, Santhiska] Univ Massachusetts Dartmouth, Sch Marine Sci & Technol, Dartmouth, MA USA.
[Talarmin, Agathe] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA USA.
[Wear, Emma K.] Univ Calif Santa Barbara, Inst Marine Sci, Santa Barbara, CA 93106 USA.
[Weber, Thomas S.] Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Los Angeles, CA USA.
[Wilson, Jesse M.] Univ Calif Merced, Sch Nat Sci, Merced, CA USA.
[DeLong, Edward F.; Eppley, John M.] MIT, Dept Civil & Environm Engn, Cambridge, MA 02139 USA.
[Kyrpides, Nikos C.] Joint Genome Inst, Dept Energy, Walnut Creek, CA USA.
RP Rappe, MS (reprint author), Univ Hawaii, Ctr Microbial Oceanog Res & Educ, Honolulu, HI 96822 USA.
EM rappe@hawaii.edu
RI Wear, Emma/L-1525-2013; Steward, Grieg/D-9768-2011; Kyrpides,
Nikos/A-6305-2014;
OI Wear, Emma/0000-0002-4811-5363; Steward, Grieg/0000-0001-5988-0522;
Kyrpides, Nikos/0000-0002-6131-0462; Casey, John/0000-0002-8630-0551
FU Gordon and Betty Moore Foundation; Agouron Institute; University of
Hawaii; Manoa School of Ocean and Earth Science and Technology (SOEST);
Center for Microbial Oceanography: Research and Education (C-MORE), a
National Science Foundation [EF0424599]
FX We thank the entire C-MORE staff and visiting scientists for support and
instruction during the 2011 Summer Course in Microbial Oceanography. Dr.
Mary Ann Moran at the University of Georgia provided invaluable
instruction on Roseobacter genomics and bioinformatic analyses. We
gratefully acknowledge the support of the Gordon and Betty Moore
Foundation, which funded the sequencing of this genome. Annotation was
performed as part of the 2011 C-MORE Summer Course in Microbial
Oceanography
(http://cmore.soest.hawaii.edu/summercourse/2011/index.htm), with
support by the Agouron Institute, the Gordon and Betty Moore Foundation,
the University of Hawaii and Manoa School of Ocean and Earth Science and
Technology (SOEST), and the Center for Microbial Oceanography: Research
and Education (C-MORE), a National Science Foundation-funded Science and
Technology Center (award No. EF0424599).
NR 50
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PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
DI 10.4056/sigs.4998989
PG 14
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000067
PM 25197450
ER
PT J
AU Gilbert, JA
Dick, GJ
Jenkins, B
Heidelberg, J
Allen, E
Mackey, KRM
DeLong, EF
AF Gilbert, Jack A.
Dick, Gregory J.
Jenkins, Bethany
Heidelberg, John
Allen, Eric
Mackey, Katherine R. M.
DeLong, Edward F.
TI Meeting report: Ocean 'omics science, technology and
cyberinfrastructure: current challenges and future requirements (August
20-23, 2013)
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
ID METAGENOMICS
AB The National Science Foundation's EarthCube End User Workshop was held at USC Wrigley Marine Science Center on Catalina Island, California in August 2013. The workshop was designed to explore and characterize the needs and tools available to the community that is focusing on microbial and physical oceanography research with a particular emphasis on 'omic research. The assembled researchers outlined the existing concerns regarding the vast data resources that are being generated, and how we will deal with these resources as their volume and diversity increases. Particular attention was focused on the tools for handling and analyzing the existing data, on the need for the construction and curation of diverse federated databases, as well as development of shared, interoperable, "big-data capable" analytical tools. The key outputs from this workshop include (i) critical scientific challenges and cyber infrastructure constraints, (ii) the current and future ocean 'omics science grand challenges and questions, and (iii) data management, analytical and associated and cyber-infrastructure capabilities required to meet critical current and future scientific challenges. The main thrust of the meeting and the outcome of this report is a definition of the 'omics tools, technologies and infrastructures that facilitate continued advance in ocean science biology, marine biogeochemistry, and biological oceanography. Copyright (C) retained by original authors
C1 [Gilbert, Jack A.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA.
[Dick, Gregory J.] Univ Michigan, Dept Earth & Environm Sci, Ann Arbor, MI 48109 USA.
[Dick, Gregory J.] Univ Michigan, Dept Ecol & Evolutionary Biol, Ann Arbor, MI 48109 USA.
[Jenkins, Bethany] Univ Rhode Isl, Dept Cell & Mol Biol, Kingston, RI 02881 USA.
[Jenkins, Bethany] Univ Rhode Isl, Dept Oceanog, Kingston, RI 02881 USA.
[Heidelberg, John] Univ So Calif, Coll Letters Arts & Sci, Los Angeles, CA USA.
[Allen, Eric] Univ Calif San Diego, Scripps Inst Oceanog, San Diego, CA 92103 USA.
[Allen, Eric] Univ Calif San Diego, Div Biol Sci, San Diego, CA 92103 USA.
[Mackey, Katherine R. M.] Woods Hole Oceanog Inst, Woods Hole, MA 02543 USA.
[DeLong, Edward F.] Univ Hawaii Manoa, C MORE, Honolulu, HI 96822 USA.
RP DeLong, EF (reprint author), Univ Hawaii Manoa, C MORE, Honolulu, HI 96822 USA.
EM edelong@hawaii.edu
OI Heidelberg, John/0000-0003-0673-3224
FU Geosciences Division of the U.S. National Science Foundation
FX We gratefully acknowledge support for the Ocean 'Omics EarthCube
end-user workshop by the Geosciences Division of the U.S. National
Science Foundation. We also thank Katrina Edwards and Matt Janicak,
staff at University of Southern California, and the staff at the Wrigley
Science Center on Catalina Island, for their excellent logistical
support of the meeting.
NR 8
TC 1
Z9 1
U1 0
U2 9
PU GENOMIC STAND CONSORT
PI EAST LANSING
PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS
SCI BLDG, EAST LANSING, MI 48824 USA
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
DI 10.4056/sigs.5749944
PG 11
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000028
PM 25197495
ER
PT J
AU Goker, M
Lu, MG
Fiebig, A
Nolan, M
Lapidus, A
Tice, H
Del Rio, TG
Cheng, JF
Han, C
Tapia, R
Goodwin, LA
Pitluck, S
Liolios, K
Mavromatis, K
Pagani, I
Ivanova, N
Mikhailova, N
Pati, A
Chen, A
Palaniappan, K
Land, M
Mayilraj, S
Rohde, M
Detter, JC
Bunk, B
Spring, S
Wirth, R
Woyke, T
Bristow, J
Eisen, JA
Markowitz, V
Hugenholtz, P
Kyrpides, NC
Klenk, HP
AF Goeker, Markus
Lu, Megan
Fiebig, Anne
Nolan, Matt
Lapidus, Alla
Tice, Hope
Del Rio, Tijana Glavina
Cheng, Jan-Fang
Han, Cliff
Tapia, Roxanne
Goodwin, Lynne A.
Pitluck, Sam
Liolios, Konstantinos
Mavromatis, Konstantinos
Pagani, Ioanna
Ivanova, Natalia
Mikhailova, Natalia
Pati, Amrita
Chen, Amy
Palaniappan, Krishna
Land, Miriam
Mayilraj, Shanmugam
Rohde, Manfred
Detter, John C.
Bunk, Boyke
Spring, Stefan
Wirth, Reinhard
Woyke, Tanja
Bristow, James
Eisen, Jonathan A.
Markowitz, Victor
Hugenholtz, Philip
Kyrpides, Nikos C.
Klenk, Hans-Peter
TI Genome sequence of the mud-dwelling archaeon Methanoplanus limicola type
strain (DSM 2279(T)), reclassification of Methanoplanus petrolearius as
Methanolacinia petrolearia and emended descriptions of the genera
Methanoplanus and Methanolacinia
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE anaerobic; motile; mesophilic; methanogen; swamp; improved-high-quality
draft; Methanomicrobiaceae; GEBA
ID STANDARD OPERATING PROCEDURE; DNA-DNA HYBRIDIZATION; SP-NOV;
METHANOMICROBIUM-PAYNTERI; MICROBIAL GENOMES; BACTERIA; ENCYCLOPEDIA;
METHANOGENS; DATABASE; SYSTEM
AB Methanoplanus limicola Wildgruber et al. 1984 is a mesophilic methanogen that was isolated from a swamp composed of drilling waste near Naples, Italy, shortly after the Archaea were recognized as a separate domain of life. Methanoplanus is the type genus in the family Methanoplanaceae, a taxon that felt into disuse since modern 16S rRNA gene sequences-based taxonomy was established. Methanoplanus is now placed within the Methanomicrobiaceae, a family that is so far poorly characterized at the genome level. The only other type strain of the genus with a sequenced genome, Methanoplanus petrolearius SEBR 4847(T), turned out to be misclassified and required reclassification to Methanolacinia. Both, Methanoplanus and Methanolacinia, needed taxonomic emendations due to a significant deviation of the G+C content of their genomes from previously published (pre-genome-sequence era) values. Until now genome sequences were published for only four of the 33 species with validly published names in the Methanomicrobiaceae. Here we describe the features of M. limicola, together with the improved-high-quality draft genome sequence and annotation of the type strain, M3(T). The 3,200,946 bp long chromosome (permanent draft sequence) with its 3,064 protein-coding and 65 RNA genes is a part of the GenomicEncyclopedia ofBacteria andArchaea project.
C1 [Goeker, Markus; Fiebig, Anne; Bunk, Boyke; Spring, Stefan; Klenk, Hans-Peter] Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
[Lu, Megan; Nolan, Matt; Tice, Hope; Del Rio, Tijana Glavina; Cheng, Jan-Fang; Han, Cliff; Tapia, Roxanne; Goodwin, Lynne A.; Pitluck, Sam; Liolios, Konstantinos; Mavromatis, Konstantinos; Pagani, Ioanna; Ivanova, Natalia; Mikhailova, Natalia; Pati, Amrita; Land, Miriam; Detter, John C.; Woyke, Tanja; Bristow, James; Eisen, Jonathan A.; Hugenholtz, Philip; Kyrpides, Nikos C.] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Lu, Megan; Han, Cliff; Tapia, Roxanne; Goodwin, Lynne A.; Detter, John C.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Lapidus, Alla] St Petersburg State Univ, T Dobzhansky Ctr Genome Bionformat, St Petersburg 199034, Russia.
[Lapidus, Alla] St Petersburg Acad Univ, Algorithm Biol Lab, St Petersburg, Russia.
[Chen, Amy; Palaniappan, Krishna; Markowitz, Victor] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA.
[Land, Miriam] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Mayilraj, Shanmugam] CSIR Inst Microbial Technol, MTCC Microbial Type Culture Collect & Gene Bank, Chandigarh, India.
[Rohde, Manfred] HZI Helmholtz Ctr Infect Res, Braunschweig, Germany.
[Wirth, Reinhard] Univ Regensburg, Microbiol Archaeenzentrum, D-93053 Regensburg, Germany.
[Eisen, Jonathan A.] Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA.
[Hugenholtz, Philip] Univ Queensland, Australian Ctr Ecogen, Sch Chem & Mol Biosci, Brisbane, Qld, Australia.
[Kyrpides, Nikos C.] King Abdulaziz Univ, Dept Biol Sci, Jeddah 21413, Saudi Arabia.
RP Klenk, HP (reprint author), Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
EM hpk@dsmz.de
RI Land, Miriam/A-6200-2011; Spring, Stefan/N-6933-2013; Fac Sci, KAU,
Biol Sci Dept/L-4228-2013; Lapidus, Alla/I-4348-2013
OI Land, Miriam/0000-0001-7102-0031; Spring, Stefan/0000-0001-6247-0938;
Lapidus, Alla/0000-0003-0427-8731
FU US Department of Energy Office of Science, Biological and Environmental
Research Program; University of California, Lawrence Berkeley National
Laboratory [DE-AC02-05CH11231]; Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; Los Alamos National Laboratory [DE-AC02-06NA25396];
UT-Battelle; Oak Ridge National Laboratory [DE-AC05-00OR22725]; German
Research Foundation (DFG) [INST 599/1-2]; Russian Ministry of Science
[11.G34.31.0068]; The Council of Scientific and Industrial Research
(CSIR, India); DAAD, Germany
FX We would like to gratefully acknowledge the help of Evelyne-Marie
Brambilla (DSMZ) for DNA extractions and quality control. This work was
performed under the auspices of the US Department of Energy Office of
Science, Biological and Environmental Research Program, and by the
University of California, Lawrence Berkeley National Laboratory under
contract No. DE-AC02-05CH11231, Lawrence Livermore National Laboratory
under Contract No. DE-AC52-07NA27344, and Los Alamos National Laboratory
under contract No. DE-AC02-06NA25396, UT-Battelle and Oak Ridge National
Laboratory under contract DE-AC05-00OR22725, as well as German Research
Foundation (DFG) INST 599/1-2. AL was in part supported by the Russian
Ministry of Science Mega-grant no. 11.G34.31.0068; SJ O'Brien Principal
Investigator. The Council of Scientific and Industrial Research (CSIR,
India) and DAAD, Germany, provided a Fellowship to Shanmugam Mayilraj.
NR 55
TC 0
Z9 0
U1 0
U2 5
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
PG 17
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000018
ER
PT J
AU Goker, M
Spring, S
Scheuner, C
Anderson, I
Zeytun, A
Nolan, M
Lucas, S
Tice, H
Del Rio, TG
Cheng, JF
Han, C
Tapia, R
Goodwin, LA
Pitluck, S
Liolios, K
Mavromatis, K
Pagani, I
Ivanova, N
Mikhailova, N
Pati, A
Chen, A
Palaniappan, K
Land, M
Hauser, L
Chang, YJ
Jeffries, CD
Rohde, M
Detter, JC
Woyke, T
Bristow, J
Eisen, JA
Markowitz, V
Hugenholtz, P
Kyrpides, NC
Klenk, HP
Lapidus, A
AF Goeker, Markus
Spring, Stefan
Scheuner, Carmen
Anderson, Iain
Zeytun, Ahmet
Nolan, Matt
Lucas, Susan
Tice, Hope
Del Rio, Tijana Glavina
Cheng, Jan-Fang
Han, Cliff
Tapia, Roxanne
Goodwin, Lynne A.
Pitluck, Sam
Liolios, Konstantinos
Mavromatis, Konstantinos
Pagani, Ioanna
Ivanova, Natalia
Mikhailova, Natalia
Pati, Amrita
Chen, Amy
Palaniappan, Krishna
Land, Miriam
Hauser, Loren
Chang, Yun-juan
Jeffries, Cynthia D.
Rohde, Manfred
Detter, John C.
Woyke, Tanja
Bristow, James
Eisen, Jonathan A.
Markowitz, Victor
Hugenholtz, Philip
Kyrpides, Nikos C.
Klenk, Hans-Peter
Lapidus, Alla
TI Genome sequence of the Thermotoga thermarum type strain (LA3(T)) from an
African solfataric spring
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE anaerobic; motile; thermophilic; chemoorganotrophic; solfataric spring;
outer sheath-like structure; Thermotogaceae; GEBA
ID SP-NOV; BACTERIA; ARCHAEA; OXIDOREDUCTASE; ALGORITHM; SELECTION;
DATABASE; PROJECTS; MARITIMA; GRAPHS
AB Thermotoga thermarum Windberger et al. 1989 is a member to the genomically well characterized genus Thermotoga in the phylum 'Thermotogae'. T. thermarum is of interest for its origin from a continental solfataric spring vs. predominantly marine oil reservoirs of other members of the genus. The genome of strain LA3T also provides fresh data for the phylogenomic positioning of the (hyper-) thermophilic bacteria. T. thermarum strain LA3(T) is the fourth sequenced genome of a type strain from the genus Thermotoga, and the sixth in the family Thermotogaceae to be formally described in a publication. Phylogenetic analyses do not reveal significant discrepancies between the current classification of the group, 16S rRNA gene data and whole-genome sequences. Nevertheless, T. thermarum significantly differs from other Thermotoga species regarding its iron-sulfur cluster synthesis, as it contains only a minimal set of the necessary proteins. Here we describe the features of this organism, together with the complete genome sequence and annotation. The 2,039,943 bp long chromosome with its 2,015 protein-coding and 51 RNA genes is a part of the Genomic Encyclopedia of Bacteria and Archaea project.
C1 [Goeker, Markus; Spring, Stefan; Scheuner, Carmen; Klenk, Hans-Peter] Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
[Anderson, Iain; Zeytun, Ahmet; Nolan, Matt; Lucas, Susan; Tice, Hope; Del Rio, Tijana Glavina; Cheng, Jan-Fang; Han, Cliff; Tapia, Roxanne; Goodwin, Lynne A.; Pitluck, Sam; Liolios, Konstantinos; Mavromatis, Konstantinos; Pagani, Ioanna; Ivanova, Natalia; Mikhailova, Natalia; Pati, Amrita; Land, Miriam; Hauser, Loren; Chang, Yun-juan; Jeffries, Cynthia D.; Detter, John C.; Woyke, Tanja; Bristow, James; Eisen, Jonathan A.; Hugenholtz, Philip; Kyrpides, Nikos C.] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Zeytun, Ahmet; Han, Cliff; Tapia, Roxanne; Goodwin, Lynne A.; Detter, John C.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Chen, Amy; Palaniappan, Krishna; Markowitz, Victor] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA.
[Land, Miriam; Hauser, Loren; Chang, Yun-juan; Jeffries, Cynthia D.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Rohde, Manfred] HZI Helmholtz Ctr Infect Res, Braunschweig, Germany.
[Eisen, Jonathan A.] Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA.
[Hugenholtz, Philip] Univ Queensland, Australian Ctr Ecogen, Sch Chem & Mol Biosci, Brisbane, Qld, Australia.
[Kyrpides, Nikos C.] King Abdulaziz Univ, Dept Biol Sci, Jeddah 21413, Saudi Arabia.
[Lapidus, Alla] St Petersburg State Univ, Theodosius Dobzhansky Ctr Genome Bionformat, St Petersburg 199034, Russia.
[Lapidus, Alla] St Petersburg Acad Univ, Algorithm Biol Lab, St Petersburg, Russia.
RP Klenk, HP (reprint author), Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
RI Fac Sci, KAU, Biol Sci Dept/L-4228-2013; Kyrpides, Nikos/A-6305-2014;
Lapidus, Alla/I-4348-2013; Spring, Stefan/N-6933-2013; Land,
Miriam/A-6200-2011;
OI Kyrpides, Nikos/0000-0002-6131-0462; Lapidus, Alla/0000-0003-0427-8731;
Spring, Stefan/0000-0001-6247-0938; Land, Miriam/0000-0001-7102-0031;
Eisen, Jonathan A./0000-0002-0159-2197
FU US Department of Energy Office of Science, Biological and Environmental
Research Program; University of California, Lawrence Berkeley National
Laboratory [DE-AC02-05CH11231]; Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; Los Alamos National Laboratory [DE-AC02-06NA25396];
UT-Battelle; Oak Ridge National Laboratory [DE-AC05-00OR22725]; German
Research Foundation(DFG) [INST 599/1-2]
FX We would like to gratefully acknowledge the help of Maren Schroder for
growing T. thermarum cultures and Evelyne-Marie Brambilla for DNA
extraction and quality control (both of the DSMZ) as well as the
valuable hints provided by T. Nunoura and J.P. Euzeby. This work was
performed under the auspices of the US Department of Energy Office of
Science, Biological and Environmental Research Program, and by the
University of California, Lawrence Berkeley National Laboratory under
contract No. DE-AC02-05CH11231, Lawrence Livermore National Laboratory
under Contract No. DE-AC52-07NA27344, and Los Alamos National Laboratory
under contract No. DE-AC02-06NA25396, UT-Battelle and Oak Ridge National
Laboratory under contract DE-AC05-00OR22725, as well as German Research
Foundation(DFG) INST 599/1-2.
NR 51
TC 0
Z9 0
U1 2
U2 8
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
DI 10.4056/sigs.3016383
PG 18
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000012
ER
PT J
AU Kuever, J
Visser, M
Loeffler, C
Boll, M
Worm, P
Sousa, DZ
Plugge, CM
Schaap, PJ
Muyzer, G
Pereira, IAC
Parshina, SN
Goodwin, LA
Kyrpides, NC
Detter, J
Woyke, T
Chain, P
Davenport, KW
Rohde, M
Spring, S
Klenk, HP
Stams, AJM
AF Kuever, Jan
Visser, Michael
Loeffler, Claudia
Boll, Matthias
Worm, Petra
Sousa, Diana Z.
Plugge, Caroline M.
Schaap, Peter J.
Muyzer, Gerard
Pereira, Ines A. C.
Parshina, Sofiya N.
Goodwin, Lynne A.
Kyrpides, Nikos C.
Detter, Janine
Woyke, Tanja
Chain, Patrick
Davenport, Karen W.
Rohde, Manfred
Spring, Stefan
Klenk, Hans-Peter
Stams, Alfons J. M.
TI Genome analysis of Desulfotomaculum gibsoniae strain Groll(T) a highly
versatile Gram-positive sulfate-reducing bacterium
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE spore-forming anaerobes; sulfate reduction; autotrophic; anaerobic
degradation of aromatic compounds; complete oxidizer; Peptococcaceae;
Clostridiales
ID GEOBACTER-METALLIREDUCENS; ANAEROBIC DEGRADATION; AROMATIC-COMPOUNDS;
BENZOYL-COENZYME; PELOTOMACULUM-THERMOPROPIONICUM;
DESULFOBACTERIUM-CETONICUM; COMPLETE OXIDATION; SP. NOV; IDENTIFICATION;
PROKARYOTES
AB Desulfotomaculum gibsoniae is a mesophilic member of the polyphyletic spore-forming genus Desulfotomaculum within the family Peptococcaceae. This bacterium was isolated from a freshwater ditch and is of interest because it can grow with a large variety of organic substrates, in particular several aromatic compounds, short-chain and medium-chain fatty acids, which are degraded completely to carbon dioxide coupled to the reduction of sulfate. It can grow autotrophically with H-2 + CO2 and sulfate and slowly acetogenically with H-2 + CO2, formate or methoxylated aromatic compounds in the absence of sulfate. It does not require any vitamins for growth. Here, we describe the features of D. gibsoniae strain Groll(T) together with the genome sequence and annotation. The chromosome has 4,855,529 bp organized in one circular contig and is the largest genome of all sequenced Desulfotomaculum spp. to date. A total of 4,666 candidate protein-encoding genes and 96 RNA genes were identified. Genes of the acetyl-CoA pathway, possibly involved in heterotrophic growth and in CO2 fixation during autotrophic growth, are present. The genome contains a large set of genes for the anaerobic transformation and degradation of aromatic compounds, which are lacking in the other sequenced Desulfotomaculum genomes.
C1 [Kuever, Jan] Bremen Inst Mat Testing, Dept Microbiol, Bremen, Germany.
[Visser, Michael; Worm, Petra; Sousa, Diana Z.; Plugge, Caroline M.; Stams, Alfons J. M.] Wageningen Univ, Microbiol Lab, NL-6700 AP Wageningen, Netherlands.
[Loeffler, Claudia; Boll, Matthias] Univ Freiburg, Inst Biol 2, D-79106 Freiburg, Germany.
[Schaap, Peter J.] Wageningen Univ, Lab Syst & Synthet Biol, NL-6700 AP Wageningen, Netherlands.
[Muyzer, Gerard] Univ Amsterdam, Inst Biodivers & Ecosyst Dynam, Dept Aquat Microbiol, Amsterdam, Netherlands.
[Pereira, Ines A. C.] Univ Nova Lisboa, Inst Tecnol Quim & Biol, Oeiras, Portugal.
[Parshina, Sofiya N.] Russian Acad Sci, Winogradsky Inst Microbiol, Moscow, Russia.
[Goodwin, Lynne A.; Kyrpides, Nikos C.; Woyke, Tanja; Chain, Patrick; Davenport, Karen W.] DOE Joint Genome Inst, Walnut Creek, CA USA.
[Goodwin, Lynne A.; Detter, Janine; Chain, Patrick; Davenport, Karen W.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Rohde, Manfred] HZI Helmholtz Ctr Infect Res, Braunschweig, Germany.
[Spring, Stefan; Klenk, Hans-Peter] Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
[Stams, Alfons J. M.] Univ Minho, Ctr Biol Engn, Braga, Portugal.
RP Kuever, J (reprint author), Bremen Inst Mat Testing, Dept Microbiol, Bremen, Germany.
RI Pereira, Ines/C-2748-2009; Spring, Stefan/N-6933-2013
OI Pereira, Ines/0000-0003-3283-4520; Spring, Stefan/0000-0001-6247-0938
FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231];
Netherlands Science Foundation (NWO) [CW-TOP 700.55.343, ALW
819.02.014]; ERC [323009]; BE-Basic [F07.002.03]
FX The work conducted by the U.S. Department of Energy Joint Genome
Institute was supported by the Office of Science of the U.S. Department
of Energy under Contract No. DE-AC02-05CH11231, and was also supported
by grants CW-TOP 700.55.343, ALW 819.02.014 of the Netherlands Science
Foundation (NWO), ERC (project 323009), and BE-Basic (project
F07.002.03).
NR 53
TC 0
Z9 0
U1 3
U2 13
PU GENOMIC STAND CONSORT
PI EAST LANSING
PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS
SCI BLDG, EAST LANSING, MI 48824 USA
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
PG 19
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000011
ER
PT J
AU Moulin, L
Klonowska, A
Caroline, B
Booth, K
Vriezen, JAC
Melkonian, R
James, EK
Young, JPW
Bena, G
Hauser, L
Land, M
Kyrpides, N
Bruce, D
Chain, P
Copeland, A
Pitluck, S
Woyke, T
Lizotte-Waniewski, M
Bristow, J
Riley, M
AF Moulin, Lionel
Klonowska, Agnieszka
Caroline, Bournaud
Booth, Kristina
Vriezen, Jan A. C.
Melkonian, Remy
James, Euan K.
Young, J. Peter W.
Bena, Gilles
Hauser, Loren
Land, Miriam
Kyrpides, Nikos
Bruce, David
Chain, Patrick
Copeland, Alex
Pitluck, Sam
Woyke, Tanja
Lizotte-Waniewski, Michelle
Bristow, Jim
Riley, Margaret
TI Complete Genome sequence of Burkholderia phymatum STM815(T), a broad
host range and efficient nitrogen-fixing symbiont of Mimosa species
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE Burkholderia; symbiosis; Mimosa; rhizobia; nitrogen fixation
ID SP NOV.; LEGUMES; GENUS; SPP.; NODULATION; DIVERSITY; PROPOSAL; SYSTEM;
TOOL
AB Burkholderia phymatum is a soil bacterium able to develop a nitrogen-fixing symbiosis with species of the legume genus Mimosa, and is frequently found associated specifically with Mimosa pudica. The type strain of the species, STM 815(T), was isolated from a root nodule in French Guiana in 2000. The strain is an aerobic, motile, non-spore forming, Gram-negative rod, and is a highly competitive strain for nodulation compared to other Mimosa symbionts, as it also nodulates a broad range of other legume genera and species. The 8,676,562 bp genome is composed of two chromosomes (3,479,187 and 2,697,374 bp), a megaplasmid (1,904,893 bp) and a plasmid hosting the symbiotic functions (595,108 bp).
C1 [Moulin, Lionel; Klonowska, Agnieszka; Caroline, Bournaud; Melkonian, Remy; Bena, Gilles] IRD, UMR LSTM, F-34398 Montpellier 5, France.
[Booth, Kristina; Vriezen, Jan A. C.; Lizotte-Waniewski, Michelle; Riley, Margaret] Univ Massachusetts, Amherst, MA 01003 USA.
[James, Euan K.] James Hutton Inst, Dundee, Scotland.
[Young, J. Peter W.] Univ York, York YO10 5DD, N Yorkshire, England.
[Hauser, Loren; Land, Miriam] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Kyrpides, Nikos; Copeland, Alex; Pitluck, Sam; Woyke, Tanja; Bristow, Jim] Joint Genome Inst, Walnut Creek, CA USA.
[Bruce, David; Chain, Patrick] Los Alamos Natl Lab, Los Alamos, NM USA.
RP Moulin, L (reprint author), IRD, UMR LSTM, Campus Baillarguet, F-34398 Montpellier 5, France.
EM lionel.moulin@ird.fr
RI Young, Peter/C-1446-2012; James, Euan/K-1135-2012; Moulin,
Lionel/C-2921-2008; Land, Miriam/A-6200-2011; Kyrpides,
Nikos/A-6305-2014;
OI Young, Peter/0000-0001-5259-4830; James, Euan/0000-0001-7969-6570;
Moulin, Lionel/0000-0001-9068-6912; Land, Miriam/0000-0001-7102-0031;
Kyrpides, Nikos/0000-0002-6131-0462; Chain, Patrick/0000-0003-3949-3634
FU US Department of Energy's Office of Science, Biological and
Environmental Research Program; University of California, Lawrence
Livermore National Laboratory [DE-AC02-05CH11231]; Lawrence Livermore
National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory
[DE-AC02-06NA25396]; French National Agency of Research (ANR)
[ANR-09-JCJC-0046]
FX This work was performed under the auspices of the US Department of
Energy's Office of Science, Biological and Environmental Research
Program and the University of California, Lawrence Livermore National
Laboratory under Contract No. DE-AC02-05CH11231, Lawrence Livermore
National Laboratory under Contract No. DE-AC52-07NA27344, and Los Alamos
National Laboratory under contract No. DE-AC02-06NA25396, and French
National Agency of Research (ANR) (Project "BETASYM" ANR-09-JCJC-0046).
NR 34
TC 6
Z9 6
U1 3
U2 14
PU GENOMIC STAND CONSORT
PI EAST LANSING
PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS
SCI BLDG, EAST LANSING, MI 48824 USA
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
DI 10.4056/sigs.4861021
PG 14
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000006
PM 25197461
ER
PT J
AU Ntougias, S
Lapidus, A
Han, J
Mavromatis, K
Pati, A
Chen, A
Klenk, HP
Woyke, T
Fasseas, C
Kyrpides, NC
Zervakis, GI
AF Ntougias, Spyridon
Lapidus, Alla
Han, James
Mavromatis, Konstantinos
Pati, Amrita
Chen, Amy
Klenk, Hans-Peter
Woyke, Tanja
Fasseas, Constantinos
Kyrpides, Nikos C.
Zervakis, Georgios I.
TI High quality draft genome sequence of Olivibacter sitiensis type strain
(AW-6(T)), a diphenol degrader with genes involved in the catechol
pathway
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE alkaline two-phase olive mill waste; Bacteroidetes; Sphingobacteriaceae;
hemicellulose degradation; beta-1,4-xylanase; beta-1,4-xylosidase
ID SP-NOV.; MICROBIAL GENOMES; BACTERIA; PEDOBACTER; ARCHAEA;
CLASSIFICATION; ENCYCLOPEDIA; ALGORITHM; ALIGNMENT; DATABASE
AB Olivibacter sitiensis Ntougias et al. 2007 is a member of the family Sphingobacteriaceae, phylum Bacteroidetes. Members of the genus Olivibacter are phylogenetically diverse and of significant interest. They occur in diverse habitats, such as rhizosphere and contaminated soils, viscous wastes, composts, biofilter clean-up facilities on contaminated sites and cave environments, and they are involved in the degradation of complex and toxic compounds. Here we describe the features of O. sitiensis AW-6(T), together with the permanent-draft genome sequence and annotation. The organism was sequenced under the Genomic Encyclopedia for Bacteria and Archaea (GEBA) project at the DOE Joint Genome Institute and is the first genome sequence of a species within the genus Olivibacter. The genome is 5,053,571 bp long and is comprised of 110 scaffolds with an average GC content of 44.61%. Of the 4,565 genes predicted, 4,501 were protein-coding genes and 64 were RNA genes. Most protein-coding genes (68.52%) were assigned to a putative function. The identification of 2-keto-4-pentenoate hydratase/2-oxohepta-3-ene-1,7-dioic acid hydratase-coding genes indicates involvement of this organism in the catechol catabolic pathway. In addition, genes encoding for beta-1,4-xylanases and beta-1,4xylosidases reveal the xylanolytic action of O. sitiensis.
C1 [Ntougias, Spyridon] Democritus Univ Thrace, Dept Environm Engn, Lab Wastewater Management & Treatment Technol, GR-67100 Xanthi, Greece.
[Lapidus, Alla; Han, James; Mavromatis, Konstantinos; Pati, Amrita; Woyke, Tanja; Kyrpides, Nikos C.] US DOE, Joint Genome Inst, Genome Biol Program, Walnut Creek, CA USA.
[Chen, Amy] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA.
[Klenk, Hans-Peter] Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
[Fasseas, Constantinos] Agr Univ Athens, Electron Microscopy Lab, GR-11855 Athens, Greece.
[Kyrpides, Nikos C.] King Abdulaziz Univ, Jeddah 21413, Saudi Arabia.
[Zervakis, Georgios I.] Agr Univ Athens, Lab Gen & Agr Microbiol, GR-11855 Athens, Greece.
RP Zervakis, GI (reprint author), Agr Univ Athens, Lab Gen & Agr Microbiol, GR-11855 Athens, Greece.
EM zervakis@aua.gr
RI Lapidus, Alla/I-4348-2013
OI Lapidus, Alla/0000-0003-0427-8731
FU US Department of Energy Office of Science, Biological and Environmental
Research Program; University of California, Lawrence Berkeley National
Laboratory [DE-AC02-05CH11231]; Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; German Research Foundation (DFG) [INST 599/1-2]
FX We would like to gratefully acknowledge the help of Brian J. Tindall and
his team for growing O. sitiensis cultures, and Evelyne-Marie Brambilla
for DNA extraction and quality control (all at DSMZ). This work was
performed under the auspices of the US Department of Energy Office of
Science, Biological and Environmental Research Program, and by the
University of California, Lawrence Berkeley National Laboratory under
contract No. DE-AC02-05CH11231, Lawrence Livermore National Laboratory
under Contract No. DE-AC52-07NA27344, as well as German Research
Foundation (DFG) INST 599/1-2.
NR 32
TC 0
Z9 0
U1 0
U2 1
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
PG 12
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000025
ER
PT J
AU Reeve, W
Parker, M
Tian, R
Goodwin, L
Teshima, H
Tapia, R
Han, C
Han, J
Liolios, K
Huntemann, M
Pati, A
Woyke, T
Mavromatis, K
Markowitz, V
Ivanova, N
Kyrpides, N
AF Reeve, Wayne
Parker, Matthew
Tian, Rui
Goodwin, Lynne
Teshima, Hazuki
Tapia, Roxanne
Han, Cliff
Han, James
Liolios, Konstantinos
Huntemann, Marcel
Pati, Amrita
Woyke, Tanja
Mavromatis, Konstantinos
Markowitz, Victor
Ivanova, Natalia
Kyrpides, Nikos
TI Genome sequence of Microvirga lupini strain LUT6(T), a novel Lupinus
alphaproteobacterial microsymbiont from Texas
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE root-nodule bacteria; nitrogen fixation; rhizobia; Alphaproteobacteria
ID ROOT-NODULE; SP-NOV.; BACTERIA; NITROGEN; DIVERSIFICATION; TEXENSIS;
PROPOSAL; SYSTEM; GENES; TOOL
AB Microvirga lupini LUT6(T) is an aerobic, non-motile, Gram-negative, non-spore-forming rod that can exist as a soil saprophyte or as a legume microsymbiont of Lupinus texensis. LUT6(T) was isolated in 2006 from a nodule recovered from the roots of the annual L. texensis growing in Travis Co., Texas. LUT6(T) forms a highly specific nitrogen-fixing symbiosis with endemic L. texensis and no other Lupinus species can form an effective nitrogen-fixing symbiosis with this isolate. Here we describe the features of M. lupini LUT6(T), together with genome sequence information and its annotation. The 9,633,614 bp improved high quality draft genome is arranged into 160 scaffolds of 1,366 contigs containing 10,864 protein-coding genes and 87 RNA-only encoding genes, and is one of 20 rhizobial genomes sequenced as part of a DOE Joint Genome Institute 2010 Community Sequencing Project.
C1 [Reeve, Wayne; Tian, Rui] Murdoch Univ, Ctr Rhizobium Studies, Murdoch, WA 6150, Australia.
[Parker, Matthew] SUNY Binghamton, Dept Biol Sci, New York, NY USA.
[Goodwin, Lynne; Teshima, Hazuki; Tapia, Roxanne; Han, Cliff] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Han, James; Liolios, Konstantinos; Huntemann, Marcel; Pati, Amrita; Woyke, Tanja; Mavromatis, Konstantinos; Ivanova, Natalia; Kyrpides, Nikos] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Markowitz, Victor] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA.
RP Reeve, W (reprint author), Murdoch Univ, Ctr Rhizobium Studies, Murdoch, WA 6150, Australia.
EM W.Reeve@murdoch.edu.au
FU US Department of Energy's Office of Science, Biological and
Environmental Research Program; University of California, Lawrence
Berkeley National Laboratory [DE-AC02-05CH11231]; Lawrence Livermore
National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory
[DE-AC02-06NA25396]; Murdoch University
FX This work was performed under the auspices of the US Department of
Energy's Office of Science, Biological and Environmental Research
Program, and by the University of California, Lawrence Berkeley National
Laboratory under contract No. DE-AC02-05CH11231, Lawrence Livermore
National Laboratory under Contract No. DE-AC52-07NA27344, and Los Alamos
National Laboratory under contract No. DE-AC02-06NA25396. We gratefully
acknowledge research funding received from Murdoch University.
NR 46
TC 0
Z9 0
U1 1
U2 5
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
PG 14
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000016
ER
PT J
AU Riedel, T
Spring, S
Fiebig, A
Petersen, J
Kyrpides, NC
Goker, M
Klenk, HP
AF Riedel, Thomas
Spring, Stefan
Fiebig, Anne
Petersen, Joern
Kyrpides, Nikos C.
Goeker, Markus
Klenk, Hans-Peter
TI Genome sequence of the exopolysaccharide-producing Salipiger mucosus
type strain (DSM 16094(T)), a moderately halophilic member of the
Roseobacter clade
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE aerobic; chemoheterotrophic; rod-shaped; photosynthesis;
extrachromosomal elements; OmniLog phenotyping; Roseobacter clade;
Rhodobacteraceae; Alphaproteobacteria
ID SP-NOV; GEN. NOV.; ALPHA-PROTEOBACTERIA; BACTERIA; BIOLOGY; HYPERSALINE;
PROJECTS; DATABASE; ARCHAEA; LINEAGE
AB Salipiger mucosus Martinez-Canovas et al. 2004 is the type species of the genus Salipiger, a moderately halophilic and exopolysaccharide-producing representative of the Roseobacter lineage within the alphaproteobacterial family Rhodobacteraceae. Members of this family were shown to be the most abundant bacteria especially in coastal and polar waters, but were also found in microbial mats and sediments. Here we describe the features of the S. mucosus strain DSM 16094(T) together with its genome sequence and annotation. The 5,689,389-bp genome sequence consists of one chromosome and several extrachromosomal elements. It contains 5,650 protein-coding genes and 95 RNA genes. The genome of S. mucosus DSM 16094 T was sequenced as part of the activities of the Transregional Collaborative Research Center 51 (TRR51) funded by the German Research Foundation (DFG).
C1 [Riedel, Thomas] Univ Paris 06, Sorbonne Univ, USR 3579, LBBM,Observ Oceanol, Banyuls Sur Mer, France.
[Riedel, Thomas] CNRS, USR 3579, LBBM, Observ Oceanol, Banyuls Sur Mer, France.
[Spring, Stefan; Fiebig, Anne; Petersen, Joern; Goeker, Markus; Klenk, Hans-Peter] Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
[Kyrpides, Nikos C.] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
RP Goker, M (reprint author), Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
EM mgo08@dsmz.de
RI Kyrpides, Nikos/A-6305-2014; Spring, Stefan/N-6933-2013
OI Kyrpides, Nikos/0000-0002-6131-0462; Spring, Stefan/0000-0001-6247-0938
FU German Research Foundation (DFG) [Transregio-SFB51]
FX The authors would like to gratefully acknowledge the assistance of
Iljana Schroder for technical assistance and Meike Doppner for DNA
extraction and quality control (both at the Leibniz-Institute DSMZ).
This work was performed under the auspices of the German Research
Foundation (DFG) Transregio-SFB51 Roseobacter grant.
NR 43
TC 2
Z9 2
U1 0
U2 5
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
DI 10.4056/sigs.4909790
PG 16
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000021
ER
PT J
AU Riedel, T
Fiebig, A
Han, J
Huntemann, M
Spring, S
Petersen, J
Ivanova, NN
Markowitz, V
Woyke, T
Goker, M
Kyrpides, NC
Klenk, HP
AF Riedel, Thomas
Fiebig, Anne
Han, James
Huntemann, Marcel
Spring, Stefan
Petersen, Joern
Ivanova, Natalia N.
Markowitz, Victor
Woyke, Tanja
Goeker, Markus
Kyrpides, Nikos C.
Klenk, Hans-Peter
TI Genome sequence of the Wenxinia marina type strain (DSM 24838(T)), a
representative of the Roseobacter group isolated from oilfield sediments
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE aerobic; heterotrophic; rod-shaped; quorum sensing; autoinducer;
prophage-like structures; Roseobacter group; Rhodobacteraceae;
Alphaproteobacteria
ID GEN. NOV.; BACTERIA; SYSTEM; TOOL; RECOGNITION; PROJECTS; DATABASE;
ARCHAEA; REVEAL; MEMBER
AB Wenxinia marina Ying et al. 2007 is the type species of the genus Wenxinia, a representative of the Roseobacter group within the alphaproteobacterial family Rhodobacteraceae, isolated from oilfield sediments of the South China Sea. This family was shown to harbor the most abundant bacteria especially from coastal and polar waters, but was also found in microbial mats, sediments and attached to different kind of surfaces.
Here we describe the features of W. marina strain HY34(T) together with the genome sequence and annotation of strain DSM 24838(T) and novel aspects of its phenotype. The 4,181,754 bp containing genome sequence encodes 4,047 protein-coding genes and 59 RNA genes. The genome of W. marina DSM 24838(T) was sequenced as part of the activities of the Genomic Encyclopedia of Type Strains, Phase I: the one thousand microbial genomes (KMG) project funded by the DoE and the Transregional Collaborative Research Centre 51 (TRR51) funded by the German Research Foundation (DFG).
C1 [Riedel, Thomas] Univ Paris 06, Sorbonne Univ, USR 3579, LBBM,Observ Oceanol, Banyuls Sur Mer, France.
[Riedel, Thomas] CNRS, USR 3579, LBBM, Observ Oceanol, Banyuls Sur Mer, France.
[Fiebig, Anne; Spring, Stefan; Petersen, Joern; Goeker, Markus; Klenk, Hans-Peter] Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
[Han, James; Huntemann, Marcel; Ivanova, Natalia N.; Woyke, Tanja; Kyrpides, Nikos C.] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Markowitz, Victor] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA.
RP Goker, M (reprint author), Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
RI Spring, Stefan/N-6933-2013
OI Spring, Stefan/0000-0001-6247-0938
FU German Research Foundation (DFG) [Transregio-SFB51]; US Department of
Energy's Office of Science, Biological and Environmental Research
Program; University of California, Lawrence Berkeley National Laboratory
[DE-AC02-05CH11231]; Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]
FX The authors would like to gratefully acknowledge the assistance of
Iljana Schroder for growing W. marina cultures and Meike Doppner for DNA
extraction and quality control (both at the Leibniz-Institute DSMZ).
This work was performed under the auspices of the German Research
Foundation (DFG) Transregio-SFB51 Roseobacter grant and the US
Department of Energy's Office of Science, Biological and Environmental
Research Program and by the University of California, Lawrence Berkeley
National Laboratory under contract No. DE-AC02-05CH11231, Lawrence
Livermore National Laboratory under Contract No. DE-AC52-07NA27344.
NR 47
TC 0
Z9 0
U1 0
U2 6
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
PG 14
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000020
ER
PT J
AU Visser, M
Parshina, SN
Alves, JI
Sousa, DZ
Pereira, IAC
Muyzer, G
Kuever, J
Lebedinsky, AV
Koehorst, JJ
Worm, P
Plugge, CM
Schaap, PJ
Goodwin, LA
Lapidus, A
Kyrpides, NC
Detter, JC
Woyke, T
Chain, P
Davenport, KW
Spring, S
Rohde, M
Klenk, HP
Stams, AJM
AF Visser, Michael
Parshina, Sofiya N.
Alves, Joana I.
Sousa, Diana Z.
Pereira, Ines A. C.
Muyzer, Gerard
Kuever, Jan
Lebedinsky, Alexander V.
Koehorst, Jasper J.
Worm, Petra
Plugge, Caroline M.
Schaap, Peter J.
Goodwin, Lynne A.
Lapidus, Alla
Kyrpides, Nikos C.
Detter, Janine C.
Woyke, Tanja
Chain, Patrick
Davenport, Karen W.
Spring, Stefan
Rohde, Manfred
Klenk, Hans Peter
Stams, Alfons J. M.
TI Genome analyses of the carboxydotrophic sulfate-reducers
Desulfotomaculum nigrificans and Desulfotomaculum carboxydivorans and
reclassification of Desulfotomaculum caboxydivorans as a later synonym
of Desulfotomaculum nigrificans
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE Thermophilic spore-forming anaerobes; sulfate reduction;
carboxydotrophic; Peptococcaceae; Clostridiales
ID REDUCING BACTERIUM; SP NOV.; SEQUENCE; GROWTH; CLASSIFICATION;
HYDROGENASE; EVOLUTION; STANDARD; ARCHAEA; SYSTEM
AB Desulfotomaculum nigrificans and D. carboxydivorans are moderately thermophilic members of the polyphyletic spore-forming genus Desulfotomaculum in the family Peptococcaceae. They are phylogenetically very closely related and belong to 'subgroup a' of the Desulfotomaculum cluster 1. D. nigrificans and D. carboxydivorans have a similar growth substrate spectrum; they can grow with glucose and fructose as electron donors in the presence of sulfate. Additionally, both species are able to ferment fructose, although fermentation of glucose is only reported for D. carboxydivorans. D. nigrificans is able to grow with 20% carbon monoxide (CO) coupled to sulfate reduction, while D. carboxydivorans can grow at 100% CO with and without sulfate. Hydrogen is produced during growth with CO by D. carboxydivorans. Here we present a summary of the features of D. nigrificans and D. carboxydivorans together with the description of the complete genome sequencing and annotation of both strains. Moreover, we compared the genomes of both strains to reveal their differences. This comparison led us to propose a reclassification of D. carboxydivorans as a later heterotypic synonym of D. nigrificans.
C1 [Visser, Michael; Sousa, Diana Z.; Worm, Petra; Plugge, Caroline M.; Stams, Alfons J. M.] Wageningen Univ, Microbiol Lab, NL-6700 AP Wageningen, Netherlands.
[Parshina, Sofiya N.; Lebedinsky, Alexander V.] Russian Acad Sci, Wingradsky Inst Microbiol, Moscow, Russia.
[Alves, Joana I.; Sousa, Diana Z.; Stams, Alfons J. M.] Univ Minho, Ctr Biol Engn, Braga, Portugal.
[Pereira, Ines A. C.] Univ Nova Lisboa, Inst Tecnol Quim & Biol, P-2780156 Oeiras, Portugal.
[Muyzer, Gerard] Univ Amsterdam, Dept Aquat Microbiol, Inst Biodivers & Ecosyst Dynam, Amsterdam, Netherlands.
[Kuever, Jan] Bremen Inst Mat Testing, Dept Microbiol, Bremen, Germany.
[Koehorst, Jasper J.; Schaap, Peter J.] Wageningen Univ, Lab Syst & Synthet Biol, NL-6700 AP Wageningen, Netherlands.
[Goodwin, Lynne A.; Kyrpides, Nikos C.; Woyke, Tanja; Chain, Patrick; Davenport, Karen W.] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Goodwin, Lynne A.; Detter, Janine C.; Chain, Patrick; Davenport, Karen W.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Lapidus, Alla] St Petersburg State Univ, Theodosius Dobzhansky Ctr Genome Bionformat, St Petersburg 199034, Russia.
[Lapidus, Alla] St Petersburg Acad Univ, Algorithm Biol Lab, St Petersburg, Russia.
[Spring, Stefan; Klenk, Hans Peter] Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
[Rohde, Manfred] HZI Helmholtz Ctr Infect Res, Braunschweig, Germany.
RP Visser, M (reprint author), Wageningen Univ, Microbiol Lab, NL-6700 AP Wageningen, Netherlands.
EM michaelwendy8@gmail.com
RI Pereira, Ines/C-2748-2009; Sousa, Diana/K-5558-2012; Kyrpides,
Nikos/A-6305-2014; Spring, Stefan/N-6933-2013; Lapidus,
Alla/I-4348-2013;
OI Pereira, Ines/0000-0003-3283-4520; Sousa, Diana/0000-0003-3569-1545;
Kyrpides, Nikos/0000-0002-6131-0462; Spring, Stefan/0000-0001-6247-0938;
Chain, Patrick/0000-0003-3949-3634; Lapidus, Alla/0000-0003-0427-8731;
Alves, Joana/0000-0001-7554-2419; Koehorst, Jasper
Jan/0000-0001-8172-8981
FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231];
Netherlands Science Foundation (NWO) [CW-TOP 700.55.343, ALW
819.02.014]; European Research Council [323009]
FX We would like to gratefully acknowledge the help of Christine Munk and
Megan Lu for finishing the genome sequence (both at JGI). The work
conducted by the U.S. Department of Energy Joint Genome Institute is
supported by the Office of Science of the U.S. Department of Energy
under Contract No. DE-AC02-05CH11231, and was also supported by grants
CW-TOP 700.55.343 and ALW 819.02.014 of the Netherlands Science
Foundation (NWO) and grant 323009 of the European Research Council.
NR 51
TC 3
Z9 3
U1 0
U2 11
PU GENOMIC STAND CONSORT
PI EAST LANSING
PA MICHIGAN STATE UNIV, GEEO GARRITY, DEPT MICROBIOL, 6162 BIOMED & PHYS
SCI BLDG, EAST LANSING, MI 48824 USA
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
DI 10.4056/sigs.4718645
PG 21
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000070
PM 25197452
ER
PT J
AU Walker, R
Watkin, E
Tian, R
Brau, L
O'Hara, G
Goodwin, L
Han, J
Reddy, T
Huntemann, M
Pati, A
Woyke, T
Mavromatis, K
Markowitz, V
Ivanova, N
Kyrpides, N
Reeve, W
AF Walker, Robert
Watkin, Elizabeth
Tian, Rui
Braeu, Lambert
O'Hara, Graham
Goodwin, Lynne
Han, James
Reddy, Tatiparthi
Huntemann, Marcel
Pati, Amrita
Woyke, Tanja
Mavromatis, Konstantinos
Markowitz, Victor
Ivanova, Natalia
Kyrpides, Nikos
Reeve, Wayne
TI Genome sequence of the acid-tolerant Burkholderia sp. strain WSM2232
from Karijini National Park, Australia
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE root-nodule bacteria; nitrogen fixation; rhizobia; Betaproteobacteria
ID CEPACIA; PROPOSAL; NOV; DIVERSITY; BACTERIA; SYSTEM; GENUS
AB Burkholderia sp. strain WSM2232 is an aerobic, motile, Gram-negative, non-spore-forming acid-tolerant rod that was trapped in 2001 from acidic soil collected from Karijini National Park (Australia) using Gastrolobium capitatum as a host. WSM2232 was effective in nitrogen fixation with G. capitatum but subsequently lost symbiotic competence during long-term storage. Here we describe the features of Burkholderia sp. strain WSM2232, together with genome sequence information and its annotation. The 7,208,311 bp standard-draft genome is arranged into 72 scaffolds of 72 contigs containing 6,322 protein-coding genes and 61 RNA-only encoding genes. The loss of symbiotic capability can now be attributed to the loss of nodulation and nitrogen fixation genes from the genome. This rhizobial genome is one of 100 sequenced as part of the DOE Joint Genome Institute 2010 Genomic Encyclopedia for Bacteria and Archaea-Root Nodule Bacteria (GEBA-RNB) project.
C1 [Walker, Robert; Watkin, Elizabeth] Curtin Univ, Sch Biomed Sci, Fac Hlth Sci, Perth, WA, Australia.
[Tian, Rui; O'Hara, Graham; Reeve, Wayne] Murdoch Univ, Ctr Rhizobium Studies, Sch Vet & Life Sci, Murdoch, WA 6150, Australia.
[Braeu, Lambert] Deakin Univ, Sch Life & Environm Sci, Geelong, Vic 3217, Australia.
[Goodwin, Lynne] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Han, James; Reddy, Tatiparthi; Huntemann, Marcel; Pati, Amrita; Woyke, Tanja; Mavromatis, Konstantinos; Ivanova, Natalia; Kyrpides, Nikos] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Markowitz, Victor] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA.
RP Reeve, W (reprint author), Murdoch Univ, Ctr Rhizobium Studies, Sch Vet & Life Sci, Murdoch, WA 6150, Australia.
EM W.Reeve@murdoch.edu.au
RI Walker, Robert/A-2648-2017; Kyrpides, Nikos/A-6305-2014;
OI Walker, Robert/0000-0002-2064-4546; Kyrpides, Nikos/0000-0002-6131-0462;
Ivanova, Natalia/0000-0002-5802-9485
FU US Department of Energy Office of Science, Biological and Environmental
Research Program; University of California, Lawrence Berkeley National
Laboratory [DE-AC02-05CH11231]; Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; Los Alamos National Laboratory [DE-AC02-06NA25396]
FX This work was performed under the auspices of the US Department of
Energy Office of Science, Biological and Environmental Research Program,
and by the University of California, Lawrence Berkeley National
Laboratory under contract No. DE-AC02-05CH11231, Lawrence Livermore
National Laboratory under Contract No. DE-AC52-07NA27344, and Los Alamos
National Laboratory under contract No. DE-AC02-06NA25396.
NR 41
TC 1
Z9 1
U1 1
U2 3
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
DI 10.4056/sigs.5018795
PG 18
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000017
ER
PT J
AU Zhou, Y
Li, R
Gao, XY
Lapidus, A
Han, J
Haynes, M
Lobos, E
Huntemann, M
Pati, A
Ivanova, NN
Rohde, M
Mavromatis, K
Tindall, BJ
Markowitz, V
Woyke, T
Klenk, HP
Kyrpides, NC
Li, WJ
AF Zhou, Yu
Li, Rui
Gao, Xiao-Yang
Lapidus, Alla
Han, James
Haynes, Matthew
Lobos, Elizabeth
Huntemann, Marcel
Pati, Amrita
Ivanova, Natalia N.
Rohde, Manfred
Mavromatis, Konstantinos
Tindall, Brian J.
Markowitz, Victor
Woyke, Tanja
Klenk, Hans-Peter
Kyrpides, Nikos C.
Li, Wen-Jun
TI High quality draft genome sequence of the slightly halophilic bacterium
Halomonas zhanjiangensis type strain JSM 078169(T) (DSM 21076(T)) from a
sea urchin in southern China
SO STANDARDS IN GENOMIC SCIENCES
LA English
DT Article
DE strictly aerobic; motile Gram-negative; chemoorganotrophic; slightly
halophilic; Halomonadaceae
ID STANDARD OPERATING PROCEDURE; ET-AL. 1989; SP NOV.; FAMILY
HALOMONADACEAE; EMENDED DESCRIPTION; MICROBIAL GENOMES; FRANZMANN 1996;
SOLAR SALTERN; GEN. NOV.; PHYLOGENY
AB Halomonas zhanjiangensis Chen et al. 2009 is a member of the genus Halomonas, family Halomonadaceae, class Gammaproteobacteria. Representatives of the genus Halomonas are a group of halophilic bacteria often isolated from salty environments. The type strain H. zhanjiangensis JSM 078169(T) was isolated from a sea urchin (Hemicentrotus pulcherrimus) collected from the South China Sea. The genome of strain JSM 078169 T is the fourteenth sequenced genome in the genus Halomonas and the fifteenth in the family Halomonadaceae. The other thirteen genomes from the genus Halomonas are H. halocynthiae, H. venusta, H. alkaliphila, H. lutea, H. anticariensis, H. jeotgali, H. titanicae, H. desiderata, H. smyrnensis, H. salifodinae, H. boliviensis, H. elongata and H stevensii. Here, we describe the features of strain JSM 078169(T), together with the complete genome sequence and annotation from a culture of DSM 21076(T). The 4,060,520 bp long draft genome consists of 17 scaffolds with the 3,659 protein-coding and 80 RNA genes and is a part of Genomic Encyclopedia of Type Strains, Phase I: the one thousand microbial genomes (KMG) project.
C1 [Zhou, Yu; Li, Wen-Jun] Yunnan Univ, Key Lab Microbial Divers Southwest China, Minist Educ, Kunming, Peoples R China.
[Zhou, Yu; Li, Wen-Jun] Yunnan Univ, Lab Conservat & Utilizat Bioresources, Yunnan Inst Microbiol, Kunming, Peoples R China.
[Zhou, Yu; Li, Rui] State Key Lab Breeding Base Zhejiang Sustainable, Hangzhou, Zhejiang, Peoples R China.
[Zhou, Yu; Li, Rui] Zhejiang Acad Agr Sci, Inst Qual & Standard Agroprod, Hangzhou, Zhejiang, Peoples R China.
[Gao, Xiao-Yang; Li, Wen-Jun] Chinese Acad Sci, Key Lab Biogeog & Bioresource Arid Land, Xinjiang Inst Ecol & Geog, Urumqi, Peoples R China.
[Gao, Xiao-Yang] Univ Chinese Acad Sci, Beijing, Peoples R China.
[Lapidus, Alla] St Petersburg State Univ, Theodosius Dobzhansky Ctr Genome Bionformat, St Petersburg 199034, Russia.
[Lapidus, Alla] St Petersburg Acad Univ, Algorithm Biol Lab, St Petersburg, Russia.
[Han, James; Haynes, Matthew; Lobos, Elizabeth; Huntemann, Marcel; Pati, Amrita; Ivanova, Natalia N.; Mavromatis, Konstantinos; Woyke, Tanja; Kyrpides, Nikos C.] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Rohde, Manfred] HZI Helmholtz Ctr Infect Res, Braunschweig, Germany.
[Tindall, Brian J.; Klenk, Hans-Peter] Leibniz Inst DSMZ German Collect Microorganisms &, Braunschweig, Germany.
[Markowitz, Victor] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA.
[Kyrpides, Nikos C.] King Abdulaziz Univ, Dept Biol Sci, Jeddah 21413, Saudi Arabia.
RP Li, WJ (reprint author), Yunnan Univ, Key Lab Microbial Divers Southwest China, Minist Educ, Kunming, Peoples R China.
EM hpk@dsmz.de; wjli@ynu.edu.cn
RI Kyrpides, Nikos/A-6305-2014; Fac Sci, KAU, Biol Sci Dept/L-4228-2013;
Lapidus, Alla/I-4348-2013;
OI Kyrpides, Nikos/0000-0002-6131-0462; Lapidus, Alla/0000-0003-0427-8731;
Ivanova, Natalia/0000-0002-5802-9485
FU US Department of Energy Office of Science, Biological and Environmental
Research Program; University of California, Lawrence Berkeley National
Laboratory [DE-AC02-05CH11231]; Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; National Basic Research Program of China
[2010CB833801]; Chinese Academy of Sciences; Russian Ministry of Science
[11.G34.31.0068]
FX The authors gratefully acknowledge the assistance of Susanne Schneider
for growing H. zhanjiangensis cultures and Evelyne-Marie Brambilla for
DNA extraction and quality control (both at the DSMZ). This work was
performed under the auspices of the US Department of Energy Office of
Science, Biological and Environmental Research Program, and by the
University of California, Lawrence Berkeley National Laboratory under
contract No. DE-AC02-05CH11231, Lawrence Livermore National Laboratory
under Contract No. DE-AC52-07NA27344 Genome analysis was supported by
the National Basic Research Program of China (No. 2010CB833801). W-J Li
was also supported by 'Hundred Talents Program' of the Chinese Academy
of Sciences. A. L. was supported in part by Russian Ministry of Science
Mega-grant no. 11.G34.31.0068 (PI. Dr Stephen J O'Brien)
NR 60
TC 1
Z9 1
U1 1
U2 11
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1944-3277
J9 STAND GENOMIC SCI
JI Stand. Genomic Sci.
PY 2014
VL 9
IS 3
DI 10.4056/sigs.5449586
PG 14
WC Genetics & Heredity; Microbiology
SC Genetics & Heredity; Microbiology
GA AL2ZQ
UT WOS:000338995000024
PM 25197480
ER
PT S
AU Clement, JT
Zawodzinski, TA
Mench, MM
AF Clement, J. T.
Zawodzinski, T. A.
Mench, M. M.
BE Nguyen, TV
DiNoto, V
Liaw, BY
TI Measurement of Localized Current Distribution in a Vanadium Redox Flow
Battery
SO STATIONARY AND LARGE-SCALE ELECTRICAL ENERGY STORAGE SYSTEMS 3
SE ECS Transactions
LA English
DT Proceedings Paper
CT Symposium on Stationary and Large Scale Electrical Energy Storage
Systems 3 held during the 224th Meeting of the Electrochemical-Society
(ECS)
CY OCT 27-NOV 01, 2013
CL San Francisco, CA
SP Electrochem Soc, Battery Div, Energy Technol Div, Ind Electrochemistry & Electrochem Engn Div
ID PEM FUEL-CELLS; NEUTRON-RADIOGRAPHY
AB A printed circuit board with imbedded shunt resistors was developed and implemented to obtain distributed data in real time in an all-vanadium redox flow battery. This work discusses the development and design considerations for implementing this diagnostic approach. The in-situ data from this approach can be used to assess build quality, material performance, operating conditions, flow field design and degradation. In this work, the lateral current spread and influence of electrode material properties via a split electrode configuration was observed. It was shown that current shifts away from a hydrophobic electrode.
C1 [Clement, J. T.; Mench, M. M.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA.
[Zawodzinski, T. A.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Zawodzinski, T. A.; Mench, M. M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Clement, JT (reprint author), Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA.
FU Tennessee Solar Conversion and Storage using Outreach, Research and
Education (TN- SCORE); NSF EPS [1004083]
FX The authors would like to acknowledge the Tennessee Solar Conversion and
Storage using Outreach, Research and Education (TN- SCORE; NSF EPS #
1004083) for support.
NR 17
TC 3
Z9 3
U1 0
U2 14
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA
SN 1938-5862
BN 978-1-60768-525-8
J9 ECS TRANSACTIONS
PY 2014
VL 58
IS 37
BP 9
EP 16
DI 10.1149/05837.0009ecst
PG 8
WC Electrochemistry; Energy & Fuels; Engineering, Electrical & Electronic
SC Electrochemistry; Energy & Fuels; Engineering
GA BA9DT
UT WOS:000339275700002
ER
PT J
AU Andres, RJ
Boden, TA
Higdon, D
AF Andres, Robert J.
Boden, Thomas A.
Higdon, David
TI A new evaluation of the uncertainty associated with CDIAC estimates of
fossil fuel carbon dioxide emission
SO TELLUS SERIES B-CHEMICAL AND PHYSICAL METEOROLOGY
LA English
DT Article
DE climate change; carbon cycle; uncertainty analysis
ID COMBUSTION; TRENDS; SINKS
AB Three uncertainty assessments associated with the global total of carbon dioxide emitted from fossil fuel use and cement production are presented. Each assessment has its own strengths and weaknesses and none give a full uncertainty assessment of the emission estimates. This approach grew out of the lack of independent measurements at the spatial and temporal scales of interest. Issues of dependent and independent data are considered as well as the temporal and spatial relationships of the data. The result is a multifaceted examination of the uncertainty associated with fossil fuel carbon dioxide emission estimates. The three assessments collectively give a range that spans from 1.0 to 13% (2 sigma). Greatly simplifying the assessments give a global fossil fuel carbon dioxide uncertainty value of 8.4% (2 sigma). In the largest context presented, the determination of fossil fuel emission uncertainty is important for a better understanding of the global carbon cycle and its implications for the physical, economic and political world.
C1 [Andres, Robert J.; Boden, Thomas A.] Oak Ridge Natl Lab, Carbon Dioxide Informat Anal Ctr, Oak Ridge, TN 37831 USA.
[Higdon, David] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Andres, RJ (reprint author), Oak Ridge Natl Lab, Carbon Dioxide Informat Anal Ctr, Oak Ridge, TN 37831 USA.
EM andresrj@ornl.gov
OI ANDRES, ROBERT/0000-0001-8781-4979
FU US Department of Energy, Office of Science, Biological and Environmental
Research (BER) programs; US Department of Energy [DE-AC05-00OR22725]
FX RJA and TAB were sponsored by US Department of Energy, Office of
Science, Biological and Environmental Research (BER) programs and
performed at Oak Ridge National Laboratory (ORNL) under US Department of
Energy contract DE-AC05-00OR22725 to UT-Battelle, LLC. Since the
submitted manuscript has been co-authored by a contractor of the US
Government, the US Government retains a nonexclusive, royalty-free
license to publish or reproduce the published form of this contribution,
or allow others to do so, for US Government purposes. Gregg Marland
provided helpful discussions and review during the preparation of this
manuscript. Two anonymous reviewers provided helpful reviews of the
manuscript.
NR 35
TC 16
Z9 16
U1 4
U2 27
PU CO-ACTION PUBLISHING
PI JARFALLA
PA RIPVAGEN 7, JARFALLA, SE-175 64, SWEDEN
SN 0280-6509
EI 1600-0889
J9 TELLUS B
JI Tellus Ser. B-Chem. Phys. Meteorol.
PY 2014
VL 66
AR 23616
DI 10.3402/tellusb.v66.23616
PG 15
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AL6ZD
UT WOS:000339281600001
ER
PT S
AU Baca, AG
Kotobi, JA
Fortune, TR
Gorenz, A
Klem, JF
Briggs, RD
Clevenger, JB
Patrizi, GA
AF Baca, A. G.
Kotobi, J. A.
Fortune, T. R.
Gorenz, A.
Klem, J. F.
Briggs, R. D.
Clevenger, J. B.
Patrizi, G. A.
BE Ren, F
Wang, YL
Jang, S
Pearton, SJ
Stokes, EB
Kim, J
TI Wafer-Level Step-Stressing of InGaP/GaAs HBTs
SO WIDE BANDGAP SEMICONDUCTOR MATERIALS AND DEVICES 15
SE ECS Transactions
LA English
DT Proceedings Paper
CT Symposium on Wide Bandgap Semiconductor Materials and Devices 15 Held
during the 225th Meeting of the Electrochemical-Society
CY MAY 11-15, 2014
CL Orlando, FL
SP Electrochem Soc, Elect & Photon Div, Sensor Div
ID HETEROJUNCTION BIPOLAR-TRANSISTORS; RELIABILITY; DEGRADATION
AB Wafer-level step-stress experiments on high voltage Npn InGaP/GaAs HBTs are presented. A methodology utilizing brief, monotonically increasing stresses and periodic, interrupted parametric characterization is presented. The method and various examples of step-stressed HBTs illustrate the value of the technique for screening the reliability of HBT wafers. Degradation modes observed in these InGaP/GaAs HBTs closely correspond to a subset of those in other, longer types of reliability experiments and can be relevant in a reliability screen. A statistical sampling of HBT wafers reveals a consistently realized critical destructive limit over a very narrow power range, which indicates that thermal stress is the main cause of degradation. When stepped just shy of the destructive limit, electrical characteristics are capable of revealing gradual degradation. The end state of stressing typically involves shorting of both the base-emitter and base-collector junctions. Interrupted characterization revealed cases where base-emitter shorts preceded base-collector shorts and other cases where base-collector shorts occurred first. Examples of degradation include reductions in reverse breakdown voltage, increases in the offset voltage, and drops in current gain. These wafer-level step-stress techniques show promise for reducing the large time lag between wafer fabrication and useful reliability screening in HBTs.
C1 [Baca, A. G.; Kotobi, J. A.; Fortune, T. R.; Gorenz, A.; Klem, J. F.; Briggs, R. D.; Clevenger, J. B.; Patrizi, G. A.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Baca, AG (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
NR 15
TC 1
Z9 1
U1 0
U2 5
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA
SN 1938-5862
BN 978-1-60768-519-7
J9 ECS TRANSACTIONS
PY 2014
VL 61
IS 4
BP 9
EP 19
DI 10.1149/06104.0009ecst
PG 11
WC Electrochemistry; Materials Science, Multidisciplinary; Physics, Applied
SC Electrochemistry; Materials Science; Physics
GA BA8VR
UT WOS:000338846600002
ER
PT S
AU Xi, YY
Hwang, YH
Hsieh, YL
Li, S
Ren, F
Pearton, SJ
Patrick, E
Law, ME
Yang, G
Kim, HY
Kim, J
Baca, AG
Allerman, AA
Sanchez, C
AF Xi, Y. Y.
Hwang, Y. H.
Hsieh, Y. L.
Li, S.
Ren, F.
Pearton, S. J.
Patrick, E.
Law, M. E.
Yang, G.
Kim, H. Y.
Kim, J.
Baca, A. G.
Allerman, A. A.
Sanchez, C.
BE Ren, F
Wang, YL
Jang, S
Pearton, SJ
Stokes, EB
Kim, J
TI Effect of Proton Irradiation on DC Performance and Reliability of
Circular-Shaped AlGaN/GaN High Electron Mobility Transistors
SO WIDE BANDGAP SEMICONDUCTOR MATERIALS AND DEVICES 15
SE ECS Transactions
LA English
DT Proceedings Paper
CT Symposium on Wide Bandgap Semiconductor Materials and Devices 15 Held
during the 225th Meeting of the Electrochemical-Society
CY MAY 11-15, 2014
CL Orlando, FL
SP Electrochem Soc, Elect & Photon Div, Sensor Div
AB The effect of 5 MeV proton irradiation on DC performance and reliability of circular-shaped AlGaN/GaN high electron mobility transistors were investigated. The drain saturation current (I-DSS) reduced 12.5% and the sheet resistance increased 9.2% after irradiation with a dose of 2x10(14) 1/cm(2). Threshold voltage shifted more positively with a dose of 2x10(14) 1/cm(2) compared to 2x10(13)/cm(2). Besides, the breakdown voltage improved 39.8% after irradiation with dose of 2x10(14) 1/cm(2). Simulation was done and the peak electric field at the drain side of the gate edge was found to be reduced after irradiation. The defects generated after irradiation at the AlGaN/GaN interface create a virtual gate and thus reduce the electric field. Gate lag measurement was performed to characterize the defects. The current dispersion of DC to high frequency indicates the defects had been generated after irradiation, which is in agreement with the simulation data.
C1 [Xi, Y. Y.; Hwang, Y. H.; Hsieh, Y. L.; Li, S.; Ren, F.] Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA.
[Pearton, S. J.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA.
[Patrick, E.; Law, M. E.] Univ Florida, Dept Elect & Comp Engn, Gainesville, FL 32611 USA.
[Yang, G.; Kim, H. Y.; Kim, J.] Korea Univ, Dept Chem & Biol Engn, Seoul 136713, South Korea.
[Baca, A. G.; Allerman, A. A.; Sanchez, C.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
RP Xi, YY (reprint author), Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA.
FU U.S. DOD HDTRA; Basic Science Research Program through National Research
Foundation of Korea - Ministry of Education, Science and Technology
FX The work performed at UF was supported by an U.S. DOD HDTRA, monitored
by James Reed and an AFOSR MURI monitored by James Huang. The research
at Korea University was supported by Basic Science Research Program
through the National Research Foundation of Korea funded by the Ministry
of Education, Science and Technology.
NR 8
TC 0
Z9 0
U1 0
U2 1
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA
SN 1938-5862
BN 978-1-60768-519-7
J9 ECS TRANSACTIONS
PY 2014
VL 61
IS 4
BP 179
EP 185
DI 10.1149/06104.0179ecst
PG 7
WC Electrochemistry; Materials Science, Multidisciplinary; Physics, Applied
SC Electrochemistry; Materials Science; Physics
GA BA8VR
UT WOS:000338846600023
ER
PT S
AU Hwang, YH
Hsieh, YL
Lei, L
Li, S
Ren, F
Pearton, SJ
Yadav, A
Schwarz, C
Shatkhin, M
Wang, L
Flitsiyan, E
Chernyak, L
Baca, AG
Allerman, AA
Sanchez, CA
Kravchenko, II
AF Hwang, Y. H.
Hsieh, Y. L.
Lei, L.
Li, S.
Ren, F.
Pearton, S. J.
Yadav, A.
Schwarz, C.
Shatkhin, M.
Wang, L.
Flitsiyan, E.
Chernyak, L.
Baca, Albert. G.
Allerman, Andrew A.
Sanchez, Carlos A.
Kravchenko, I. I.
BE Ren, F
Wang, YL
Jang, S
Pearton, SJ
Stokes, EB
Kim, J
TI Effect of Gamma Irradiation on DC Performance of Circular-Shaped
AlGaN/GaN High Electron Mobility Transistors
SO WIDE BANDGAP SEMICONDUCTOR MATERIALS AND DEVICES 15
SE ECS Transactions
LA English
DT Proceedings Paper
CT Symposium on Wide Bandgap Semiconductor Materials and Devices 15 Held
during the 225th Meeting of the Electrochemical-Society
CY MAY 11-15, 2014
CL Orlando, FL
SP Electrochem Soc, Elect & Photon Div, Sensor Div
AB The effect of low dose gamma irradiation on DC performance of circular-shaped AlGaN/GaN high electron mobility transistors weas investigated. The drain saturation current (I-DS) increased 11.44% after irradiation with a dose of 700 Gy. Sheet resistance (Rs) was measured from transfer line method and it decreased 3.6% after irradiation. By extracting the resistance between source and drain in the drain I-V curve and combining with TLM data, mobility was found to increase 34.53% after irradiation. The mobility increase may come from the donor-type defects or the strain relaxation effect. Gate lag measurement was also performed and 5% current dispersion was found after irradiation with the dose of 700 Gy, indicating there were more defects generated after irradiation.
C1 [Hwang, Y. H.; Hsieh, Y. L.; Lei, L.; Li, S.; Ren, F.] Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA.
[Pearton, S. J.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA.
[Yadav, A.; Schwarz, C.; Wang, L.; Flitsiyan, E.; Chernyak, L.] Univ Cent Florida, Dept Phys, Orlando, FL 32816 USA.
[Baca, Albert. G.; Allerman, Andrew A.; Sanchez, Carlos A.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Kravchenko, I. I.] Ctr Nanophase Mat Sci, Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA.
RP Hwang, YH (reprint author), Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA.
RI Kravchenko, Ivan/K-3022-2015
OI Kravchenko, Ivan/0000-0003-4999-5822
FU U.S. DOD HDTRA [1-11-10020]; Oak Ridge National Laboratory by the Office
of Basic Energy Sciences, U. S. Department of Energy
FX The work performed at UF is supported by an U.S. DOD HDTRA Grant No.
1-11-10020 monitored by Dr. James Reed. A portion of this research was
conducted at the Center for Nanophase Materials Sciences, which is
sponsored at Oak Ridge National Laboratory by the Office of Basic Energy
Sciences, U. S. Department of Energy.
NR 8
TC 0
Z9 0
U1 0
U2 2
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA
SN 1938-5862
BN 978-1-60768-519-7
J9 ECS TRANSACTIONS
PY 2014
VL 61
IS 4
BP 205
EP 210
DI 10.1149/06104.0205ecst
PG 6
WC Electrochemistry; Materials Science, Multidisciplinary; Physics, Applied
SC Electrochemistry; Materials Science; Physics
GA BA8VR
UT WOS:000338846600026
ER
PT S
AU Shenai, K
Christou, A
Dudley, M
Ragothamachar, B
Singh, R
AF Shenai, Krishna
Christou, Aris
Dudley, Michael
Ragothamachar, Balaji
Singh, Rajendra
BE Ren, F
Wang, YL
Jang, S
Pearton, SJ
Stokes, EB
Kim, J
TI Crystal Defects in Wide Bandgap Semiconductors
SO WIDE BANDGAP SEMICONDUCTOR MATERIALS AND DEVICES 15
SE ECS Transactions
LA English
DT Proceedings Paper
CT Symposium on Wide Bandgap Semiconductor Materials and Devices 15 Held
during the 225th Meeting of the Electrochemical-Society
CY MAY 11-15, 2014
CL Orlando, FL
SP Electrochem Soc, Elect & Photon Div, Sensor Div
ID SILICON-CARBIDE; BIPOLAR-DEVICES; DIODES; DISLOCATIONS; RELIABILITY;
ELECTRONICS; EPITAXY
AB The state-of-the-art power switching devices made from SiC and GaN semiconductors contain a high density of crystal defects. Most of these defects are present in starting wafers and some are generated during device processing. There is little conclusive evidence so far on the exact role that the crystal defects paly on device performance, manufacturing yield, and more importantly, long-term field-reliability especially when devices are operating under extreme stressful environments. This paper provides a review of the current state-of-the-art of SiC and GaN power semiconductor material technology, and the potential impact crystal defects may have on high-density power switching electronics. A review of silicon technology development and manufacturing evolution is made to draw a parallel between silicon and wide bandgap (WBG) semiconductor power electronics.
C1 [Shenai, Krishna] Argonne Natl Lab, Energy Syst Div, 9700 South Cass Ave,Bldg 362, Argonne, IL 60439 USA.
[Christou, Aris] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA.
[Dudley, Michael; Ragothamachar, Balaji] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA.
[Singh, Rajendra] Clemson Univ, Holcombe Dept Elect & Comp Engn, Clemson, SC 29634 USA.
RP Shenai, K (reprint author), Argonne Natl Lab, Energy Syst Div, 9700 South Cass Ave,Bldg 362, Argonne, IL 60439 USA.
NR 26
TC 0
Z9 0
U1 2
U2 11
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA
SN 1938-5862
BN 978-1-60768-519-7
J9 ECS TRANSACTIONS
PY 2014
VL 61
IS 4
BP 283
EP 293
DI 10.1149/06104.0283ecst
PG 11
WC Electrochemistry; Materials Science, Multidisciplinary; Physics, Applied
SC Electrochemistry; Materials Science; Physics
GA BA8VR
UT WOS:000338846600036
ER
PT S
AU Sun, CN
Zawodzinski, TA
Ren, F
Keum, JK
Chen, J
AF Sun, C. N.
Zawodzinski, T. A.
Ren, F.
Keum, J. K.
Chen, J.
BE Madou, M
Hoff, A
Kostecki, R
Wang, C
Carter, MT
Kamath, R
Landheer, D
TI Nanostructure-Driven Ion Transport in PCBM-Based Polymer Electrolytes
SO CARBON ELECTRONICS: INTERFACES TO METALS, DIELECTRICS, AND ELECTROLYTES
SE ECS Transactions
LA English
DT Proceedings Paper
CT Symposium on Carbon Electronics - Interfaces to Metals, Dielectrics, and
Electrolytes held During the 225th Meeting of the
Electrochemical-Society (ECS)
CY MAY 11-15, 2014
CL Orlando, FL
SP Electrochem Soc, Dielectr Sci & Technol Div, Battery Div, Elect & Photon Div, Fullerenes, Nanotubes, & Carbon Nanostructures Div, Sensor Div
ID LITHIUM BATTERIES; CONDUCTIVITY; NANOCOMPOSITES; NANOPARTICLES;
COMPOSITE
AB In this study, we report the nanostructure, crystallization, mechanical properties, and temperature-dependent ion conductivities of fullerene-based polymer-matrix nanocomposite electrolyte.
C1 [Sun, C. N.; Zawodzinski, T. A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Zawodzinski, T. A.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Ren, F.] Temple Univ, Dept Engn Mech, Philadelphia, PA 19122 USA.
[Keum, J. K.; Chen, J.] Oak Ridge Natl Lab, Ctr Nanophase mat Sci, Oak Ridge, TN 37831 USA.
RP Sun, CN (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RI Chen, Jihua/F-1417-2011; Keum, Jong/N-4412-2015
OI Chen, Jihua/0000-0001-6879-5936; Keum, Jong/0000-0002-5529-1373
FU Division of Scientific User Facilities; Office of Basic Energy Sciences;
U. S. Department of Energy
FX A portion of this research was conducted at the Center for Nanophase
Materials Sciences, which is sponsored at Oak Ridge National Laboratory
by the Division of Scientific User Facilities, Office of Basic Energy
Sciences, U. S. Department of Energy.
NR 11
TC 0
Z9 0
U1 1
U2 5
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA
SN 1938-5862
BN 978-1-60768-522-7
J9 ECS TRANSACTIONS
PY 2014
VL 61
IS 7
BP 31
EP 33
DI 10.1149/06107.0031ecst
PG 3
WC Electrochemistry; Engineering, Electrical & Electronic; Materials
Science, Multidisciplinary
SC Electrochemistry; Engineering; Materials Science
GA BA8WL
UT WOS:000338922100004
ER
PT S
AU Searcy, E
Hess, JR
Tumuluru, J
Ovard, L
Muth, DJ
Tromborg, E
Wild, M
Deutmeyer, M
Nikolaisen, L
Ranta, T
Hoefnagels, R
AF Searcy, Erin
Hess, J. Richard
Tumuluru, JayaShankar
Ovard, Leslie
Muth, David J.
Tromborg, Erik
Wild, Michael
Deutmeyer, Michael
Nikolaisen, Lars
Ranta, Tapio
Hoefnagels, Ric
BE Junginger, M
Goh, CS
Faaij, A
TI Optimization of Biomass Transport and Logistics
SO INTERNATIONAL BIOENERGY TRADE: HISTORY, STATUS & OUTLOOK ON SECURING
SUSTAINABLE BIOENERGY SUPPLY, DEMAND AND MARKETS
SE Lecture Notes in Energy
LA English
DT Article; Book Chapter
ID WOOD PELLETS; BIOENERGY; COSTS
AB Global demand for lignocellulosic biomass is growing, driven by a desire to increase the contribution of renewable energy to the world energy mix. A barrier to the expansion of this industry is that biomass is not always geographically where it needs to be, nor does it have the characteristics required for efficient handling, storage, and conversion, due to low energy density compared to fossil fuels. Technologies exist that can create a more standardized feedstock for conversion processes and decrease handling and transport costs; however, the cost associated with those operations often results in a feedstock that is too expensive. The disconnect between quantity of feedstock needed to meet bioenergy production goals, the quality required by the conversion processes, and the cost bioenergy producers are able to pay creates a need for new and improved technologies that potentially remove barriers associated with biomass use.
Because of their impact on feedstock cost, feedstock location and raw physical format are key barriers to industry expansion and intercontinental trade. One approach to reducing biomass cost is to emulate the commodity fossil-fuel-based feedstocks that biomass must compete with in terms of logistics, quality, and market characteristics. This requires preprocessing the biomass to improve density, flowability, stability, consistency, and conversion performance. Making the biomass format compatible with existing high-capacity transportation and handling infrastructure will reduce the need for new infrastructure. Producing biomass with these characteristics at costs conducive to energy production requires the development of new technologies or improvements to existing ones.
C1 [Searcy, Erin; Hess, J. Richard; Tumuluru, JayaShankar; Ovard, Leslie] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Muth, David J.] Praxik LLC, Ames, IA USA.
[Tromborg, Erik] Norwegian Univ Life Sci, Dept Ecol & Nat Resource Management, As, Norway.
[Wild, Michael] Wild & Partner KG, Vienna, Austria.
[Deutmeyer, Michael] Green Resources AS, Biomass & Bioenergy, London, England.
[Nikolaisen, Lars] Danish Technol Inst, Taastrup, Denmark.
[Ranta, Tapio] Lappeenranta Univ Technol, Dept Energy & Environm Technol, Lappeenranta, Finland.
[Hoefnagels, Ric] Univ Utrecht, Fac Geosci, Utrecht, Netherlands.
RP Hess, JR (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA.
EM erin.searcy@inl.gov; jrichard.hess@inl.gov;
jayashankar.tumuluru@inl.gov; leslie.ovard@inl.gov;
david.muth@praxik.com; erik.tromborg@umb.no; michael@wild.or.at;
Michael.Deutmeyer@green-carbon-group.com;
Lars.Nikolaisen@teknologisk.dk; tapio.ranta@lut.fi; r.hoefnagels@uu.nl
OI Ovard, Leslie/0000-0002-9021-8286
NR 47
TC 1
Z9 1
U1 0
U2 3
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 2195-1284
BN 978-94-007-6981-6
J9 LECT N ENERG
PY 2014
VL 17
BP 103
EP 123
DI 10.1007/978-94-007-6982-3_5
D2 10.1007/978-94-007-6982-3
PG 21
WC Economics; Energy & Fuels; Environmental Sciences; Environmental Studies
SC Business & Economics; Energy & Fuels; Environmental Sciences & Ecology
GA BA5SQ
UT WOS:000336986100005
ER
PT S
AU Pelkmans, L
Goovaerts, L
Goh, CS
Junginger, M
van Dam, J
Stupak, I
Smith, CT
Chum, H
Englund, O
Berndes, G
Cowie, A
Thiffault, E
Fritsche, U
Thran, D
AF Pelkmans, Luc
Goovaerts, Liesbet
Goh, Chun Sheng
Junginger, Martin
van Dam, Jinke
Stupak, Inge
Smith, C. Tattersall
Chum, Helena
Englund, Oskar
Berndes, Goeran
Cowie, Annette
Thiffault, Evelyne
Fritsche, Uwe
Thraen, Daniela
BE Junginger, M
Goh, CS
Faaij, A
TI The Role of Sustainability Requirements in International Bioenergy
Markets
SO INTERNATIONAL BIOENERGY TRADE: HISTORY, STATUS & OUTLOOK ON SECURING
SUSTAINABLE BIOENERGY SUPPLY, DEMAND AND MARKETS
SE Lecture Notes in Energy
LA English
DT Article; Book Chapter
AB As the main driver for bioenergy is to enable society to transform to more sustainable fuel and energy production systems, it is important to safeguard that bioenergy deployment happens within certain sustainability constraints. There is currently a high number of initiatives, including binding regulations and several voluntary sustainability standards for biomass, bioenergy and/or biofuels. Within IEA Bioenergy studies were performed to monitor the actual implementation process of sustainability regulations and certification, evaluate how stakeholders are affected and envisage the anticipated impact on worldwide markets and trade. On the basis of these studies, recommendations were made on how sustainability requirements could actually support further bioenergy deployment. Markets would gain from more harmonization and cross-compliance. A common language is needed as 'sustainability' of biomass involves different policy arenas and legal settings. Policy pathways should be clear and predictable, and future revisions of sustainability requirements should be open and transparent. Sustainability assurance systems (both through binding regulations and voluntary certification) should take into account how markets work, in relation to different biomass applications (avoiding discrimination among end-uses and users). It should also take into account the way investment decisions are taken, administrative requirements for smallholders, and the position of developing countries.
C1 [Pelkmans, Luc; Goovaerts, Liesbet] VITO NV, Unit Separat & Convers Proc, BE-2400 Mol, Belgium.
[Goh, Chun Sheng; Junginger, Martin] Univ Utrecht, Copernicus Inst Sustainable Dev, Fac Geosci, Utrecht, Netherlands.
[van Dam, Jinke] SQ Consult, Utrecht, Netherlands.
[Stupak, Inge] Univ Copenhagen, Fac Sci, Dept Geosci & Nat Resource Management IGN, Copenhagen, Denmark.
[Smith, C. Tattersall] Univ Toronto, Fac Forestry, Toronto, ON, Canada.
[Chum, Helena] Natl Renewable Energy Lab, Golden, CO USA.
[Englund, Oskar; Berndes, Goeran] Chalmers, S-41296 Gothenburg, Sweden.
[Cowie, Annette] Univ New England, Rural Climate Solut, Armidale, NSW, Australia.
[Thiffault, Evelyne] Nat Resources Canada, Laurentian Forestry Ctr, Canadian Forest Serv, Succ St Foy, PQ, Canada.
[Fritsche, Uwe] Int Inst Sustainabil Anal & Strategy IINAS, Darmstadt, Germany.
[Thraen, Daniela] German Biomass Res Ctr DBFZ, Dept Bioenergy Syst, Leipzig, Germany.
RP Pelkmans, L (reprint author), VITO NV, Unit Separat & Convers Proc, Boeretang 200, BE-2400 Mol, Belgium.
EM luc.pelkmans@vito.be
OI Fritsche, Uwe/0000-0003-1552-7959; Englund, Oskar/0000-0002-1662-6951
NR 19
TC 1
Z9 1
U1 0
U2 2
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 2195-1284
BN 978-94-007-6981-6
J9 LECT N ENERG
PY 2014
VL 17
BP 125
EP 149
DI 10.1007/978-94-007-6982-3_6
D2 10.1007/978-94-007-6982-3
PG 25
WC Economics; Energy & Fuels; Environmental Sciences; Environmental Studies
SC Business & Economics; Energy & Fuels; Environmental Sciences & Ecology
GA BA5SQ
UT WOS:000336986100006
ER
PT J
AU Wang, H
Li, S
Si, YM
Sun, ZZ
Li, SY
Lin, YH
AF Wang, Hua
Li, Shuai
Si, Yanmei
Sun, Zongzhao
Li, Shuying
Lin, Yuehe
TI Recyclable enzyme mimic of cubic Fe3O4 nanoparticles loaded on graphene
oxide-dispersed carbon nanotubes with enhanced peroxidase-like catalysis
and electrocatalysis
SO JOURNAL OF MATERIALS CHEMISTRY B
LA English
DT Article
ID IRON-OXIDE; MAGNETIC NANOPARTICLES; MODIFIED ELECTRODES; BIOSENSORS;
GLUCOSE; ELECTROCHEMISTRY; SITES
AB Fe3O4 nanoparticles as nanocatalysts may present peroxidase-like catalysis activities and high electrocatalysis if loaded on conductive carbon nanotube (CNT) supports; however, their catalysis performances in an aqueous system might still be challenged by the poor aqueous dispersion of hydrophobic carbon supports and/or low stability of loaded iron catalysts. In this work, amphiphilic graphene oxide nanosheets were employed as "surfactant" to disperse CNTs to create stable graphene oxide-dispersed CNT (GCNT) supports in water for covalently loading cubic Fe3O4 nanoparticles with improved distribution and binding efficiency. Compared with original Fe3O4 nanos and CNT-loaded Fe3O4 nanocomplex, the prepared GCNT-Fe3O4 nanocomposite could achieve higher aqueous stability and, especially, much stronger peroxidase-like catalysis and electrocatalysis to H2O2, presumably resulting from the synergetic effects of two conductive carbon supports and cubic Fe3O4 nanocatalysts effectively loaded. Colorimetric and direct electrochemical detections of H2O2 and glucose using the GCNT-Fe3O4 nanocomposite were conducted with high detection sensitivities, demonstrating the feasibility of practical sensing applications. Such a magnetically recyclable "enzyme mimic" may circumvent some disadvantages of natural protein enzymes and common inorganic catalysts, featuring the multi-functions of high peroxidase-like catalysis, strong electrocatalysis, magnetic separation/recyclability, environmental stability, and direct H2O2 electrochemistry.
C1 [Wang, Hua; Li, Shuai; Si, Yanmei; Sun, Zongzhao; Li, Shuying] Qufu Normal Univ, Sch Chem & Chem Engn, Shandong Prov Key Lab Life Organ Anal, Qufu City 273165, Peoples R China.
[Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Lin, Yuehe] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.
RP Wang, H (reprint author), Qufu Normal Univ, Sch Chem & Chem Engn, Shandong Prov Key Lab Life Organ Anal, Qufu City 273165, Peoples R China.
EM huawangqfnu@126.com; yuehe.lin@wsu.edu
RI Lin, Yuehe/D-9762-2011
OI Lin, Yuehe/0000-0003-3791-7587
FU Counter ACT Program, through the National Institute of Neurological
Disorders and Stroke of the United States [NS058161-01]; National
Natural Science Foundation of China [21375075]; Taishan Scholar
Foundation of Shandong Province, P.R. China; DOE [DE-AC05-76RL01830];
National Institute of Health
FX This work is supported by the National Institutes of Health, Counter ACT
Program, through the National Institute of Neurological Disorders and
Stroke of the United States (NS058161-01), the National Natural Science
Foundation of China (21375075), and the Taishan Scholar Foundation of
Shandong Province, P.R. China.; The contents of this publication are
solely the responsibility of the authors and do not necessarily
represent the official views of the Federal Government. PNNL is operated
by Battelle for DOE under Contract DE-AC05-76RL01830.
NR 44
TC 24
Z9 24
U1 10
U2 95
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-750X
EI 2050-7518
J9 J MATER CHEM B
JI J. Mat. Chem. B
PY 2014
VL 2
IS 28
BP 4442
EP 4448
DI 10.1039/c4tb00541d
PG 7
WC Materials Science, Biomaterials
SC Materials Science
GA AK7ZD
UT WOS:000338646000006
ER
PT J
AU Flinn, JM
Kakalec, P
Tappero, R
Jones, B
Lengyel, I
AF Flinn, Jane M.
Kakalec, Peter
Tappero, Ryan
Jones, Blair
Lengyel, Imre
TI Correlations in distribution and concentration of calcium, copper and
iron with zinc in isolated extracellular deposits associated with
age-related macular degeneration
SO METALLOMICS
LA English
DT Article
ID RETINAL-PIGMENT EPITHELIUM; ALZHEIMERS-DISEASE; FACTOR-H; DRUSEN
FORMATION; BRUCHS MEMBRANE; X-RAY; COMPLEMENT ACTIVATION; GEOGRAPHIC
ATROPHY; BASAL DEPOSITS; AGING EYE
AB Zinc (Zn) is abundantly enriched in sub-retinal pigment epithelial (RPE) deposits, the hallmarks of age-related macular degeneration (AMD), and is thought to play a role in the formation of these deposits. However, it is not known whether Zn is the only metal relevant for sub-RPE deposit formation. Because of their involvement in the pathogenesis of AMD, we determined the concentration and distribution of calcium (Ca), iron (Fe) and copper (Cu) and compared these with Zn in isolated and sectioned macular (MSD), equatorial (PHD) and far peripheral (FPD) sub-RPE deposits from an 86 year old donor eye with post mortem diagnosis of early AMD. The sections were mounted on Zn free microscopy slides and analyzed by microprobe synchrotron X-ray fluorescence (mu SXRF). Metal concentrations were determined using spiked sectioned sheep brain matrix standards, prepared the same way as the samples. The heterogeneity of metal distributions was examined using pixel by pixel comparison. The orders of metal concentrations were Ca >>> Zn > Fe in all three types of deposits but Cu levels were not distinguishable from background values. Zinc and Ca were consistently present in all deposits but reached highest concentration in MSD. Iron was present in some but not all deposits and was especially enriched in FPD. Correlation analysis indicated considerable variation in metal distribution within and between sub-RPE deposits. The results suggest that Zn and Ca are the most likely contributors to deposit formation especially in MSD, the characteristic risk factor for the development of AMD in the human eye.
C1 [Flinn, Jane M.; Kakalec, Peter] George Mason Univ, Fairfax, VA 22030 USA.
[Tappero, Ryan] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA.
[Jones, Blair] US Geol Survey, Reston, VA 22092 USA.
[Lengyel, Imre] UCL, UCL Inst Ophthalmol, London EC1V 9EL, England.
RP Lengyel, I (reprint author), UCL, UCL Inst Ophthalmol, 11-43 Bath St, London EC1V 9EL, England.
EM i.lengyel@ucl.ac.uk
FU Bill Brown Charitable Trust Senior Research Fellowship; Moorfields Eye
Hospital Special Trustees; Mercer Fund from Fight for Sight; DOE, Office
of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; NIHR;
U.S. Department of Energy (DOE) - Geosciences [DE-FG02-92ER14244, X27A]
FX We thank Professors Alan C Bird, Richard Thompson and Erinn Gideon for
their generous help and Dr David Sterratt for reconstructing the flat
mounted samples. The research was supported by the Bill Brown Charitable
Trust Senior Research Fellowship, Moorfields Eye Hospital Special
Trustees and Mercer Fund from Fight for Sight (I.L). Portions of this
work were performed at Beamline X27A, National Synchrotron Light Source
(NSLS), Brookhaven National Laboratory, under a General user grant to
JMF. X27A is supported in part by the U.S. Department of Energy (DOE) -
Geosciences (DE-FG02-92ER14244 to The University of Chicago - CARS). Use
of the NSLS was supported by the DOE, Office of Science, Office of Basic
Energy Sciences, under Contract No. DE-AC02-98CH10886. Tissue for this
project was provided by the UCL Institute of Ophthalmology and
Moor-fields Eye Hospital Eye Tissue Repository supported by NIHR
funding.
NR 48
TC 10
Z9 10
U1 1
U2 12
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 2014
VL 6
IS 7
BP 1223
EP 1228
DI 10.1039/c4mt00058g
PG 6
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA AK7WI
UT WOS:000338638000007
PM 24740686
ER
PT S
AU Pietryga, JM
Bae, WK
Park, YS
Robel, I
Klimov, VI
AF Pietryga, Jeffrey M.
Bae, Wan Ki
Park, Young-Shin
Robel, Istvan
Klimov, Victor I.
BE Mascher, P
Lockwood, DJ
TI Improving the Performance of Quantum Dot Light-Emitting Diodes through
Nanoscale Engineering
SO NANOSCALE LUMINESCENT MATERIALS 3
SE ECS Transactions
LA English
DT Proceedings Paper
CT International Symposium on Silicon Compatible Materials, Processes, and
Technologies for Advanced Integrated Circuits and Emerging Applications
4 has been held as a part of the 225th Meeting of the
Electrochemical-Society
CY MAY 12-14, 2014
CL Orlando, FL
SP Electrochem Soc, Electrochem Soc, Elect & Photon Div, Electrochem Soc, Dielectr Sci & Technol Div, Luminescence & Display Mat Div, Air Liquide, ASM Int, Gelest, IBM, Qualcomm Inc
AB Despite tremendous progress since the first demonstration of QD-based light-emitting diodes (QD-LEDs) there is substantial room for improvement in performance, particularly at high current densities. Here we analyze the role of Auger recombination in the performance of QD-LEDs by conducting a systematic characterization of device performance in conjunction with time-resolved spectroscopic studies of photoexcited carriers directly within the device structure. We use a series of structurally engineered core/shell QDs that exhibit very similar single-exciton properties, but distinctly different rates of non-radiative Auger recombination to show that both QD-LED efficiency and the onset for efficiency roll-off are strongly influenced by Auger recombination. Finally, we demonstrate that device efficiency can be improved by either reducing Auger recombination rates, or by improving charge-injection balance, both of which can be accomplished through engineering of the QD structure.
C1 [Pietryga, Jeffrey M.; Bae, Wan Ki; Park, Young-Shin; Robel, Istvan; Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA.
RP Pietryga, JM (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA.
OI Klimov, Victor/0000-0003-1158-3179
NR 42
TC 0
Z9 0
U1 0
U2 9
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA
SN 1938-5862
BN 978-1-60768-520-3
J9 ECS TRANSACTIONS
PY 2014
VL 61
IS 5
BP 75
EP 85
DI 10.1149/06105.0075ecst
PG 11
WC Electrochemistry; Nanoscience & Nanotechnology
SC Electrochemistry; Science & Technology - Other Topics
GA BA8WP
UT WOS:000338927300009
ER
PT J
AU Descombes, S
Duarte, M
Dumont, T
Laurent, F
Louvet, V
Massot, M
AF Descombes, Stephane
Duarte, Max
Dumont, Thierry
Laurent, Frederique
Louvet, Violaine
Massot, Marc
TI ANALYSIS OF OPERATOR SPLITTING IN THE NONASYMPTOTIC REGIME FOR NONLINEAR
REACTION-DIFFUSION EQUATIONS. APPLICATION TO THE DYNAMICS OF PREMIXED
FLAMES
SO SIAM JOURNAL ON NUMERICAL ANALYSIS
LA English
DT Article
DE operator splitting; error bounds; reaction-diffusion; traveling waves;
combustion
ID NAVIER-STOKES EQUATIONS; STEP METHOD; ERROR; COMBUSTION; CHEMISTRY;
SYSTEMS; SIMULATION; ACCURACY; BEHAVIOR; SCHEMES
AB In this paper we mathematically characterize through a Lie formalism the local errors induced by operator splitting when solving nonlinear reaction-diffusion equations, especially in the nonasymptotic regime. The nonasymptotic regime is often attained in practice when the splitting time step is much larger than some of the scales associated with either source terms or the diffusion operator when large gradients are present. In a series of previous works a reduction of the asymptotic orders for a range of large splitting time steps related to very short time scales in the nonlinear source term has been studied, as well as that associated with large gradients but for linearized equations. This study provides a key theoretical step forward since it characterizes the numerical behavior of splitting errors within a more general nonlinear framework, for which new error estimates can be derived by coupling Lie formalism and regularizing effects of the heat equation. The validity of these theoretical results is then assessed in the framework of two numerical applications: a Kolmogorov-Petrovskii-Piskunov-type reaction wave where the influence of stiffness on local error estimates can be thoroughly investigated and a much more complex problem, related to premixed flame dynamics in the low Mach number regime with complex chemistry and detailed transport, for which the present theoretical study provides relevant insights.
C1 [Descombes, Stephane; Duarte, Max] Univ Nice Sophia Antipolis, CNRS, LJAD, UMR 7351, F-06100 Nice, France.
[Descombes, Stephane] INRIA Sophia Antipolis Mediterrane Res Ctr, Nachos Project Team, F-06902 Sophia Antipolis, France.
[Duarte, Max] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, CCSE, Berkeley, CA 94720 USA.
[Dumont, Thierry; Louvet, Violaine] Univ Lyon 1, Inst Camille Jordan UMR CNRS 5208, INSA Lyon 69621, Ecole Cent Lyon, F-69622 Villeurbanne, France.
[Laurent, Frederique; Massot, Marc] Ecole Cent Paris, Lab UPR CNRS 288 EM2C, F-92295 Chatenay Malabry, France.
RP Descombes, S (reprint author), Univ Nice Sophia Antipolis, CNRS, LJAD, UMR 7351, F-06100 Nice, France.
EM stephane.descombes@unice.fr; MDGonzalez@lbl.gov;
tdumont@math.univ-lyon1.fr; frederique.laurent@ecp.fr;
louvet@math.univ-lyon1.fr; marc.massot@ecp.fr
FU ANR project grant (French National Research Agency-ANR Blancs):
Sechelles; DIGITEO RTRA project: MUSE; France-Stanford project
FX This work was supported by an ANR project grant (French National
Research Agency-ANR Blancs): Sechelles (PI S. Descombes, 2009-2013), by
a DIGITEO RTRA project: MUSE (PI M. Massot, 2010-2014), and by a
France-Stanford project (PIs P. Moin & M. Massot, 2011-2012).
NR 45
TC 2
Z9 2
U1 0
U2 2
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 0036-1429
EI 1095-7170
J9 SIAM J NUMER ANAL
JI SIAM J. Numer. Anal.
PY 2014
VL 52
IS 3
BP 1311
EP 1334
DI 10.1137/130926006
PG 24
WC Mathematics, Applied
SC Mathematics
GA AL0PP
UT WOS:000338829200010
ER
PT J
AU Chen, JQ
Burer, S
AF Chen, Jieqiu
Burer, Samuel
TI A FIRST-ORDER SMOOTHING TECHNIQUE FOR A CLASS OF LARGE-SCALE LINEAR
PROGRAMS
SO SIAM JOURNAL ON OPTIMIZATION
LA English
DT Article
DE excessive-gap technique; large-scale linear programming; nonsmooth
optimization; machine learning
ID MINIMIZATION; OPTIMIZATION
AB We study a class of linear programming (LP) problems motivated by large-scale machine learning applications. After reformulating the LP as a convex nonsmooth problem, we apply Nesterov's primal-dual excessive-gap technique. The iteration complexity of the excessive-gap technique depends on a parameter theta that arises because we must bound the primal feasible set, which is originally unbounded. We also dynamically update theta to speed up the convergence. The application of our algorithm to two machine learning problems demonstrates several advantages of the excessive-gap technique over existing methods.
C1 [Chen, Jieqiu] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA.
[Burer, Samuel] Univ Iowa, Dept Management Sci, Iowa City, IA 52242 USA.
EM jieqiu0808@gmail.com; samuel-burer@uiowa.edu
FU Office of Advanced Scientific Computing Research, Office of Science,
U.S. Department of Energy [DE-AC02-06CH11357]; NSF [CCF-0545514]; U.S.
Department of Energy [DE-AC02-06CH11357]
FX The submitted manuscript has been created by the UChicago Argonne, LLC,
Operator of Argonne National Laboratory ("Argonne") under Contract
DE-AC02-06CH11357 with the U.S. Department of Energy. The U. S.
Government retains for itself, and others acting on its behalf, a
paid-up, nonexclusive, irrevocable worldwide license in said article to
reproduce, prepare derivative works, distribute copies to the public,
and perform publicly and display publicly, by or on behalf of the
Government. This research was supported in part by NSF grant
CCF-0545514.; This manuscript was prepared while the author was a
postdoctoral fellow at Mathematics and Computer Science Division,
Argonne National Laboratory, Argonne, IL 60439 (jieqiu0808@gmail.com).
This author's research was supported in part by the Office of Advanced
Scientific Computing Research, Office of Science, U.S. Department of
Energy, under contract DE-AC02-06CH11357.
NR 22
TC 2
Z9 2
U1 0
U2 2
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 1052-6234
EI 1095-7189
J9 SIAM J OPTIMIZ
JI SIAM J. Optim.
PY 2014
VL 24
IS 2
BP 598
EP 620
DI 10.1137/110854400
PG 23
WC Mathematics, Applied
SC Mathematics
GA AL0PL
UT WOS:000338828800003
ER
PT S
AU Aryal, NB
Baral, KK
Esteves-Macaluso, DA
Thomas, CM
Hellhund, J
Kilcoyne, ALD
Lomsadze, R
Muller, A
Schippers, S
Phaneuf, RA
AF Aryal, N. B.
Baral, K. K.
Esteves-Macaluso, D. A.
Thomas, C. M.
Hellhund, J.
Kilcoyne, A. L. D.
Lomsadze, R.
Mueller, A.
Schippers, S.
Phaneuf, R. A.
GP IOP
TI Photoionization of Xe inside a C-60(+) cage: a single-molecule electron
interferometer
SO XXVIII INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC AND ATOMIC
COLLISIONS (ICPEAC)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 28th International Conference on Photonic, Electronic and Atomic
Collisions (ICPEAC)
CY JUL 24-30, 2013
CL Chinese Acad Sci, Inst Modern Phys, Lanzhou, PEOPLES R CHINA
SP Natl Nat Sci Fdn China, Chinese Acad Sci, Int Union Pure & Appl Phys, Inst Modern Phys, Youth Innovat Promot Assoc, Inst Modern Phys
HO Chinese Acad Sci, Inst Modern Phys
AB Absolute cross sections are reported for double photoionization accompanied by loss of n C atoms (n = 0, 2, 4, 6) of endohedral Xe@C-60(+) molecular ions in the photon energy range 60-150 eV. The experimental data show clear evidence of confinement resonances arising from interference of outgoing 4d photoelectron waves.
C1 [Aryal, N. B.; Baral, K. K.; Esteves-Macaluso, D. A.; Thomas, C. M.; Hellhund, J.; Lomsadze, R.; Phaneuf, R. A.] Univ Nevada, Dept Phys, Reno, NV 89557 USA.
[Kilcoyne, A. L. D.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Hellhund, J.; Mueller, A.; Schippers, S.] Justus Liebig Univ, Inst Atom & Molekulphys, Giessen, Germany.
RP Aryal, NB (reprint author), Univ Nevada, Dept Phys, Reno, NV 89557 USA.
EM Alfred.Mueller@iamp.physik.uni-giessen.de; phaneuf@physics.unr.edu
RI Muller, Alfred/A-3548-2009; Kilcoyne, David/I-1465-2013; Schippers,
Stefan/A-7786-2008
OI Muller, Alfred/0000-0002-0030-6929; Schippers,
Stefan/0000-0002-6166-7138
NR 3
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 488
AR UNSP 022033
DI 10.1088/1742-6596/488/2/022033
PG 1
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA8PG
UT WOS:000338432500092
ER
PT S
AU Brezinova, I
Burgdorfer, J
Lode, AUJ
Streltsov, AI
Cederbaum, LS
Alon, OE
Collins, LA
Schneider, BI
AF Brezinova, Iva
Burgdoerfer, Joachim
Lode, Axel U. J.
Streltsov, Alexej I.
Cederbaum, Lorenz S.
Alon, Ofir E.
Collins, Lee A.
Schneider, Barry I.
GP IOP
TI Elastic scattering of a Bose-Einstein condensate at a potential
landscape
SO XXVIII INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC AND ATOMIC
COLLISIONS (ICPEAC)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 28th International Conference on Photonic, Electronic and Atomic
Collisions (ICPEAC)
CY JUL 24-30, 2013
CL Chinese Acad Sci, Inst Modern Phys, Lanzhou, PEOPLES R CHINA
SP Natl Nat Sci Fdn China, Chinese Acad Sci, Int Union Pure & Appl Phys, Inst Modern Phys, Youth Innovat Promot Assoc, Inst Modern Phys
HO Chinese Acad Sci, Inst Modern Phys
ID ANDERSON LOCALIZATION; ULTRACOLD GASES; LATTICES; SYSTEMS; VORTEX; WAVES
AB We investigate the elastic scattering of Bose-Einstein condensates at shallow periodic and disorder potentials. We show that the collective scattering of the macroscopic quantum object couples to internal degrees of freedom of the Bose-Einstein condensate such that the Bose-Einstein condensate gets depleted. As a precursor for the excitation of the Bose-Einstein condensate we observe wave chaos within a mean-field theory.
C1 [Brezinova, Iva; Burgdoerfer, Joachim] Vienna Univ Technol, Inst Theoret Phys, Wiedner Hauptstr 8-10-136, A-1040 Vienna, Austria.
[Lode, Axel U. J.; Streltsov, Alexej I.; Cederbaum, Lorenz S.] Heidelberg Univ, Physikalisch Chem Inst, Theoret Chem, D-69120 Heidelberg, Germany.
[Alon, Ofir E.] Univ Haifa, Dept Phys, IL-36006 Tivon, Israel.
[Collins, Lee A.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Schneider, Barry I.] Natl Sci Fdn, Div Adv Cyberinfrastructure, Arlington, VA 22230 USA.
RP Brezinova, I (reprint author), Vienna Univ Technol, Inst Theoret Phys, Wiedner Hauptstr 8-10-136, A-1040 Vienna, Austria.
EM iva.brezinova@tuwien.ac.at
OI Lode, Axel U. J./0000-0002-8859-1655
FU FWF program "CoQuS"; "ViCoM" [FWF- SFB 041]
FX This work has been supported by the FWF program "CoQuS" and the FWF- SFB
041 "ViCoM ". Calculations have been performed on the Vienna Scientic
Cluster.
NR 33
TC 3
Z9 3
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 488
AR UNSP 012032
DI 10.1088/1742-6596/488/1/012032
PG 10
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA8PG
UT WOS:000338432500032
ER
PT S
AU Meyer, FW
Krstic, PS
Hijazi, H
Bannister, ME
Dadras, J
Parish, CM
Meyer, HM
AF Meyer, F. W.
Krstic, P. S.
Hijazi, H.
Bannister, M. E.
Dadras, J.
Parish, C. M.
Meyer, H. M., III
GP IOP
TI Surface-morphology changes and damage in hot tungsten by impact of 80
eV-12 keV He-ions and keV-energy self-atoms
SO XXVIII INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC AND ATOMIC
COLLISIONS (ICPEAC)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 28th International Conference on Photonic, Electronic and Atomic
Collisions (ICPEAC)
CY JUL 24-30, 2013
CL Chinese Acad Sci, Inst Modern Phys, Lanzhou, PEOPLES R CHINA
SP Natl Nat Sci Fdn China, Chinese Acad Sci, Int Union Pure & Appl Phys, Inst Modern Phys, Youth Innovat Promot Assoc, Inst Modern Phys
HO Chinese Acad Sci, Inst Modern Phys
ID MOLECULAR-DYNAMICS; HELIUM; IRRADIATION
AB We report results of measurements on the evolution of the surface morphology of a hot tungsten surface due to impacting low-energy (80 12,000 eV) He ions, performed at the ORNL Multicharged Ion Research Facility (MIRF). Surface-morphology changes were investigated over a broad range of fluences, energies and temperatures for both virgin and pre-damaged W-targets. At low fluences, ordered coral-like and ridge-like surface structures are observed, with great grain-to-grain variability. At the largest fluences, individual grain characteristics disappear in FIB/SEM scans, and the entire surface is covered by a multitude of near-surface bubbles with a broad range of sizes, and disordered whisker growth, while in topdown SEM imaging the surface is virtually indistinguishable from the nanofuzz produced on linear plasma devices. These features are evident at progressively lower fluences as the He-ion energy is increased. In addition, simulations were carried out of damage caused by cumulative bombardment of 1 keV W self-atoms, using LAMMPS at the Kraken supercomputing facility of the University of Tennessee. The simulations show strong defect-recombination effects that lead to a saturation of the total defect number after a few hundred impacts, while sputtering and implantation lead to an imbalance of the vacancy and interstitial numbers.
C1 [Meyer, F. W.; Hijazi, H.; Bannister, M. E.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.
[Krstic, P. S.; Dadras, J.] Univ Tennessee, Knoxville, TN 37831 USA.
[Krstic, P. S.] TheoretiK, Knoxville, TN 37921 USA.
[Parish, C. M.; Meyer, H. M., III] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
RP Meyer, FW (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.
EM meyerfw@ornl.gov
RI Parish, Chad/J-8381-2013;
OI Parish, Chad/0000-0003-1209-7439
FU LDRD Program of Oak Ridge National Laboratory; Oak Ridge National
Laboratory's Shared Research Equipment; Office of Basic Energy Sciences;
U. S. Department of Energy
FX This research was sponsored by the LDRD Program of Oak Ridge National
Laboratory, managed by UT- Battelle, LLC, for the U. S. Department of
Energy. HH was appointed through the ORNL Postdoctoral Research
Associates Program administered jointly by Oak Ridge Institute of
Science and Education ( ORISE), Oak Ridge Associated Universities (
ORAU) and Oak Ridge National Laboratory ( ORNL). SEM and FIB/ SEM
instruments supported by Oak Ridge National Laboratory's Shared Research
Equipment ( ShaRE) User Program, which is sponsored by the Office of
Basic Energy Sciences, U. S. Department of Energy. PSK and MJD
acknowledge allocation of advanced computing resources provided by the
National Science Foundation. The computations were performed on Kraken
at the National Institute for Computational Sciences.
NR 23
TC 3
Z9 3
U1 1
U2 12
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 488
AR UNSP 012036
DI 10.1088/1742-6596/488/1/012036
PG 8
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA8PG
UT WOS:000338432500036
ER
PT S
AU Muller, A
Schippers, S
Hellhund, J
Kilcoyne, ALD
Phaneuf, RA
Ballance, CP
McLaughlin, BM
AF Mueller, A.
Schippers, S.
Hellhund, J.
Kilcoyne, A. L. D.
Phaneuf, R. A.
Ballance, C. P.
McLaughlin, B. M.
GP IOP
TI Single and multiple photoionization of Wq+ tungsten ions in charge
states q=1,2,...,5: experiment and theory
SO XXVIII INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC AND ATOMIC
COLLISIONS (ICPEAC)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 28th International Conference on Photonic, Electronic and Atomic
Collisions (ICPEAC)
CY JUL 24-30, 2013
CL Chinese Acad Sci, Inst Modern Phys, Lanzhou, PEOPLES R CHINA
SP Natl Nat Sci Fdn China, Chinese Acad Sci, Int Union Pure & Appl Phys, Inst Modern Phys, Youth Innovat Promot Assoc, Inst Modern Phys
HO Chinese Acad Sci, Inst Modern Phys
AB Absoute cross sections for single and multiple photoioruzation of Wq+ ions have been measured in a photon-ion merged beam setup employing synchrotron radiation from the Advanced Light Source. The experimental data are compared to large-scale close-coupling calculations within the Dirac-Coulomb R-matrix (DARC) approxirnaflon.
C1 [Mueller, A.; Schippers, S.; Hellhund, J.] Univ Giessen, Inst Atom & Mol Phys, D-35392 Giessen, Germany.
[Kilcoyne, A. L. D.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Phaneuf, R. A.] Univ Nevada, Dept Phys, Reno, NV 89557 USA.
[Ballance, C. P.] Auburn Univ, Phys Dept, Auburn, AL 36849 USA.
[McLaughlin, B. M.] Inst Theoret Atom & Mol Phys, Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA.
[McLaughlin, B. M.] Queens Univ Belfast, Ctr Theoret Atom, Mol & Optic Phys, Belfast BT7 1NN, Antrim, North Ireland.
RP Muller, A (reprint author), Univ Giessen, Inst Atom & Mol Phys, D-35392 Giessen, Germany.
EM Alfred.Mueller@iamp.physik.uni-giessen.de
RI Muller, Alfred/A-3548-2009; Kilcoyne, David/I-1465-2013; Schippers,
Stefan/A-7786-2008
OI Muller, Alfred/0000-0002-0030-6929; Schippers,
Stefan/0000-0002-6166-7138
NR 4
TC 5
Z9 5
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 2014
VL 488
AR UNSP 022032
DI 10.1088/1742-6596/488/2/022032
PG 1
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA8PG
UT WOS:000338432500091
ER
PT S
AU Schoffler, MS
Jahnke, T
Waitz, M
Trinter, F
Lenz, U
Stuck, C
Jones, M
Pindzola, MS
Belkacem, A
Cocke, CL
Landers, A
Colgan, J
Kheifets, A
Bray, I
Schmidt-Bocking, H
Dorner, R
Weber, T
AF Schoeffler, M. S.
Jahnke, T.
Waitz, M.
Trinter, F.
Lenz, U.
Stuck, C.
Jones, M.
Pindzola, M. S.
Belkacem, A.
Cocke, C. L.
Landers, A.
Colgan, J.
Kheifets, A.
Bray, I.
Schmidt-Boecking, H.
Doerner, R.
Weber, Th
GP IOP
TI Single photon double ionization of Helium at 800 eV - observation of the
Quasi Free Mechanism
SO XXVIII INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC AND ATOMIC
COLLISIONS (ICPEAC)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 28th International Conference on Photonic, Electronic and Atomic
Collisions (ICPEAC)
CY JUL 24-30, 2013
CL Chinese Acad Sci, Inst Modern Phys, Lanzhou, PEOPLES R CHINA
SP Natl Nat Sci Fdn China, Chinese Acad Sci, Int Union Pure & Appl Phys, Inst Modern Phys, Youth Innovat Promot Assoc, Inst Modern Phys
HO Chinese Acad Sci, Inst Modern Phys
AB In a kinematically complete experiment we have measured the photo double ionization of Helium at a photon energy of 800 eV and observed He2+ ions with 0 momentum, corresponding to a back-to-back-emission of the two electrons. The results are in good agreement with theoretical calculations.
C1 [Schoeffler, M. S.; Belkacem, A.; Weber, Th] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Schoeffler, M. S.; Jahnke, T.; Waitz, M.; Trinter, F.; Lenz, U.; Stuck, C.] Goethe Univ Frankfurt, Inst Kernphysik, Frankfurt, Germany.
[Jones, M.; Pindzola, M. S.; Landers, A.] Auburn Univ, Auburn, AL 36849 USA.
[Belkacem, A.; Colgan, J.] Kansas State Univ, Manhattan, KS 66506 USA.
[Weber, Th] Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Kheifets, A.] Australian Natl Univ, Canberra, ACT 0200, Australia.
[Bray, I.] Curtin Univ, Perth, WA 6845, Australia.
RP Schoffler, MS (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM schoeffler@atom.uni-frankfurt.de
RI Schoeffler, Markus/B-6261-2008;
OI Schoeffler, Markus/0000-0001-9214-6848; Colgan,
James/0000-0003-1045-3858
NR 4
TC 0
Z9 0
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 2014
VL 488
AR UNSP 022007
DI 10.1088/1742-6596/488/2/022007
PG 1
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA8PG
UT WOS:000338432500066
ER
PT S
AU Schuricke, M
Dornes, C
Armstrong, G
Colgan, J
Kheifets, A
Ullrich, J
Dorn, A
AF Schuricke, Michael
Dornes, Christian
Armstrong, Gregory
Colgan, James
Kheifets, Anatoli
Ullrich, Joachim
Dorn, Alexander
GP IOP
TI Two and three-photon double ionization of lithium
SO XXVIII INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC AND ATOMIC
COLLISIONS (ICPEAC)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 28th International Conference on Photonic, Electronic and Atomic
Collisions (ICPEAC)
CY JUL 24-30, 2013
CL Chinese Acad Sci, Inst Modern Phys, Lanzhou, PEOPLES R CHINA
SP Natl Nat Sci Fdn China, Chinese Acad Sci, Int Union Pure & Appl Phys, Inst Modern Phys, Youth Innovat Promot Assoc, Inst Modern Phys
HO Chinese Acad Sci, Inst Modern Phys
AB Differential studies on two and three-photon double ionization (DI) of atomic lithium have been performed for photon energies of 50 eV and 59 eV at I approximate to 5 x 10(13) W/cm(2). At 50 eV DI proceeds via the simultaneous absorption of two photons resulting in the correlated emission of two electrons. In contrast for a photon energy of 59 eV, the resonant one photon transition (1s -> 2p) is followed by DI through a second photon. Additionally a competing sequential three photon reaction is observed for both energies. The experimental data is compared with results from non-perturbative close-coupling calculations.
C1 [Schuricke, Michael; Dornes, Christian; Ullrich, Joachim; Dorn, Alexander] Max Planck Inst Nucl Phys, Saupfercheckweg 1, D-69117 Heidelberg, Germany.
[Armstrong, Gregory; Colgan, James] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Kheifets, Anatoli] Australian Natl Univ, Res Sch Phys & Engn, Canberra, ACT, Australia.
[Ullrich, Joachim] Physikalisch Technisch Bundesanstalt, D-38116 Braunschweig, Germany.
RP Schuricke, M (reprint author), Max Planck Inst Nucl Phys, Saupfercheckweg 1, D-69117 Heidelberg, Germany.
EM m.schuricke@mpi-hd.mpg.de; dornalex@mpi-hd.mpg.de
OI Colgan, James/0000-0003-1045-3858
NR 4
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 2014
VL 488
AR UNSP 032032
DI 10.1088/1742-6596/488/3/032032
PG 1
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA8PG
UT WOS:000338432500138
ER
PT S
AU Tong, XM
Ranitovic, P
Hickstein, DD
Murnane, MM
Kapteyn, HC
Toshima, N
AF Tong, X. M.
Ranitovic, P.
Hickstein, D. D.
Murnane, M. M.
Kapteyn, H. C.
Toshima, N.
GP IOP
TI Mechanisms on the Photoelectron Angular Distributions of Atoms Ionized
in Mid-Infrared Laser Fields
SO XXVIII INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC AND ATOMIC
COLLISIONS (ICPEAC)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 28th International Conference on Photonic, Electronic and Atomic
Collisions (ICPEAC)
CY JUL 24-30, 2013
CL Chinese Acad Sci, Inst Modern Phys, Lanzhou, PEOPLES R CHINA
SP Natl Nat Sci Fdn China, Chinese Acad Sci, Int Union Pure & Appl Phys, Inst Modern Phys, Youth Innovat Promot Assoc, Inst Modern Phys
HO Chinese Acad Sci, Inst Modern Phys
AB By solving the time-dependent Schrodinger equation, we show conclusively that low energy/momenta structure in the photoelectron angular distribution originates from multiple scatterings of the tunnel-ionized electron with the ion. We also show that two conditions must be satisfied simultaneously in order to observe prominent low-energy features. First, multiple scattering of the tunnel-ionized electron wave packet is necessary. Second, tunnel ionization must dominate over multiphoton ionization. While the first condition is generally satisfied for all laser wavelengths, the second condition is satisfied only for longer laser wavelengths.
C1 [Tong, X. M.; Toshima, N.] Univ Tsukuba, Div Mat Sci, 1-1-1 Tennodai, Tsukuba, Ibaraki 3058577, Japan.
[Ranitovic, P.; Hickstein, D. D.; Murnane, M. M.; Kapteyn, H. C.] Univ Colorado, JILA, Boulder, CO 80309 USA.
[Ranitovic, P.; Hickstein, D. D.; Murnane, M. M.; Kapteyn, H. C.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA.
[Ranitovic, P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Tong, XM (reprint author), Univ Tsukuba, Div Mat Sci, 1-1-1 Tennodai, Tsukuba, Ibaraki 3058577, Japan.
EM tong@ims.tsukuba.ac.jp
RI Tong, Xiao-Min/A-2748-2011
OI Tong, Xiao-Min/0000-0003-4898-3491
NR 2
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 2014
VL 488
AR UNSP 032040
DI 10.1088/1742-6596/488/3/032040
PG 1
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA8PG
UT WOS:000338432500146
ER
PT S
AU Voigtsberger, J
Becht, J
Neumann, N
Sturm, F
Kunitski, M
Kalinin, A
Wu, J
Zeller, S
Schoffler, M
Schollkopf, W
Bressanini, D
Czasch, A
Schmidt, LPH
Grisenti, R
Jahnke, T
Dorner, R
AF Voigtsberger, J.
Becht, J.
Neumann, N.
Sturm, F.
Kunitski, M.
Kalinin, A.
Wu, J.
Zeller, S.
Schoeffler, M.
Schoellkopf, W.
Bressanini, D.
Czasch, A.
Schmidt, L. Ph. H.
Grisenti, R.
Jahnke, T.
Doerner, R.
GP IOP
TI Experimental observation of the vibrational wavefunction of He-4(2),
He-4(3) and (He2He)-He-4-He-3 using strong laser-fields
SO XXVIII INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC AND ATOMIC
COLLISIONS (ICPEAC)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 28th International Conference on Photonic, Electronic and Atomic
Collisions (ICPEAC)
CY JUL 24-30, 2013
CL Chinese Acad Sci, Inst Modern Phys, Lanzhou, PEOPLES R CHINA
SP Natl Nat Sci Fdn China, Chinese Acad Sci, Int Union Pure & Appl Phys, Inst Modern Phys, Youth Innovat Promot Assoc, Inst Modern Phys
HO Chinese Acad Sci, Inst Modern Phys
ID HELIUM
AB Helium gas is being expanded through a pre-cooled 5 jam nozzle in a supersonic gas jet at low temperatures. Containing small clusters this gas jet passes a transmission diffraction grating, separating clusters of different masses. This mass selected cluster beam is ionized using a Ti:Sa Laser. The Coulomb exploding ionic fragments are measured with the COLTRIMS technique, giving direct access to the square of the vibrational wavefunction of of He-4(2), He-4(3) and (He2He)-He-4-He-3.
C1 [Voigtsberger, J.; Becht, J.; Neumann, N.; Sturm, F.; Kunitski, M.; Kalinin, A.; Wu, J.; Zeller, S.; Schoeffler, M.; Czasch, A.; Schmidt, L. Ph. H.; Grisenti, R.; Jahnke, T.; Doerner, R.] Goethe Univ Frankfurt, Inst Kernphys, Frankfurt, Germany.
[Sturm, F.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA USA.
[Wu, J.] East China Normal Univ, Shanghai, Peoples R China.
[Schoellkopf, W.] Fritz Haber Inst Max Planck Gesellschaft, Dep Mol Phys, Atom & Mol Optic, Berlin, Germany.
[Bressanini, D.] Univ Insubria Italy, Dept Chem & Environm Sci, Corno, Italy.
RP Voigtsberger, J (reprint author), Goethe Univ Frankfurt, Inst Kernphys, Frankfurt, Germany.
EM voigtsberger@atom.uni-frankfurt.de
RI Schoeffler, Markus/B-6261-2008;
OI Schoeffler, Markus/0000-0001-9214-6848; Schollkopf,
Wieland/0000-0003-0564-203X
NR 6
TC 0
Z9 0
U1 0
U2 8
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 488
AR UNSP 132024
DI 10.1088/1742-6596/488/13/132024
PG 1
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA8PG
UT WOS:000338432500347
ER
PT S
AU Williams, JB
Trevisan, C
Schoeffler, MS
Jahnke, T
Bocharova, I
Sturm, F
McCurdy, CW
Belkacem, A
Doerner, R
Weber, T
Landers, AL
AF Williams, J. B.
Trevisan, C.
Schoeffler, M. S.
Jahnke, T.
Bocharova, I.
Sturm, F.
McCurdy, C. W.
Belkacem, A.
Doerner, R.
Weber, Th.
Landers, A. L.
GP IOP
TI Dissociation Dynamics and Molecular Imaging of Methane following
Photoionization at the Carbon K-Edge
SO XXVIII INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC AND ATOMIC
COLLISIONS (ICPEAC)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 28th International Conference on Photonic, Electronic and Atomic
Collisions (ICPEAC)
CY JUL 24-30, 2013
CL Chinese Acad Sci, Inst Modern Phys, Lanzhou, PEOPLES R CHINA
SP Natl Nat Sci Fdn China, Chinese Acad Sci, Int Union Pure & Appl Phys, Inst Modern Phys, Youth Innovat Promot Assoc, Inst Modern Phys
HO Chinese Acad Sci, Inst Modern Phys
AB We have used Cold Target Recoil Ion Momentum Spectroscopy (COLTRIMS) to measure the momenta of the photoelectron and the molecular fragments arising from the dissociation of methane following core photoionization and subsequent Auger decay.
C1 [Williams, J. B.; Schoeffler, M. S.; Jahnke, T.; Sturm, F.; Doerner, R.] Goethe Univ Frankfurt, D-60438 Frankfurt, Germany.
[Trevisan, C.] Calif Maritime Acad, Vallejo, CA 94590 USA.
[Bocharova, I.; McCurdy, C. W.; Belkacem, A.; Weber, Th.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Landers, A. L.] Auburn Univ, Auburn, AL 36849 USA.
RP Williams, JB (reprint author), Goethe Univ Frankfurt, D-60438 Frankfurt, Germany.
NR 2
TC 0
Z9 0
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 2014
VL 488
AR UNSP 022016
DI 10.1088/1742-6596/488/2/022016
PG 1
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA8PG
UT WOS:000338432500075
ER
PT S
AU Zhang, X
Eyles, CJ
Taatjes, CA
Ding, DJ
Stolte, S
AF Zhang, Xia
Eyles, Chris J.
Taatjes, Craig A.
Ding, Dajun
Stolte, Steven
GP IOP
TI Quasi-Quantum Treatment of the rotationally inelastic NO-He scattering
SO XXVIII INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC AND ATOMIC
COLLISIONS (ICPEAC)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 28th International Conference on Photonic, Electronic and Atomic
Collisions (ICPEAC)
CY JUL 24-30, 2013
CL Chinese Acad Sci, Inst Modern Phys, Lanzhou, PEOPLES R CHINA
SP Natl Nat Sci Fdn China, Chinese Acad Sci, Int Union Pure & Appl Phys, Inst Modern Phys, Youth Innovat Promot Assoc, Inst Modern Phys
HO Chinese Acad Sci, Inst Modern Phys
AB An analytical sealing relationship is presented that describes the collision energy dependence of rotationally inelastic differential cross sections and allows separation of kinematic and potential-energy effects.
C1 [Zhang, Xia; Ding, Dajun; Stolte, Steven] Jilin Univ, Inst Atom & Mol Phys, Changchun 130012, Peoples R China.
[Eyles, Chris J.] Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany.
[Taatjes, Craig A.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
[Stolte, Steven] Vrije Univ Amsterdam, Fac Exact Sci, Ctr Laser, NL-1081 HV Amsterdam, Netherlands.
[Stolte, Steven] CEA Saclay, DRECEM SPAM, Lab Francis Perrin, F-91191 Gif Sur Yvette, France.
RP Zhang, X (reprint author), Jilin Univ, Inst Atom & Mol Phys, Changchun 130012, Peoples R China.
EM dajund@jlu.edu.cn; s.stolte@vu.nl
NR 1
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 2014
VL 488
AR UNSP 102026
DI 10.1088/1742-6596/488/10/102026
PG 1
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA8PG
UT WOS:000338432500307
ER
PT J
AU Vicca, S
Bahn, M
Estiarte, M
van Loon, EE
Vargas, R
Alberti, G
Ambus, P
Arain, MA
Beier, C
Bentley, LP
Borken, W
Buchmann, N
Collins, SL
de Dato, G
Dukes, JS
Escolar, C
Fay, P
Guidolotti, G
Hanson, PJ
Kahmen, A
Kroel-Dulay, G
Ladreiter-Knauss, T
Larsen, KS
Lellei-Kovacs, E
Lebrija-Trejos, E
Maestre, FT
Marhan, S
Marshall, M
Meir, P
Miao, Y
Muhr, J
Niklaus, PA
Ogaya, R
Penuelas, J
Poll, C
Rustad, LE
Savage, K
Schindlbacher, A
Schmidt, IK
Smith, AR
Sotta, ED
Suseela, V
Tietema, A
van Gestel, N
van Straaten, O
Wan, S
Weber, U
Janssens, IA
AF Vicca, S.
Bahn, M.
Estiarte, M.
van Loon, E. E.
Vargas, R.
Alberti, G.
Ambus, P.
Arain, M. A.
Beier, C.
Bentley, L. P.
Borken, W.
Buchmann, N.
Collins, S. L.
de Dato, G.
Dukes, J. S.
Escolar, C.
Fay, P.
Guidolotti, G.
Hanson, P. J.
Kahmen, A.
Kroeel-Dulay, G.
Ladreiter-Knauss, T.
Larsen, K. S.
Lellei-Kovacs, E.
Lebrija-Trejos, E.
Maestre, F. T.
Marhan, S.
Marshall, M.
Meir, P.
Miao, Y.
Muhr, J.
Niklaus, P. A.
Ogaya, R.
Penuelas, J.
Poll, C.
Rustad, L. E.
Savage, K.
Schindlbacher, A.
Schmidt, I. K.
Smith, A. R.
Sotta, E. D.
Suseela, V.
Tietema, A.
van Gestel, N.
van Straaten, O.
Wan, S.
Weber, U.
Janssens, I. A.
TI Can current moisture responses predict soil CO2 efflux under altered
precipitation regimes? A synthesis of manipulation experiments (vol 11,
pg 2991, 2014)
SO BIOGEOSCIENCES
LA English
DT Correction
C1 [Vicca, S.; Janssens, I. A.] Univ Antwerp, Dept Biol, Res Grp Plant & Vegetat Ecol, B-2610 Antwerp, Belgium.
[Bahn, M.; Ladreiter-Knauss, T.] Univ Innsbruck, Inst Ecol, A-6020 Innsbruck, Austria.
[Estiarte, M.; Ogaya, R.; Penuelas, J.] CREAF CEAB UAB, Global Ecol Unit, CSIC, Cerdanyola Del Valles 08913, Catalonia, Spain.
[Estiarte, M.; Ogaya, R.; Penuelas, J.] CREAF, Cerdanyola Del Valles 08913, Catalonia, Spain.
[van Loon, E. E.; Tietema, A.] Univ Amsterdam, Inst Biodivers & Ecosyst Dynam, NL-1012 WX Amsterdam, Netherlands.
[Vargas, R.] Univ Delaware, Dept Plant & Soil Sci, Delaware Environm Inst, Newark, DE 19717 USA.
[Alberti, G.] Univ Udine, I-33100 Udine, Italy.
[Alberti, G.] European Forest Inst, MOUNTFOR Project Ctr, San Michele All Adige, Trento, Italy.
[Ambus, P.; Beier, C.; Larsen, K. S.] Tech Univ Denmark, Dept Chem & Biochem Engn, DK-2800 Lyngby, Denmark.
[Arain, M. A.] McMaster Univ, McMaster Ctr Climate Change, Hamilton, ON, Canada.
[Arain, M. A.] McMaster Univ, Sch Geog & Earth Sci, Hamilton, ON, Canada.
[Beier, C.] NIVA Norwegian Inst Water Res, N-0349 Oslo, Norway.
[Bentley, L. P.] Texas Tech Univ, Dept Biol Sci, Lubbock, TX 79409 USA.
[Borken, W.] Univ Bayreuth, D-95448 Bayreuth, Germany.
[Buchmann, N.] ETH, Dept Environm Syst Sci, Zurich, Switzerland.
[Collins, S. L.] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA.
[de Dato, G.; Guidolotti, G.] Univ Tuscia, Dept Innovat Biol Agrofood & Forest Syst, Viterbo, Italy.
[Dukes, J. S.; Suseela, V.] Purdue Univ, Dept Forestry & Nat Resources, W Lafayette, IN 47907 USA.
[Dukes, J. S.] Univ Massachusetts, Dept Biol, Boston, MA 02125 USA.
[Dukes, J. S.] Purdue Univ, Dept Biol Sci, W Lafayette, IN 47907 USA.
[Escolar, C.; Maestre, F. T.] Univ Rey Juan Carlos, Escuela Super Ciencias Expt & Tecnol, Dept Biol & Geol, Area Biodiversidad & Conservac, Mostoles 28933, Spain.
[Fay, P.] USDA ARS, Grassland Soil & Water Res Lab, Temple, TX 76502 USA.
[Hanson, P. J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Kahmen, A.] ETH, Inst Agr Sci, CH-8092 Zurich, Switzerland.
[Kroeel-Dulay, G.; Lellei-Kovacs, E.] MTA Ctr Ecol Res, H-2163 Vacratot, Hungary.
[Lebrija-Trejos, E.] Tel Aviv Univ, Dept Mol Biol & Ecol Plants, IL-69978 Tel Aviv, Israel.
[Marhan, S.] Univ Hohenheim, Inst Soil Sci & Land Evaluat, D-70599 Stuttgart, Germany.
[Marshall, M.; Smith, A. R.] Environm Ctr Wales, Ctr Ecol & Hydrol, Bangor LL57 2UW, Gwynedd, Wales.
[Meir, P.] Univ Edinburgh, Sch Geosci, Edinburgh, Midlothian, Scotland.
[Meir, P.] Australian Natl Univ, Res Sch Biol, Canberra, ACT, Australia.
[Miao, Y.; Wan, S.] Henan Univ, Coll Life Sci, State Key Lab Cotton Biol, Kaifeng 475004, Henan, Peoples R China.
[Muhr, J.] Max Planck Inst Biogeochem, Dept Biogeochem Proc, D-07701 Jena, Germany.
[Niklaus, P. A.] Univ Zurich, Inst Evolutionary Biol & Environm Studies, CH-8057 Zurich, Switzerland.
[Rustad, L. E.] USFS Northern Res Stn, Durham, NH 03824 USA.
[Savage, K.] Woods Hole Res Ctr, Falmouth, MA 02540 USA.
[Schindlbacher, A.] Fed Res & Training Ctr Forests Nat Hazards & Land, Dept Forest Ecol, A-1131 Vienna, Austria.
[Schmidt, I. K.] Univ Copenhagen, Dept Geosci & Nat Resource Management, DK-1168 Copenhagen, Denmark.
[Smith, A. R.] Bangor Univ, Sch Environm Nat Resources & Geog, Bangor LL57 2UW, Gwynedd, Wales.
[Sotta, E. D.] Embrapa Amapa, BR-68906970 Macapa, AP, Brazil.
[Suseela, V.] Clemson Univ, Sch Agr Forest & Environm Sci, Clemson, SC 29634 USA.
[van Gestel, N.] Texas Tech Univ, Dept Biol Sci, Lubbock, TX 79409 USA.
[van Straaten, O.] Univ Gottingen, Buesgen Inst Soil Sci Trop & Subtrop Ecosyst, D-37077 Gottingen, Germany.
[Weber, U.] Max Planck Inst Biogeochem, Dept Biogeochem Integrat BGI, D-07745 Jena, Germany.
RP Vicca, S (reprint author), Univ Antwerp, Dept Biol, Res Grp Plant & Vegetat Ecol, Univ Pl 1, B-2610 Antwerp, Belgium.
EM sara.vicca@uantwerpen.be
RI Collins, Scott/P-7742-2014; Vargas, Rodrigo/C-4720-2008; Janssens,
Ivan/P-1331-2014; Maestre, Fernando/A-6825-2008; Ambus, Per/B-2514-2015;
Penuelas, Josep/D-9704-2011; Estiarte, Marc/G-2001-2016; Dukes,
Jeffrey/C-9765-2009; Wan, Shiqiang/B-5799-2009; Bahn,
Michael/I-3536-2013; Larsen, Klaus/C-7549-2015; Schmidt, Inger
/A-6230-2015; Hanson, Paul J./D-8069-2011; de Dato,
Giovanbattista/F-9693-2014; Beier, Claus/C-1789-2016; Vicca,
Sara/I-3637-2012
OI Collins, Scott/0000-0002-0193-2892; Vargas, Rodrigo/0000-0001-6829-5333;
Janssens, Ivan/0000-0002-5705-1787; Fay, Philip/0000-0002-8291-6316;
Maestre, Fernando/0000-0002-7434-4856; Ambus, Per/0000-0001-7580-524X;
Penuelas, Josep/0000-0002-7215-0150; Estiarte, Marc/0000-0003-1176-8480;
Dukes, Jeffrey/0000-0001-9482-7743; Bahn, Michael/0000-0001-7482-9776;
Larsen, Klaus/0000-0002-1421-6182; Schmidt, Inger /0000-0003-3880-2060;
Hanson, Paul J./0000-0001-7293-3561; de Dato,
Giovanbattista/0000-0003-0289-1727; Beier, Claus/0000-0003-0348-7179;
Vicca, Sara/0000-0001-9812-5837
NR 1
TC 0
Z9 0
U1 5
U2 42
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
EI 1726-4189
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2014
VL 11
IS 12
BP 3307
EP 3308
DI 10.5194/bg-11-3307-2014
PG 2
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA AK9QH
UT WOS:000338761200014
ER
PT J
AU Hungate, BA
Duval, BD
Dijkstra, P
Johnson, DW
Ketterer, ME
Stiling, P
Cheng, W
Millman, J
Hartley, A
Stover, DB
AF Hungate, B. A.
Duval, B. D.
Dijkstra, P.
Johnson, D. W.
Ketterer, M. E.
Stiling, P.
Cheng, W.
Millman, J.
Hartley, A.
Stover, D. B.
TI Nitrogen inputs and losses in response to chronic CO2 exposure in a
subtropical oak woodland
SO BIOGEOSCIENCES
LA English
DT Article
ID ELEVATED ATMOSPHERIC CO2; FLORIDA SCRUB-OAK; SYMBIOTIC N-2 FIXATION;
CARBON-DIOXIDE CONCENTRATION; SOIL CARBON; LEAF ABSCISSION; TERRESTRIAL
ECOSYSTEMS; GRASSLAND ECOSYSTEMS; ABOVEGROUND BIOMASS; DINITROGEN
FIXATION
AB Rising atmospheric CO2 concentrations may alter the nitrogen (N) content of ecosystems by changing N inputs and N losses, but responses vary in field experiments, possibly because multiple mechanisms are at play. We measured N fixation and N losses in a subtropical oak woodland exposed to 11 years of elevated atmospheric CO2 concentrations. We also explored the role of herbivory, carbon limitation, and competition for light or nutrients in shaping the response of N fixation to elevated CO2. Elevated CO2 did not significantly alter gaseous N losses, but lower recovery and deeper distribution in the soil of a long-term N-15 tracer indicated that elevated CO2 increased leaching losses. Elevated CO2 had no effect on nonsymbiotic N fixation, and had a transient effect on symbiotic N fixation by the dominant legume. Elevated CO2 tended to reduce soil and plant concentrations of iron, molybdenum, phosphorus, and vanadium, nutrients essential for N fixation. Competition for nutrients and herbivory likely contributed to the declining response of N fixation to elevated CO2. These results indicate that positive responses of N fixation to elevated CO2 may be transient and that chronic exposure to elevated CO2 can increase N leaching. Models that assume increased fixation or reduced N losses with elevated CO2 may overestimate future N accumulation in the biosphere.
C1 [Hungate, B. A.; Duval, B. D.; Dijkstra, P.] No Arizona Univ, Dept Biol Sci, Flagstaff, AZ 86011 USA.
[Hungate, B. A.; Duval, B. D.; Dijkstra, P.] No Arizona Univ, Ctr Ecosyst Sci Soc, Flagstaff, AZ 86011 USA.
[Johnson, D. W.] Univ Nevada, Dept Environm & Resource Sci, Reno, NV 89557 USA.
[Ketterer, M. E.] No Arizona Univ, Dept Chem & Biochem, Flagstaff, AZ 86011 USA.
[Stiling, P.] Univ S Florida, Dept Biol, Tampa, FL 33620 USA.
[Duval, B. D.] USDA ARS, US Dairy Forage Res Ctr, Madison, WI 53706 USA.
[Cheng, W.] Yamagata Univ, Fac Agr, Tsuruoka, Yamagata 9978555, Japan.
[Hartley, A.] Florida Gulf Coast Univ, Dept Marine & Ecol Sci, Ft Myers, FL 33965 USA.
[Stover, D. B.] US DOE, Dept Energy, Off Biol & Environm Res, Washington, DC 20585 USA.
RP Hungate, BA (reprint author), No Arizona Univ, Dept Biol Sci, Box 5640, Flagstaff, AZ 86011 USA.
EM bruce.hungate@nau.edu
FU US Department of Energy [DE-FG-02-95ER61993, DE-SC0008260]; US National
Science Foundation [DEB-9873715, DEB-0092642, DEB-0445324]; US National
Science Foundation (NSF IGERT fellowship); Arizona Technology Research
and Innovation Fund
FX Funding for this long-term experiment was provided by the US Department
of Energy (DE-FG-02-95ER61993, and DE-SC0008260) and the US National
Science Foundation (DEB-9873715, DEB-0092642, and DEB-0445324, and an
NSF IGERT fellowship to B. D. Duval), with technical and infrastructure
support from the National Aeronautics and Space Administration and the
Kennedy Space Center. The Thermo X Series 2 quadrupole ICPMS at NAU was
supported through funds from the Arizona Technology Research and
Innovation Fund (to M. E. Ketterer). We thank Bert Drake for the vision
to establish and oversee the experiment, and David Johnson, Tom Powell,
Troy Seiler and Hans Anderson for their commitment to its upkeep and
success.
NR 115
TC 3
Z9 3
U1 5
U2 29
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
EI 1726-4189
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2014
VL 11
IS 12
BP 3323
EP 3337
DI 10.5194/bg-11-3323-2014
PG 15
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA AK9QH
UT WOS:000338761200016
ER
PT J
AU Taguchi, T
Stone, KL
Gupta, R
Kaiser-Lassalle, B
Yano, J
Hendrich, MP
Borovik, AS
AF Taguchi, Taketo
Stone, Kari L.
Gupta, Rupal
Kaiser-Lassalle, Benedikt
Yano, Junko
Hendrich, Michael P.
Borovik, A. S.
TI Preparation and properties of an Mn-IV-hydroxide complex: proton and
electron transfer at a mononuclear manganese site and its relationship
to the oxygen evolving complex within photosystem II
SO CHEMICAL SCIENCE
LA English
DT Article
ID HYDROGEN-ATOM ABSTRACTION; WATER OXIDATION CHEMISTRY; METAL-OXO
COMPLEXES; O BOND FORMATION; DIOXYGEN FORMATION; CRYSTAL-STRUCTURE; EPR
SPECTROSCOPY; REACTIVITY; RESOLUTION; EPOXIDATION
AB Photosynthetic water oxidation is catalyzed by a Mn4O5Ca cluster with an unprecedented arrangement of metal ions in which a single manganese center is bonded to a distorted Mn3O4Ca cubane-like structure. Several mechanistic proposals describe the unique manganese center as a site for water binding and subsequent formation of a high valent Mn-oxo center that reacts with a M-OH unit (M = Mn or Ca-II) to form the O-O bond. The conversion of low valent Mn-OHn (n = 1, 2) to a Mn-oxo species requires that a single manganese site be able to accommodate several oxidation states as the water ligand is deprotonated. To study these processes, the preparation and characterization of a new monomeric Mn-IV-OH complex is described. The Mn-IV-OH complex completes a series of well characterized Mn-OH and Mn-oxo complexes containing the same primary and secondary coordination spheres; this work thus demonstrates that a single ligand can support mononuclear Mn complexes spanning four different oxidation states (II through V) with oxo and hydroxo ligands that are derived from water. Moreover, we have completed a thermodynamic analysis based on this series of manganese complexes to predict the formation of high valent Mn-oxo species; we demonstrated that the conversion of a Mn-IV-OH species to a Mn-V-oxo complex would likely occur via a stepwise proton transfer-electron transfer mechanism. The large dissociation energy for the (MnO)-O-IV-H bond (similar to 95 kcal mol(-1)) diminished the likelihood that other pathways are operative within a biological context. Furthermore, these studies showed that reactions between Mn-OH and Mn-oxo complexes lead to non-productive, one-electron processes suggesting that initial O-O bond formation with the OEC does not involve an Mn-OH unit.
C1 [Taguchi, Taketo; Borovik, A. S.] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA.
[Stone, Kari L.] Benedictine Univ, Dept Chem, Lisle, IL 60532 USA.
[Gupta, Rupal; Hendrich, Michael P.] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA.
[Kaiser-Lassalle, Benedikt; Yano, Junko] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
RP Yano, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
EM kstone@ben.edu; jyano@lbl.gov; hendrich@andrew.cmu.edu; aborovik@uci.edu
FU NIH [GM50781, GM49970]; Office of Science, Basic Energy Sciences (BES),
Division of Chemical Sciences, Geosciences and Biosciences, Department
of Energy [DE-AC02-05CH11231]; DOE Office of Biological and
Environmental Research; National Institutes of Health; National Center
for Research Resources; Biomedical Technology Program [P411RR001209]
FX Acknowledgment is made to the NIH (GM50781 to ASB and GM49970 to MPH)
and the Office of Science, Basic Energy Sciences (BES), Division of
Chemical Sciences, Geosciences and Biosciences, Department of Energy
under Contract no. DE-AC02-05CH11231 (JY) for financial support.
Portions of this research were carried out at Stanford Synchrotron
Radiation Lightsource (SSRL) BL 7-3. The SSRL Structural Molecular
Biology Program is supported by the DOE Office of Biological and
Environmental Research, and by the National Institutes of Health,
National Center for Research Resources, Biomedical Technology Program
(P411RR001209).
NR 71
TC 9
Z9 9
U1 2
U2 44
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 2014
VL 5
IS 8
BP 3064
EP 3071
DI 10.1039/c4sc00453a
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA AK8BT
UT WOS:000338652900015
PM 25580212
ER
PT J
AU Kauffman, DR
Alfonso, D
Matranga, C
Ohodnicki, P
Deng, XY
Siva, RC
Zeng, CJ
Jin, RC
AF Kauffman, Douglas R.
Alfonso, Dominic
Matranga, Christopher
Ohodnicki, Paul
Deng, Xingyi
Siva, Rajan C.
Zeng, Chenjie
Jin, Rongchao
TI Probing active site chemistry with differently charged Au-25(q)
nanoclusters (q = -1, 0, +1)
SO CHEMICAL SCIENCE
LA English
DT Article
ID OXYGEN REDUCTION REACTION; DENSITY-FUNCTIONAL THEORY; GOLD NANOCLUSTERS;
PROTECTED AU-25; ELECTROCHEMICAL REDUCTION; CO OXIDATION;
ELECTROCATALYTIC ACTIVITY; OPTICAL-PROPERTIES; CRYSTAL-STRUCTURE; AU
NANOPARTICLES
AB Charged active sites are hypothesized to participate in heterogeneously-catalyzed reactions. For example, Au delta+ species at the catalyst surface or catalyst-support interface are thought to promote the thermally-driven CO oxidation reaction. However, the concept of charged active sites is rarely extended to electrochemical systems. We used atomically precise Au-25(q) nanoclusters with different ground state charges (q = -1, 0, +1) to study the role of charged active sites in Au-catalyzed electrochemical reactions. Au-25(q) clusters showed charge state-dependent electrocatalytic activity for CO2 reduction, CO oxidation and O-2 reduction reactions in aqueous media. Experimental studies and density functional theory identified a relationship between the Au-25(q) charge state, the stability of adsorbed reactants or products, and the catalytic reaction rate. Anionic Au-25(-) promoted CO2 reduction by stabilizing coadsorbed CO2 and H+ reactants. Cationic Au-25(+) promoted CO oxidation by stabilizing coadsorbed CO and OH- reactants. Finally, stronger product adsorption at Au-25(+) inhibited O-2 reduction rates. The participation of H+ and OH- in numerous aqueous electrocatalytic reactions likely extends the concept of charge state-mediated reactivity to a wide range of applications, including fuel cells, water splitting, batteries, and sensors. Au-25(q) clusters have also shown photocatalytic and more traditional thermocatalytic activity, and the concept of charge state-mediated reactivity may create new opportunities for tuning reactant, intermediate and product interactions in catalytic systems extending beyond the field of electrochemistry.
C1 [Kauffman, Douglas R.; Alfonso, Dominic; Matranga, Christopher; Ohodnicki, Paul; Deng, Xingyi; Siva, Rajan C.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[Deng, Xingyi] URS, Pittsburgh, PA 15219 USA.
[Zeng, Chenjie; Jin, Rongchao] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA.
RP Kauffman, DR (reprint author), US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
EM Douglas.Kauffman@NETL.DOE.GOV
RI Matranga, Christopher/E-4741-2015;
OI Matranga, Christopher/0000-0001-7082-5938; Kauffman,
Douglas/0000-0002-7855-3428; Deng, Xingyi/0000-0001-9109-1443
FU RES, National Energy Technology Laboratory's Regional University
Alliance (NETL-RUA) [DE-FE0004000]; NETL; U.S. Department of
Energy-Office of Basic Energy Sciences [DE-FG02-12ER16354]
FX This technical effort was performed under RES contract DE-FE0004000 as
part of the National Energy Technology Laboratory's Regional University
Alliance (NETL-RUA), a collaborative initiative of the NETL. We
acknowledge Dr Adam Wise of Carnegie Mellon University for technical
assistance with TEM. R. J. acknowledges support by the U.S. Department
of Energy-Office of Basic Energy Sciences, grant DE-FG02-12ER16354. This
report was prepared as an account of work sponsored by an agency of the
United States Government. Neither the United States Government nor any
agency thereof, nor any of their employees, makes any warranty, express
or implied, or assumes any legal liability or responsibility for the
accuracy, completeness, or usefulness of any information, apparatus,
product, or process disclosed, or represents that its use would not
infringe privately owned rights.
NR 63
TC 16
Z9 16
U1 10
U2 69
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 2014
VL 5
IS 8
BP 3151
EP 3157
DI 10.1039/c4sc00997e
PG 7
WC Chemistry, Multidisciplinary
SC Chemistry
GA AK8BT
UT WOS:000338652900025
ER
PT J
AU Johnson, GE
Priest, T
Laskin, J
AF Johnson, Grant E.
Priest, Thomas
Laskin, Julia
TI Size-dependent stability toward dissociation and ligand binding energies
of phosphine ligated gold cluster ions
SO CHEMICAL SCIENCE
LA English
DT Article
ID SURFACE-INDUCED DISSOCIATION; INFRARED RADIATIVE DISSOCIATION;
NONCOVALENT PROTEIN COMPLEXES; OFF-RESONANCE EXCITATION; NUMBER AU-13
CLUSTERS; GAS-PHASE; MASS-SPECTROMETRY; COLLISIONAL ACTIVATION;
VANCOMYCIN ANTIBIOTICS; NANOCLUSTER FORMATION
AB The size-dependent properties of ultra-small gold cluster ions ligated with phosphines are important to their scalable synthesis and potential applications in catalysis and energy production. However, the size distribution of clusters prepared in solution often makes it challenging to extract thermodynamic and kinetic parameters for species containing an exact number of gold atoms and phosphine ligands in a specific charge state. Here, we report for the first time the experimental determination of the stability toward fragmentation and ligand binding energies of mass-selected cationic gold clusters ligated with triphenylphosphine. Employing surface-induced dissociation Au7L62+, Au8L62+, Au8L72+ and Au9L72+ (L = triphenylphosphine) clusters are demonstrated to fragment through loss of a neutral ligand (AunLm2+ -> AunL(m-1)2+ + L), asymmetric fission (AunLm2+ -> Au(n-1)L(m-2)+ + AuL2+) and more symmetric fission (Au7L62+ -> Au4L3+ + Au3L3+) involving charge separation of the gold core. It is shown that a cluster containing exactly eight gold atoms and six triphenylphosphine ligands, which is the predominant species formed during the early stages of reduction synthesis in solution, is exceptionally stable towards dissociation compared to the other clusters due in part to its large ligand binding energy.
C1 [Johnson, Grant E.; Priest, Thomas; Laskin, Julia] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
RP Laskin, J (reprint author), Pacific NW Natl Lab, Div Phys Sci, POB 999,MSIN K8-88, Richland, WA 99352 USA.
EM Julia.Laskin@pnnl.gov
RI Laskin, Julia/H-9974-2012;
OI Laskin, Julia/0000-0002-4533-9644; Johnson, Grant/0000-0003-3352-4444
FU US Department of Energy (DOE), Office of Basic Energy Sciences, Division
of Chemical Sciences, Geosciences Biosciences; DOE Science Undergraduate
Laboratory Internship (SULI); Linus Pauling Fellowship; Laboratory
Directed Research and Development Program at the Pacific Northwest
National Laboratory (PNNL); DOE's Office of Biological and Environmental
Research
FX This work was supported by the US Department of Energy (DOE), Office of
Basic Energy Sciences, Division of Chemical Sciences, Geosciences &
Biosciences. TP acknowledges partial support from the DOE Science
Undergraduate Laboratory Internship (SULI). GEJ acknowledges partial
support from the Linus Pauling Fellowship and the Laboratory Directed
Research and Development Program at the Pacific Northwest National
Laboratory (PNNL). 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 PNNL. PNNL is operated by Battelle
for the U.S. DOE.
NR 95
TC 4
Z9 4
U1 8
U2 49
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 2014
VL 5
IS 8
BP 3275
EP 3286
DI 10.1039/c4sc00849a
PG 12
WC Chemistry, Multidisciplinary
SC Chemistry
GA AK8BT
UT WOS:000338652900042
ER
PT J
AU Jarchow-Choy, SK
Koppisch, AT
Fox, DT
AF Jarchow-Choy, Sarah K.
Koppisch, Andrew T.
Fox, David T.
TI Synthetic Routes to Methylerythritol Phosphate Pathway Intermediates and
Downstream Isoprenoids
SO CURRENT ORGANIC CHEMISTRY
LA English
DT Article
DE Enzyme mechanism; isoprenoids; terpenes; MEP pathway
ID MEVALONATE-INDEPENDENT PATHWAY; GERANYLGERANYL DIPHOSPHATE SYNTHASE;
ENANTIOPURE 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE; MONOTERPENE INDOLE
ALKALOIDS; ALGA BOTRYOCOCCUS-BRAUNII; ESCHERICHIA-COLI;
1-DEOXY-D-XYLULOSE 5-PHOSPHATE; BIOSYNTHETIC-PATHWAY; ASYMMETRIC
DIHYDROXYLATION; ISOPENTENYL-DIPHOSPHATE
AB Isoprenoids constitute the largest class of natural products with greater than 55,000 identified members. They play essential roles in maintaining proper cellular function leading to maintenance of human health, plant defense mechanisms against predators, and are often exploited for their beneficial properties in the pharmaceutical and nutraceutical industries. Most impressively, all known isoprenoids are derived from one of two C-5-precursors, isopentenyl diphosphate (IPP) or dimethylallyl diphosphate (DMAPP). In order to study the enzyme transformations leading to the extensive structural diversity found within this class of compounds there must be access to the substrates. Sometimes, intermediates within a biological pathway can be isolated and used directly to study enzyme/pathway function. However, the primary route to most of the isoprenoid intermediates is through chemical catalysis. As such, this review provides the first exhaustive examination of synthetic routes to isoprenoid and isoprenoid precursors with particular emphasis on the syntheses of intermediates found as part of the 2C-methylerythritol 4-phosphate (MEP) pathway. In addition, representative syntheses are presented for the monoterpenes (C-10), sesquiterpenes (C-15), diterpenes (C-20), triterpenes (C-30) and tetraterpenes (C-40). Finally, in some instances, the synthetic routes to substrate analogs found both within the MEP pathway and downstream isoprenoids are examined.
C1 [Jarchow-Choy, Sarah K.; Fox, David T.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Koppisch, Andrew T.] No Arizona Univ, Flagstaff, AZ 86011 USA.
RP Fox, DT (reprint author), Los Alamos Natl Lab, Biosci Div MS M888, POB 1663, Los Alamos, NM 87545 USA.
EM andy.koppisch@nau.edu; dfox@lanl.gov
FU US Department of Energy [DE-EE0003046]; Office of Energy Efficiency and
Renewable Energy and Bioenergy Technologies (EERE-BETO); Los Alamos
National Laboratory Directed Research and Development [LDRD20130091DR]
FX We thank Mr. Lucas Harrington for critical review of the manuscript.
Funding for this review was supplied in part by the US Department of
Energy under Contract DE-EE0003046 awarded to the National Alliance for
Advanced Biofuels and Bioproducts (NAABB) and the Office of Energy
Efficiency and Renewable Energy and Bioenergy Technologies (EERE-BETO).
Funding was also provided by the Los Alamos National Laboratory Directed
Research and Development Grant #LDRD20130091DR.
NR 142
TC 2
Z9 3
U1 0
U2 12
PU BENTHAM SCIENCE PUBL LTD
PI SHARJAH
PA EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB
EMIRATES
SN 1385-2728
EI 1875-5348
J9 CURR ORG CHEM
JI Curr. Org. Chem.
PY 2014
VL 18
IS 8
BP 1050
EP 1072
PG 23
WC Chemistry, Organic
SC Chemistry
GA AK9DA
UT WOS:000338726500010
ER
PT J
AU Pan, HB
Liao, WS
Wai, CM
Oyola, Y
Janke, CJ
Tian, GX
Rao, LF
AF Pan, Horng-Bin
Liao, Weisheng
Wai, Chien M.
Oyola, Yatsandra
Janke, Christopher J.
Tian, Guoxin
Rao, Linfeng
TI Carbonate-H2O2 leaching for sequestering uranium from seawater
SO DALTON TRANSACTIONS
LA English
DT Article
ID HYDROGEN-PEROXIDE; SEA-WATER; RECOVERY; AMIDOXIME; COMPLEXES; SORBERS
AB Uranium adsorbed on amidoxime-based polyethylene fiber in simulated seawater can be quantitatively eluted at room temperature using 1 M Na2CO3 containing 0.1 M H2O2. This efficient elution process is probably due to the formation of an extremely stable uranyl-peroxo-carbonato complex in the carbonate solution. After washing with water, the sorbent can be reused with minimal loss of uranium loading capacity. Possible existence of this stable uranyl species in ocean water is also discussed.
C1 [Pan, Horng-Bin; Liao, Weisheng; Wai, Chien M.] Univ Idaho, Dept Chem, Moscow, ID 83844 USA.
[Oyola, Yatsandra; Janke, Christopher J.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Tian, Guoxin; Rao, Linfeng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Wai, CM (reprint author), Univ Idaho, Dept Chem, Moscow, ID 83844 USA.
EM cwai@uidaho.edu
RI Janke, Christopher/E-1598-2017
OI Janke, Christopher/0000-0002-6076-7188
FU DOE-NEUP Program [00042246]; Uranium Resources Program; Fuel Cycle
Research and Development Program; Office of Nuclear Energy of the U.S.
Department of Energy (DOE) at Lawrence Berkeley National Laboratory
(LBNL) [DE-AC02-05CH11231]
FX We acknowledge the financial support by DOE-NEUP Program under contract
number 00042246. GT and LR are supported by the Uranium Resources
Program, Fuel Cycle Research and Development Program, Office of Nuclear
Energy of the U.S. Department of Energy (DOE) under contract number
DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory (LBNL).
NR 32
TC 18
Z9 18
U1 2
U2 34
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 2014
VL 43
IS 28
BP 10713
EP 10718
DI 10.1039/c3dt53404a
PG 6
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA AK5DD
UT WOS:000338443700008
PM 24710325
ER
PT J
AU Lee, SH
DiLeo, RA
Marschilok, AC
Takeuchi, KJ
Takeuchi, ES
AF Lee, Shu Han
DiLeo, Roberta A.
Marschilok, Amy C.
Takeuchi, Kenneth J.
Takeuchi, Esther S.
TI Sol Gel Based Synthesis and Electrochemistry of Magnesium Vanadium
Oxide: A Promising Cathode Material for Secondary Magnesium Ion
Batteries
SO ECS ELECTROCHEMISTRY LETTERS
LA English
DT Article
ID MG INTERCALATION PROPERTIES; APROTIC ELECTROLYTES; HYDRATED SODIUM;
PENTOXIDE GELS; INSERTION; V2O5; ELECTRODES; NANOTUBES; LITHIUM;
COMPOSITES
AB Magnesium-ion batteries are desirable due to the high environmental abundance and low cost of magnesium metal. Preparation, characterization, and an initial electrochemical study of Mg0.1V2O5 prepared by a novel sol gel method with no high temperature post processing is presented. Cyclic voltammetry showed the material to be quasi-reversible, with improved kinetics in an acetonitrile relative to a carbonate based electrolyte. Galvanostatic test data under a C/10 discharge showed a delivered capacity >250 mAh/g over several cycles. Projecting these results to a magnesium anode battery would yield an average operating voltage similar to 3.2 V with an energy density similar to 800 mWh/g for the cathode material, suggesting promise of our synthesized material as a viable cathode material for secondary magnesium batteries. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Lee, Shu Han; Takeuchi, Esther S.] SUNY Buffalo, Dept Chem & Biol Engn, Buffalo, NY 14260 USA.
[DiLeo, Roberta A.; Marschilok, Amy C.; Takeuchi, Kenneth J.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11790 USA.
[DiLeo, Roberta A.; Marschilok, Amy C.; Takeuchi, Kenneth J.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11790 USA.
[Takeuchi, Esther S.] Brookhaven Natl Lab, Global & Reg Solut Directorate, Upton, NY 11973 USA.
RP Lee, SH (reprint author), SUNY Buffalo, Dept Chem & Biol Engn, Buffalo, NY 14260 USA.
EM amy.marschilok@stonybrook.edu; kenneth.takeuchi.1@stonybrook.edu;
esther.takeuchi@stonybrook.edu
FU Department of Energy, Office of Electricity [1275961]; U. S. Department
of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]
FX This material is based upon work supported by the Department of Energy,
Office of Electricity, administered through Sandia National
Laboratories, Purchase Order #1275961. The authors also acknowledge
Brookhaven National Laboratory for the SmartLab X-ray Diffractometer.
Scanning electron microscopy (SEM) was collected at the Center for
Functional Nanomaterials, Brookhaven National Laboratory, which is
supported by the U. S. Department of Energy, Office of Basic Energy
Sciences, under Contract No. DE-AC02-98CH10886. The authors acknowledge
Qing Zhang for SEM measurements.
NR 35
TC 17
Z9 17
U1 17
U2 114
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 2162-8726
EI 2162-8734
J9 ECS ELECTROCHEM LETT
JI ECS Electrochem. Lett.
PY 2014
VL 3
IS 8
BP 87
EP 90
DI 10.1149/2.0021408eel
PG 4
WC Electrochemistry; Materials Science, Multidisciplinary
SC Electrochemistry; Materials Science
GA AL3BO
UT WOS:000339000400002
ER
PT J
AU Archibald, R
Webster, C
AF Archibald, R.
Webster, C.
TI Special Issue: Uncertainty Quantification Foreword
SO INTERNATIONAL JOURNAL OF COMPUTER MATHEMATICS
LA English
DT Editorial Material
C1 [Archibald, R.; Webster, C.] Oak Ridge Natl Lab, Predict Methods Grp, Computat Sci & Math Div, Oak Ridge, TN 37830 USA.
RP Archibald, R (reprint author), Oak Ridge Natl Lab, Predict Methods Grp, Computat Sci & Math Div, Oak Ridge, TN 37830 USA.
RI Archibald, Rick/I-6238-2016
OI Archibald, Rick/0000-0002-4538-9780
NR 6
TC 0
Z9 0
U1 0
U2 0
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 0020-7160
EI 1029-0265
J9 INT J COMPUT MATH
JI Int. J. Comput. Math.
PY 2014
VL 91
IS 4
SI SI
BP 705
EP 706
DI 10.1080/00207160.2014.935206
PG 2
WC Mathematics, Applied
SC Mathematics
GA AK9XL
UT WOS:000338781800001
ER
PT J
AU Phipps, E
Hu, J
Ostien, JT
AF Phipps, Eric
Hu, Jonathan
Ostien, Jakob T.
TI Exploring emerging manycore architectures for uncertainty quantification
through embedded stochastic Galerkin methods
SO INTERNATIONAL JOURNAL OF COMPUTER MATHEMATICS
LA English
DT Article; Proceedings Paper
CT Workshop on Uncertainty Quantification for High Performance Computing
CY MAY 02-04, 2012
CL Oak Ridge Natl Lab, Oak Ridge, TN
HO Oak Ridge Natl Lab
DE uncertainty quantification; stochastic Galerkin; non-intrusive spectral
projection; elasticity; manycore architectures; GPGPUs
ID PARTIAL-DIFFERENTIAL-EQUATIONS; RANDOM INPUT DATA; MANAGING SOFTWARE
COMPLEXITY; COLLOCATION METHOD; POLYNOMIAL CHAOS; MULTIPHYSICS
SIMULATION; ANALYSIS CAPABILITIES; KRONECKER PRODUCT; FINITE-ELEMENTS;
SYSTEMS
AB We explore approaches for improving the performance of intrusive or embedded stochastic Galerkin uncertainty quantification methods on emerging computational architectures. Our work is motivated by the trend of increasing disparity between floating-point throughput and memory access speed on emerging architectures, thus requiring the design of new algorithms with memory access patterns more commensurate with computer architecture capabilities. We first compare the traditional approach for implementing stochastic Galerkin methods to non-intrusive spectral projection methods employing high-dimensional sparse quadratures on relevant problems from computational mechanics, and demonstrate the performance of stochastic Galerkin is reasonable. Several reorganizations of the algorithm with improved memory access patterns are described and their performance measured on contemporary manycore architectures. We demonstrate these reorganizations can lead to improved performance for matrix-vector products needed by iterative linear system solvers, and highlight further algorithm research that might lead to even greater performance.
C1 [Phipps, Eric] Sandia Natl Labs, Albuquerque, NM 87123 USA.
[Hu, Jonathan; Ostien, Jakob T.] Sandia Natl Labs, Livermore, CA USA.
RP Phipps, E (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA.
EM etphipp@sandia.gov
RI Ostien, Jakob/K-7053-2012
NR 48
TC 2
Z9 2
U1 0
U2 3
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 0020-7160
EI 1029-0265
J9 INT J COMPUT MATH
JI Int. J. Comput. Math.
PY 2014
VL 91
IS 4
SI SI
BP 707
EP 729
DI 10.1080/00207160.2013.840722
PG 23
WC Mathematics, Applied
SC Mathematics
GA AK9XL
UT WOS:000338781800002
ER
PT J
AU Roderick, O
Anitescu, M
Peet, Y
AF Roderick, Oleg
Anitescu, Mihai
Peet, Yulia
TI Proper orthogonal decompositions in multifidelity uncertainty
quantification of complex simulation models
SO INTERNATIONAL JOURNAL OF COMPUTER MATHEMATICS
LA English
DT Article; Proceedings Paper
CT Workshop on Uncertainty Quantification for High Performance Computing
CY MAY 02-04, 2012
CL Oak Ridge Natl Lab, Oak Ridge, TN
HO Oak Ridge Natl Lab
DE uncertainty quantification; model reduction; proper orthogonal
decomposition; Gaussian processes; kriging
AB We investigate uncertainty propagation in the context of high-end complex simulation codes, whose run-time on one configuration is on the order of the total limit of computational resources. To this end, we study the use of lower-fidelity data generated by proper orthogonal decomposition-based model reduction. A Gaussian process approach is used to model the difference between the higher-fidelity and the lower-fidelity data. The approach circumvents the extensive sampling of model outputs - impossible in our context - by substituting abundant, lower-fidelity data in place of high-fidelity data. This enables uncertainty analysis while accounting for the reduction in information caused by the model reduction. We test the approach on Navier-Stokes flow models: first on a simplified code and then using the scalable high-fidelity fluid mechanics solver Nek5000. We demonstrate that the approach can give reasonably accurate while conservative error estimates of important statistics including high quantiles of the drag coefficient.
C1 [Roderick, Oleg; Anitescu, Mihai] Argonne Natl Lab, MCS, Argonne, IL 60439 USA.
[Peet, Yulia] Arizona State Univ, Sch Engn Matter Transport & Energy, Tempe, AZ 85287 USA.
RP Roderick, O (reprint author), Argonne Natl Lab, MCS, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM roderick@mcs.anl.gov
NR 28
TC 2
Z9 3
U1 2
U2 8
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 0020-7160
EI 1029-0265
J9 INT J COMPUT MATH
JI Int. J. Comput. Math.
PY 2014
VL 91
IS 4
SI SI
BP 748
EP 769
DI 10.1080/00207160.2013.844431
PG 22
WC Mathematics, Applied
SC Mathematics
GA AK9XL
UT WOS:000338781800004
ER
PT J
AU Webster, CG
Zhang, GN
Gunzburger, M
AF Webster, Clayton G.
Zhang, Guannan
Gunzburger, Max
TI An adaptive sparse-grid iterative ensemble Kalman filter approach for
parameter field estimation
SO INTERNATIONAL JOURNAL OF COMPUTER MATHEMATICS
LA English
DT Article; Proceedings Paper
CT Workshop on Uncertainty Quantification for High Performance Computing
CY MAY 02-04, 2012
CL Oak Ridge Natl Lab, Oak Ridge, TN
HO Oak Ridge Natl Lab
DE sparse grids; ensemble Kalman filter; mesh refinement; parameter
estimation; random data; uncertainty quantification
ID STOCHASTIC COLLOCATION METHOD; PARTIAL-DIFFERENTIAL-EQUATIONS; RANDOM
INPUT DATA; MONTE-CARLO; MODELS
AB A new sparse-grid (SG) iterative ensemble Kalman filter (IEnKF) approach is proposed for estimating spatially varying parameters. The adaptive high-order hierarchical sparse-grid (aHHSG) method is adopted to discretize the unknown parameter field. An IEnKF is used to explore the parameter space and estimate the surpluses of the aHHSG interpolant at each SG level. Moreover, the estimated aHHSG interpolant on coarser levels is employed to provide a good initial guess of the IEnKF solver for the approximation on the finer levels. The method is demonstrated in estimating permeability field in flows through porous media.
C1 [Webster, Clayton G.; Zhang, Guannan] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37830 USA.
[Gunzburger, Max] Florida State Univ, Dept Sci Comp, Tallahassee, FL 32306 USA.
RP Webster, CG (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37830 USA.
EM webstercg@ornl.gov
OI Webster, Clayton/0000-0002-1375-0359; Zhang, Guannan/0000-0001-7256-150X
NR 31
TC 6
Z9 6
U1 1
U2 7
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 0020-7160
EI 1029-0265
J9 INT J COMPUT MATH
JI Int. J. Comput. Math.
PY 2014
VL 91
IS 4
SI SI
BP 798
EP 817
DI 10.1080/00207160.2013.854339
PG 20
WC Mathematics, Applied
SC Mathematics
GA AK9XL
UT WOS:000338781800007
ER
PT J
AU Bitoun, JP
Liao, SM
Xie, GG
Beatty, WL
Wen, ZZT
AF Bitoun, Jacob P.
Liao, Sumei
Xie, Gary G.
Beatty, Wandy L.
Wen, Zezhang T.
TI Deficiency of BrpB causes major defects in cell division, stress
responses and biofilm formation by Streptococcus mutans
SO MICROBIOLOGY-SGM
LA English
DT Article
ID BACILLUS-SUBTILIS; CRYSTAL-STRUCTURE; PROTEINS; LYTR; PSR; SYSTEM;
FAMILY; GENES; YJEE; WALL
AB Streptococcus mutans, the primary aetiological agent of dental caries, possesses an YjeE-like protein that is encoded by locus SMU.409, herein designated brpB. In this study, a BrpB-deficient mutant, JB409, and a double mutant deficient of BrpB and BrpA (a paralogue of the LytR-CpsA-Psr family of cell wall-associated proteins), JB819, were constructed and characterized using function assays and microscopy analysis. Both JB409 and JB819 displayed extended lag phases and drastically slowed growth rates during growth in brain heart infusion medium as compared to the wild-type, UA159. Relative to UA159, JB409 and JB819 were more than 60- and 10-fold more susceptible to acid killing at pH 2.8, and more than 1 and 2 logs more susceptible to hydrogen peroxide, respectively. Complementation of the deficient mutants with a wild-type copy of the respective gene(s) partly restored the acid and oxidative stress responses to a level similar to the wild-type. As compared to UA159, biofilm formation by 113409 and JB819 was drastically reduced (P<0.001), especially during growth in medium containing sucrose. Under a scanning electron microscope, JB409 had significantly more giant cells with an elongated, rod-like morphology, and JB819 formed marble-like super cells with apparent defects in cell division. As revealed by transmission electron microscopy analysis, BrpB deficiency in both JB409 and JB819 resulted in the development of low electron density patches and formation of a loose nucleoid structure. Taken together, these results suggest that BrpB likely functions together with BrpA in regulating cell envelope biogenesis/homeostasis in Strep. mutans. Further studies are under way to elucidate the mechanism that underlies the BrpA- and BrpB-mediated regulation.
C1 [Bitoun, Jacob P.; Liao, Sumei; Wen, Zezhang T.] Louisiana State Univ, Sch Dent, Ctr Excellence Oral & Craniofacial Biol, Hlth Sci Ctr, New Orleans, LA 70119 USA.
[Xie, Gary G.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Beatty, Wandy L.] Washington Univ, Dept Mol Microbiol, Sch Med, St Louis, MO 63110 USA.
[Wen, Zezhang T.] Louisiana State Univ, Sch Dent, Dept Comprehens Dent & Biomat, Hlth Sci Ctr, New Orleans, LA 70119 USA.
[Wen, Zezhang T.] Louisiana State Univ, Sch Med, Dept Microbiol Immunol & Parasitol, Hlth Sci Ctr, New Orleans, LA 70119 USA.
RP Wen, ZZT (reprint author), Louisiana State Univ, Sch Dent, Ctr Excellence Oral & Craniofacial Biol, Hlth Sci Ctr, New Orleans, LA 70119 USA.
EM zwen@lsuhsc.edu
OI xie, gary/0000-0002-9176-924X
FU NIH/NIDCR [DE19452]; Southern Louisiana Institute for Infectious Disease
Research
FX This study was supported in part by NIH/NIDCR grant DE19452 to Z. T. W
and by the Southern Louisiana Institute for Infectious Disease Research.
NR 38
TC 6
Z9 6
U1 0
U2 9
PU SOC GENERAL MICROBIOLOGY
PI READING
PA MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG,
BERKS, ENGLAND
SN 1350-0872
J9 MICROBIOL-SGM
JI Microbiology-(UK)
PD JAN
PY 2014
VL 160
BP 67
EP 78
DI 10.1099/mic.0.072884-0
PN 1
PG 12
WC Microbiology
SC Microbiology
GA AK7IU
UT WOS:000338602800007
PM 24190982
ER
PT J
AU Wang, H
Li, S
Si, YM
Zhang, N
Sun, ZZ
Wu, H
Lin, YH
AF Wang, Hua
Li, Shuai
Si, Yanmei
Zhang, Ning
Sun, Zongzhao
Wu, Hong
Lin, Yuehe
TI Platinum nanocatalysts loaded on graphene oxide-dispersed carbon
nanotubes with greatly enhanced peroxidase-like catalysis and
electrocatalysis activities
SO NANOSCALE
LA English
DT Article
ID METHANOL FUEL-CELLS; HYDROGEN-PEROXIDE; NANOPARTICLES; ENZYMES;
ELECTRODES; BIOSENSORS; ARRAYS; FILM
AB A powerful enzymatic mimetic has been fabricated by employing graphene oxide (GO) nanocolloids to disperse conductive carbon supports of hydrophobic carbon nanotubes (CNTs) before and after the loading of Pt nanocatalysts. The resulting GOCNT-Pt nanocomposites could present improved aqueous dispersion stability and Pt spatial distribution. Unexpectedly, they could show greatly enhanced peroxidase-like catalysis and electrocatalysis activities in water, as evidenced in the colorimetric and electrochemical investigations in comparison to some inorganic nanocatalysts commonly used. Moreover, it is found that the new enzyme mimetics could exhibit peroxidase-like catalysis activity comparable to natural enzymes; yet, they might circumvent some of their inherent problems in terms of catalysis efficiency, electron transfer, environmental stability, and cost effectiveness. Also, sandwiched electrochemical immunoassays have been successfully conducted using GOCNT-Pt as enzymatic tags. Such a fabrication avenue of noble metal nanocatalysts loaded on well-dispersed conductive carbon supports should be tailored for the design of different enzyme mimics promising the extensive catalysis applications in environmental, medical, industrial, and particularly aqueous biosensing fields.
C1 [Wang, Hua; Li, Shuai; Si, Yanmei; Zhang, Ning; Sun, Zongzhao] Qufu Normal Univ, Sch Chem & Chem Engn, Shandong Prov Key Lab Life Organ Anal, Qufu City 273165, Peoples R China.
[Wu, Hong; Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Lin, Yuehe] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.
RP Wang, H (reprint author), Qufu Normal Univ, Sch Chem & Chem Engn, Shandong Prov Key Lab Life Organ Anal, Qufu City 273165, Peoples R China.
EM huawangqfnu@126.com; yuehe.lin@pnnl.gov
RI Lin, Yuehe/D-9762-2011; Wang, Hua/L-4596-2016
OI Lin, Yuehe/0000-0003-3791-7587; Wang, Hua/0000-0003-0728-8986
FU National Institutes of Health Counter ACT Program by the National
Institute of Neurological Disorders and Stroke [NS058161-01]; National
Natural Science Foundation of China [21375075]; Taishan Scholar
Foundation of Shandong Province, P. R. China; DOE [DE-AC05-76RL01830]
FX This work is supported by the National Institutes of Health Counter ACT
Program by the National Institute of Neurological Disorders and Stroke
(award # NS058161-01), the National Natural Science Foundation of China
(no. 21375075), and the Taishan Scholar Foundation of Shandong Province,
P. R. China. The contents of this publication are solely the
responsibility of the authors and do not necessarily represent the
official views of the Federal Government. PNNL is operated by Battelle
for DOE under Contract DE-AC05-76RL01830.
NR 45
TC 26
Z9 26
U1 9
U2 88
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 2014
VL 6
IS 14
BP 8107
EP 8116
DI 10.1039/c4nr00983e
PG 10
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA AK7WR
UT WOS:000338638900052
PM 24916053
ER
PT J
AU Zhong, ZX
Wingert, MC
Strzalka, J
Wang, HH
Sun, T
Wang, J
Chen, RK
Jiang, Z
AF Zhong, Zhenxin
Wingert, Matthew C.
Strzalka, Joseph
Wang, Hsien-Hau
Sun, Tao
Wang, Jin
Chen, Renkun
Jiang, Zhang
TI Structure-induced enhancement of thermal conductivities in electrospun
polymer nanofibers
SO NANOSCALE
LA English
DT Article
ID X-RAY; POLYETHYLENE FIBERS; MOLECULAR-WEIGHT; NYLON 11; ORIENTATION;
SCATTERING; MODULUS; POLYMORPHISM; MORPHOLOGY; PHASE
AB Polymers that are thermally insulating in bulk forms have been found to exhibit higher thermal conductivities when stretched under tension. This enhanced heat transport performance is believed to arise from the orientational alignment of the polymer chains induced by tensile stretching. In this work, a novel high-sensitivity micro-device platform was employed to determine the axial thermal conductivity of individual Nylon-11 polymer nanofibers fabricated by electrospinning and post-stretching. Their thermal conductivity showed a correlation with the crystalline morphology measured by high-resolution wide-angle X-ray scattering. The relationship between the nanofiber internal structures and thermal conductivities could provide insights into the understanding of phonon transport mechanisms in polymeric systems and also guide future development of the fabrication and control of polymer nanofibers with extraordinary thermal performance and other desired properties.
C1 [Zhong, Zhenxin; Strzalka, Joseph; Sun, Tao; Wang, Jin; Jiang, Zhang] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA.
[Wingert, Matthew C.; Chen, Renkun] Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA.
[Wang, Hsien-Hau] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
RP Chen, RK (reprint author), Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA.
EM rkchen@ucsd.edu; zjiang@aps.anl.gov
RI Jiang, Zhang/A-3297-2012; Chen, Renkun/J-2400-2014
OI Jiang, Zhang/0000-0003-3503-8909; Chen, Renkun/0000-0001-7526-4981
FU DOE [DE-AC02-06CH11357]; Thermal Transport Program of the National
Science Foundation [CBET-1336428]; National Science Foundation Center
for Chemistry at the Space-Time Limit [CHE-082913]
FX Work at Argonne National Laboratory, including the use of Advanced
Photon Source and Electron Microscopy Center, Office of Use Office of
Science User Facilities operated for the U.S. Department of Energy (DOE)
Office of Science by Argonne National Laboratory, was supported under
DOE contract DE-AC02-06CH11357. R. C. and M. C. W. acknowledge the
support from the Thermal Transport Program of the National Science
Foundation (CBET-1336428). The FIB work was performed at the Laboratory
for Electron and X-ray Instrumentation (LEXI) at UC Irvine, using
instrumentation funded in part by the National Science Foundation Center
for Chemistry at the Space-Time Limit (CHE-082913).
NR 70
TC 16
Z9 16
U1 4
U2 58
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
EI 2040-3372
J9 NANOSCALE
JI Nanoscale
PY 2014
VL 6
IS 14
BP 8283
EP 8291
DI 10.1039/c4nr00547c
PG 9
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA AK7WR
UT WOS:000338638900074
PM 24932733
ER
PT J
AU Akula, M
El-Khoury, PZ
Nag, A
Bhattacharya, A
AF Akula, Mahesh
El-Khoury, Patrick Z.
Nag, Amit
Bhattacharya, Anupam
TI Selective Zn2+ sensing using a modified bipyridine complex
SO RSC ADVANCES
LA English
DT Article
ID ZINC ENZYMES; BIOLOGICAL APPLICATIONS; SYNTHETIC ANALOGS; FLUORESCENT;
CHEMISTRY; ION; NEUROBIOLOGY; IMMUNITY; ROLES; PROBE
AB A novel fluorescent Zn2+ sensor, 4-(pyridin-2-yl)-3H-pyrrolo[2,3-c] quinoline (PPQ), has been designed, synthesized and characterized by various spectroscopic and analytical techniques. PPQexhibits superior detection of Zn2+ in the presence of various cations tested, including Cd2+ and Hg2+, via shifting its emission maxima and fluorescence intensity enhancement. An emission wavelength at 500 nm, ensures probable non-interference from cellular components while performing biological applications.
C1 [Akula, Mahesh; Nag, Amit; Bhattacharya, Anupam] BITS Pilani Hyderabad Campus, Dept Chem, Hyderabad 500078, Andhra Pradesh, India.
[El-Khoury, Patrick Z.] Pacific NW Natl Lab, Phys Sci Div, Richland, WA 99352 USA.
RP Bhattacharya, A (reprint author), BITS Pilani Hyderabad Campus, Dept Chem, Hyderabad 500078, Andhra Pradesh, India.
EM amitnag@hyderabad.bits-pilani.ac.in; anupam@hyderabad.bits-pilani.ac.in
FU Laboratory Directed Research and Development Program through a Linus
Pauling Fellowship at Pacific Northwest National Laboratory (PNNL);
National Science Foundation
FX M.A. thanks the University Grants Commission (India) for JRF. P.Z.E
acknowledges support from the Laboratory Directed Research and
Development Program through a Linus Pauling Fellowship at Pacific
Northwest National Laboratory (PNNL), and an allocation of computing
time from the National Science Foundation (TG-CHE130003). A.N.
acknowledges support from BITS Pilani through a research initiation
grant. A.B. thanks the Department of Science and Technology, New Delhi,
India for a fast-track grant. The authors would like to thank Dr
Aasheesh Srivastava (IISER, Bhopal) for useful discussions.
NR 35
TC 8
Z9 8
U1 0
U2 26
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2014
VL 4
IS 49
BP 25605
EP 25608
DI 10.1039/c4ra00922c
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA AK4ZX
UT WOS:000338434500019
ER
PT J
AU Sheppard, DA
Corgnale, C
Hardy, B
Motyka, T
Zidan, R
Paskevicius, M
Buckley, CE
AF Sheppard, D. A.
Corgnale, C.
Hardy, B.
Motyka, T.
Zidan, R.
Paskevicius, M.
Buckley, C. E.
TI Hydriding characteristics of NaMgH2F with preliminary technical and cost
evaluation of magnesium-based metal hydride materials for concentrating
solar power thermal storage
SO RSC ADVANCES
LA English
DT Article
ID HYDROGEN STORAGE; ENERGY-STORAGE; VAPOR PRESSURE; ALLOY HYDRIDES; HEAT;
SODIUM; PEROVSKITE; SYSTEMS; THERMODYNAMICS; DECOMPOSITION
AB A simplified techno-economic model has been used as a screening tool to explore the factors that have the largest impact on the costs of using metal hydrides for concentrating solar thermal storage. The installed costs of a number of paired metal hydride concentrating solar thermal storage systems were assessed. These comprised of magnesium-based (MgH2, Mg2FeH6, NaMgH3, NaMgH2F) high-temperature metal hydrides (HTMH) for solar thermal storage and Ti1.2Mn1.8H3.0 as the low-temperature metal hydride (LTMH) for hydrogen storage. A factored method approach was used for a 200 MWel power plant operating at a plant capacity factor (PCF) of 50% with 7 hours of thermal storage capacity at full-load. In addition, the hydrogen desorption properties of NaMgH2F have been measured for the first time. It has a practical hydrogen capacity of 2.5 wt% (2.95 wt% theoretical) and desorbs hydrogen in a single-step process above 478 degrees C and in a two-step process below 478 degrees C. In both cases the final decomposition products are NaMgF3, Na and Mg. Only the single-step desorption is suitable for concentrating solar thermal storage applications and has an enthalpy of 96.8 kJ mol(-1) H-2 at the midpoint of the hydrogen desorption plateau. The techno-economic model showed that the cost of the LTMH, Ti1.2Mn1.8H3.0, is the most significant component of the system and that its cost can be reduced by increasing the operating temperature and enthalpy of hydrogen absorption in the HTMH that, in turn, reduces the quantity of hydrogen required in the system for an equivalent electrical output. The result is that, despite the fact that the theoretical thermal storage capacity of NaMgH2F (1416 kJ kg(-1)) is substantially lower than the theoretical values for MgH2 (2814 kJ kg(-1)), Mg2FeH6 (2090 kJ kg(-1)) and NaMgH3 (1721 kJ kg(-1)), its higher enthalpy and operating temperature leads to the lowest installed cost of the systems considered. A further decrease in cost could be achieved by utilizing metal hydrides with yet higher enthalpies and operating temperatures or by finding a lower cost option for the LTMH.
C1 [Sheppard, D. A.; Paskevicius, M.; Buckley, C. E.] Curtin Univ, Dept Imaging & Appl Phys, Fuels & Energy Technol Inst, Hydrogen Storage Res Grp, Perth, WA 6845, Australia.
[Corgnale, C.; Hardy, B.; Motyka, T.; Zidan, R.] Savannah River Natl Lab, Aiken, SC 29808 USA.
RP Sheppard, DA (reprint author), Curtin Univ, Dept Imaging & Appl Phys, Fuels & Energy Technol Inst, Hydrogen Storage Res Grp, GPO Box U1987, Perth, WA 6845, Australia.
EM drew.sheppard@gmail.com
RI Buckley, Craig/B-6753-2013
OI Buckley, Craig/0000-0002-3075-1863
FU Australian Research Council (ARC) [LP120101848]; ARC LIEF [LE0989180,
LE0775551]
FX C.E.B, D.A.S and M.P. acknowledge the financial support of the
Australian Research Council (ARC) for ARC Linkage grant LP120101848 and
C.E.B. also acknowledges ARC LIEF grants LE0989180 and LE0775551, which
enabled the XRD and gas sorption studies to be done. C.C, B.H, T.M and
R.Z acknowledge the U.S. Department of Energy, Office of Energy
Efficiency and Renewable Energy, and the SunShot Initiative.
NR 38
TC 25
Z9 25
U1 1
U2 30
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 2014
VL 4
IS 51
BP 26552
EP 26562
DI 10.1039/c4ra01682c
PG 11
WC Chemistry, Multidisciplinary
SC Chemistry
GA AK7XE
UT WOS:000338640200002
ER
PT J
AU Gao, Y
Zhou, B
Kang, SG
Xin, MS
Yang, P
Dai, X
Wang, ZG
Zhou, RH
AF Gao, Yang
Zhou, Bo
Kang, Seung-gu
Xin, Minsi
Yang, Ping
Dai, Xing
Wang, Zhigang
Zhou, Ruhong
TI Effect of ligands on the characteristics of (CdSe)(13) quantum dots
SO RSC ADVANCES
LA English
DT Article
ID DENSITY-FUNCTIONAL THEORY; SEMICONDUCTOR NANOCRYSTALS; CDSE
NANOCRYSTALS; ELECTRONIC-SPECTRA; OPTICAL-PROPERTIES; CADMIUM SELENIDE;
SOLAR-CELLS; CLUSTERS; NANOPARTICLES; NANOCLUSTERS
AB The widespread applications of quantum dots (QDs) have spurred an increasing interest in the study of their coating ligands, which can not only protect the electronic structures of the central QDs, but also control their permeability through biological membranes with both size and shape. In this work, we have used density functional theory (DFT) to systematically investigate the electronic structures of (CdSe)(13) passivated by OPMe2(CH2)(n)Me ligands with different lengths and various numbers of branches (Me = methyl group, n = 0, 1-3) as well as different number of ligands ((CdSe)(13) + [OPMe2(CH2)(2)Me](m) (m = 0, 1, 9, 10)). Our results show that the absorption peak in the ultraviolet-visible (UV-vis) spectra displays a clear blue-shift, on the scale of similar to 100 nm, upon the binding of ligands. Once the total number of ligands bound with (CdSe)(13) reached a saturated number (9 or 10), no more blue-shift occurred in the absorption peak in the UV-vis spectra. On the other hand, the aliphatic chain length of ligands has a negligible effect on the optical properties of the QD core. Analyses of the bonding characteristics confirm that optical transitions are dominantly governed by the central QD core rather than the organic passivation. These findings might provide insights on the material design for the passivation of quantum dots for biomedical applications.
C1 [Gao, Yang; Xin, Minsi; Dai, Xing; Wang, Zhigang; Zhou, Ruhong] Jilin Univ, Inst Atom & Mol Phys, Changchun 130012, Peoples R China.
[Zhou, Bo] Zhejiang Univ, Dept Phys, Bio X Lab, Hangzhou 310027, Zhejiang, Peoples R China.
[Kang, Seung-gu; Zhou, Ruhong] IBM Corp, Thomas J Watson Res Ctr, Computat Biol Ctr, Yorktown Hts, NY 10598 USA.
[Yang, Ping] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
[Wang, Zhigang] Jilin Univ, Inst Theoret Chem, State Key Lab Theoret & Computat Chem, Changchun 130023, Peoples R China.
[Zhou, Ruhong] Columbia Univ, Dept Chem, New York, NY 10027 USA.
RP Wang, ZG (reprint author), Jilin Univ, Inst Atom & Mol Phys, Changchun 130012, Peoples R China.
EM wangzg@jlu.edu.cn; ruhongz@us.ibm.com
RI Wang, Zhigang/O-1984-2013;
OI Wang, Zhigang/0000-0002-3028-5196; Yang, Ping/0000-0003-4726-2860
FU IBM Blue Gene Science Program; National Science Foundation of China
[11374004]
FX The work described in this paper is supported by IBM Blue Gene Science
Program, and grants from the National Science Foundation of China under
grant no. 11374004. Z. W. acknowledges the High Performance Computing
Center (HPCC) of Jilin University.
NR 71
TC 6
Z9 6
U1 1
U2 31
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2014
VL 4
IS 52
BP 27146
EP 27151
DI 10.1039/c4ra03202k
PG 6
WC Chemistry, Multidisciplinary
SC Chemistry
GA AK7YJ
UT WOS:000338643500008
ER
PT J
AU Weng, W
Yuan, SW
Azimi, N
Jiang, Z
Liu, YZ
Ren, Y
Abouimrane, A
Zhang, ZC
AF Weng, Wei
Yuan, Shengwen
Azimi, Nasim
Jiang, Zhang
Liu, Yuzi
Ren, Yang
Abouimrane, Ali
Zhang, Zhengcheng
TI Improved cyclability of a lithium-sulfur battery using POP-Sulfur
composite materials
SO RSC ADVANCES
LA English
DT Article
ID HARD-SPHERE INTERACTIONS; POROUS ORGANIC POLYMERS; GRAPHENE OXIDE;
ELECTROCHEMICAL PERFORMANCE; HETEROGENEOUS CATALYSIS; HYDROGEN STORAGE;
CATHODE MATERIAL; ION BATTERIES; HIGH-CAPACITY; CELLS
AB The microporous nature of the porous organic polymer (POP) successfully limits the crystallization of sulfur and hence restrains the dissolution and diffusion of lithium polysulfides formed during the repeated charge and discharge process of lithium-sulfur batteries. In this study, we demonstrated for the first time that a POP-sulfur nanocomposite can lead to high coulombic efficiency and superior reversibility in lithium-sulfur batteries.
C1 [Weng, Wei; Yuan, Shengwen; Azimi, Nasim; Abouimrane, Ali; Zhang, Zhengcheng] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Jiang, Zhang] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Liu, Yuzi; Ren, Yang] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
[Azimi, Nasim] Univ Illinois, Dept Chem Engn, Chicago, IL 60607 USA.
[Azimi, Nasim] Univ Illinois, Dept Bioengn, Chicago, IL 60607 USA.
RP Zhang, ZC (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM weng@anl.gov; syuan@anl.gov; nzazimi@anl.gov; zjiang@aps.anl.gov;
yuziliu@anl.gov; ren@aps.anl.gov; abouimrane@anl.gov; zzhang@anl.gov
RI Jiang, Zhang/A-3297-2012; Liu, Yuzi/C-6849-2011
OI Jiang, Zhang/0000-0003-3503-8909;
FU Center for Electrical Energy Storage: Tailored Interfaces, an Energy
Frontier Research Center - U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences; Argonne, a U.S. Department of Energy
Office of Science laboratory [DE-AC02-06CH11357]
FX This work was supported by the Center for Electrical Energy Storage:
Tailored Interfaces, an Energy Frontier Research Center funded by the
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences. Electron Microscopy center for Materials Research, Center for
Nanoscale Materials and Advanced Photon Source are also acknowledged.
Argonne, a U.S. Department of Energy Office of Science laboratory, is
operated under Contract no. DE-AC02-06CH11357.
NR 50
TC 2
Z9 2
U1 4
U2 36
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 2014
VL 4
IS 52
BP 27518
EP 27521
DI 10.1039/c4ra02589j
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA AK7YJ
UT WOS:000338643500053
ER
PT J
AU Christov, IC
Lueptow, RM
Ottino, JM
Sturman, R
AF Christov, Ivan C.
Lueptow, Richard M.
Ottino, Julio M.
Sturman, Rob
TI A Study in Three-Dimensional Chaotic Dynamics: Granular Flow and
Transport in a Bi-Axial Spherical Tumbler
SO SIAM JOURNAL ON APPLIED DYNAMICAL SYSTEMS
LA English
DT Article
DE chaotic advection; transport; linked twist maps; granular flow
ID VOLUME-PRESERVING MAPS; TAYLOR-COUETTE FLOW; LAMINAR-FLOW; STOKES FLOWS;
COHERENT STRUCTURES; STIRRED-TANK; 3 DIMENSIONS; V-BLENDER; ADVECTION;
STREAMLINES
AB We study three-dimensional (3D) chaotic dynamics through an analysis of transport in a granular flow in a half-full spherical tumbler rotated sequentially about two orthogonal axes (a bi-axial "blinking" tumbler). The flow is essentially quasi-two-dimensional (quasi-2D) in any vertical slice of the sphere during rotation about a single axis, and we provide an explicit exact solution to the model in this case. Hence, the cross-sectional flow can be represented by a twist map, allowing us to express the 3D flow as a linked twist map (LTM). We prove that if the rates of rotation about each axis are equal, then (in the absence of stochasticity) particle trajectories are restricted to two-dimensional (2D) surfaces consisting of a portion of a hemispherical shell closed by a "cap"; if the rotation rates are unequal, then particles can leave the surface they start on and traverse a volume of the tumbler. The period-one structures of the governing LTM are examined in detail: analytical expressions are provided for the location of period-one curves, their extent into the bulk of the granular material, and their dependence on the protocol parameters (rates and durations of rotations). Exploiting the restriction of trajectories to 2D surfaces in the case of equal rotation rates about the axes, we propose a method for identifying and constructing 3D Kolmogorov-Arnold-Moser (KAM) tubes around the normally elliptic period-one curves. The invariant manifold structure arising from the normally hyperbolic period-one curves is also examined. When the motion is restricted to 2D surfaces, the structure of manifolds of the hyperbolic points in the bulk differs from that corresponding to hyperbolic points in the flowing layer. Each is reminiscent of a template provided by a nonintegrable perturbation to a Hamiltonian system, though the governing LTM is not. This highlights the novel 3D chaotic behaviors observed in this model dynamical system.
C1 [Christov, Ivan C.] Northwestern Univ, Dept Engn Sci & Appl Math, Evanston, IL 60208 USA.
[Christov, Ivan C.] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA.
[Lueptow, Richard M.] Northwestern Univ, Dept Mech Engn, Evanston, IL 60208 USA.
[Lueptow, Richard M.; Ottino, Julio M.] Northwestern Univ, Northwestern Inst Complex Syst NICO, Evanston, IL 60208 USA.
[Ottino, Julio M.] Northwestern Univ, Dept Chem & Biol Engn, Evanston, IL 60208 USA.
[Sturman, Rob] Univ Leeds, Dept Appl Math, Leeds LS2 9JT, W Yorkshire, England.
RP Christov, IC (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM christov@u.northwestern.edu; r-lueptow@northwestern.edu;
jm-ottino@northwestern.edu; r.sturman@maths.leeds.ac.uk
RI Christov, Ivan/B-9418-2008; Lueptow, Richard /B-6740-2009; Ottino,
Julio/B-6682-2009
OI Christov, Ivan/0000-0001-8531-0531;
FU NSF [CMMI-1000469, DMS-1104047]; Robert R. McCormick School of
Engineering and Applied Science; LANL/LDRD Program through a Feynman
Distinguished Fellowship at Los Alamos National Laboratory; National
Nuclear Security Administration of the U.S. Department of Energy
[DE-AC52-06NA25396]
FX Received by the editors August 22, 2013; accepted for publication (in
revised form) by C. Wayne March 14, 2014; published electronically May
22, 2014. The work of the first three authors was supported in part by
NSF grant CMMI-1000469.; Department of Engineering Sciences and Applied
Mathematics, Northwestern University, Evanston, IL 60208
(christov@u.northwestern.edu); Department of Mechanical and Aerospace
Engineering, Princeton University, Princeton, NJ 08544. Current address:
Theoretical Division and Center for Nonlinear Studies, Los Alamos
National Laboratory, Los Alamos, NM 87545. The work of this author was
supported in part by a Walter P. Murphy Fellowship from the Robert R.
McCormick School of Engineering and Applied Science, by NSF grant
DMS-1104047, and by the LANL/LDRD Program through a Feynman
Distinguished Fellowship at Los Alamos National Laboratory, which is
operated by Los Alamos National Security, L.L.C. for the National
Nuclear Security Administration of the U.S. Department of Energy under
contract DE-AC52-06NA25396.
NR 90
TC 4
Z9 4
U1 2
U2 17
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 1536-0040
J9 SIAM J APPL DYN SYST
JI SIAM J. Appl. Dyn. Syst.
PY 2014
VL 13
IS 2
BP 901
EP 943
DI 10.1137/130934076
PG 43
WC Mathematics, Applied; Physics, Mathematical
SC Mathematics; Physics
GA AL0SA
UT WOS:000338835800010
ER
PT J
AU Adler, JH
Vassilevski, PS
AF Adler, J. H.
Vassilevski, P. S.
TI ERROR ANALYSIS FOR CONSTRAINED FIRST-ORDER SYSTEM LEAST-SQUARES
FINITE-ELEMENT METHODS
SO SIAM JOURNAL ON SCIENTIFIC COMPUTING
LA English
DT Article
DE FOSLS; constrained minimization; mass conservation; saddle-point problem
ID NAVIER-STOKES EQUATIONS; ADJOINT ELLIPTIC PROBLEMS; MASS CONSERVATION;
FORMULATION; PRINCIPLES; REFINEMENT
AB In this paper, a general error analysis is provided for finite-element discretizations of partial differential equations in a saddle-point form with divergence constraint. In particular, this extends upon the work of [J. H. Adler and P. S. Vassilevski, Springer Proc. Math. Statist. 45, Springer, New York, 2013, pp. 1-19], giving a general error estimate for finite-element problems augmented with a divergence constraint and showing that these estimates are obtained for problems such as diffusion and Stokes' using the first-order system least-squares (FOSLS) finite-element method. The main result is that by enforcing the constraint on a H-1-equivalent FOSLS formulation one maintains optimal convergence of the FOSLS functional (i.e., the energy norm of the error) while guaranteeing the conservation of the divergence constraint (i.e., mass conservation in some examples). The error estimates and results depend on using finite elements for the constraint space that are inf-sup stable when paired with the spaces used for the original unknowns. This includes using discontinuous spaces on coarse meshes and pairing with standard bilinear or biquadratic elements in order to confirm the results.
C1 [Adler, J. H.] Tufts Univ, Dept Math, Medford, MA 02155 USA.
[Vassilevski, P. S.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA.
RP Adler, JH (reprint author), Tufts Univ, Dept Math, Medford, MA 02155 USA.
EM james.adler@tufts.edu; panayot@llnl.gov
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; National Science Foundation [DMS-1216972]
FX Submitted to the journal's Methods and Algorithms for Scientific
Computing section October 28, 2013; accepted for publication (in revised
form) March 11, 2014; published electronically June 3, 2014. This work
was performed under the auspices of the U.S. Department of Energy by
Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344
and was sponsored by the National Science Foundation under grant
DMS-1216972.
NR 41
TC 0
Z9 0
U1 0
U2 2
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 1064-8275
EI 1095-7197
J9 SIAM J SCI COMPUT
JI SIAM J. Sci. Comput.
PY 2014
VL 36
IS 3
BP A1071
EP A1088
DI 10.1137/130943091
PG 18
WC Mathematics, Applied
SC Mathematics
GA AK9YA
UT WOS:000338783300009
ER
PT J
AU Falgout, RD
Schroder, JB
AF Falgout, Robert D.
Schroder, Jacob B.
TI NON-GALERKIN COARSE GRIDS FOR ALGEBRAIC MULTIGRID
SO SIAM JOURNAL ON SCIENTIFIC COMPUTING
LA English
DT Article
DE multigrid; algebraic multigrid; non-Galerkin coarse grid; parallel
computing; high-performance computing
ID INTERPOLATION
AB Algebraic multigrid (AMG) is a popular and effective solver for systems of linear equations that arise from discretized partial differential equations. While AMG has been effectively implemented on large scale parallel machines, challenges remain, especially when moving to exascale. In particular, stencil sizes (the number of nonzeros in a row) tend to increase further down in the coarse grid hierarchy, and this growth leads to more communication. Thus, as problem size increases and the number of levels in the hierarchy grows, the overall efficiency of the parallel AMG method decreases, sometimes dramatically. This growth in stencil size is due to the standard Galerkin coarse grid operator, P-T AP, where P is the prolongation (i.e., interpolation) operator. For example, the coarse grid stencil size for a simple three-dimensional (3D) seven-point finite differencing approximation to diffusion can increase into the thousands on present day machines, causing an associated increase in communication costs. We therefore consider algebraically truncating coarse grid stencils to obtain a non-Galerkin coarse grid. First, the sparsity pattern of the non-Galerkin coarse grid is determined by employing a heuristic minimal "safe" pattern together with strength-of-connection ideas. Second, the nonzero entries are determined by collapsing the stencils in the Galerkin operator using traditional AMG techniques. The result is a reduction in coarse grid stencil size, overall operator complexity, and parallel AMG solve phase times.
C1 [Falgout, Robert D.; Schroder, Jacob B.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA.
RP Falgout, RD (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, POB 808,L-561, Livermore, CA 94551 USA.
EM falgout2@llnl.gov; schroder2@llnl.gov
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344 (LLNL-JRNL-641635)]
FX This work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under contract
DE-AC52-07NA27344 (LLNL-JRNL-641635).
NR 19
TC 2
Z9 2
U1 0
U2 0
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 1064-8275
EI 1095-7197
J9 SIAM J SCI COMPUT
JI SIAM J. Sci. Comput.
PY 2014
VL 36
IS 3
BP C309
EP C334
DI 10.1137/130931539
PG 26
WC Mathematics, Applied
SC Mathematics
GA AK9YA
UT WOS:000338783300038
ER
PT J
AU Chassin, DP
Fuller, JC
Djilali, N
AF Chassin, David P.
Fuller, Jason C.
Djilali, Ned
TI GridLAB-D: An Agent-Based Simulation Framework for Smart Grids
SO JOURNAL OF APPLIED MATHEMATICS
LA English
DT Article
ID STATE-QUEUING MODEL; DEMAND RESPONSE; POWER; ECONOMICS; SYSTEM
AB Simulation of smart grid technologies requires a fundamentally new approach to integrated modeling of power systems, energy markets, building technologies, and the plethora of other resources and assets that are becoming part of modern electricity production, delivery, and consumption systems. As a result, the US Department of Energy's Office of Electricity commissioned the development of a new type of power system simulation tool called GridLAB-D that uses an agent-based approach to simulating smart grids. This paper presents the numerical methods and approach to time-series simulation used by GridLAB-D and reviews applications in power system studies, market design, building control system design, and integration of wind power in a smart grid.
C1 [Chassin, David P.; Fuller, Jason C.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Chassin, David P.; Djilali, Ned] Univ Victoria, Dept Mech Engn, Victoria, BC V8P 5C2, Canada.
[Chassin, David P.; Djilali, Ned] Univ Victoria, Inst Integrated Energy Syst, Victoria, BC V8P 5C2, Canada.
[Djilali, Ned] King Abdulaziz Univ, Fac Engn, Jeddah 21589, Saudi Arabia.
RP Chassin, DP (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM dchassin@uvic.ca
RI Djilali, Ned/B-1232-2010; Fuller, Jason/C-9951-2014
OI Djilali, Ned/0000-0002-9047-0289; Fuller, Jason/0000-0002-0462-0093
FU US Department of Energy's Office of Electricity
FX This work was funded in part by the US Department of Energy's Office of
Electricity.
NR 41
TC 6
Z9 7
U1 0
U2 12
PU HINDAWI PUBLISHING CORPORATION
PI NEW YORK
PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA
SN 1110-757X
EI 1687-0042
J9 J APPL MATH
JI J. Appl. Math.
PY 2014
AR 492320
DI 10.1155/2014/492320
PG 12
WC Mathematics, Applied
SC Mathematics
GA AK6JQ
UT WOS:000338534300001
ER
PT J
AU Oh, IK
Srivastava, A
Park, IK
Hu, MZ
AF Oh, Il-Kwon
Srivastava, Anchal
Park, In-Kyu
Hu, Michael Z.
TI Nano for Biomimetics and Biomaterials
SO JOURNAL OF NANOMATERIALS
LA English
DT Editorial Material
C1 [Oh, Il-Kwon] Korea Adv Inst Sci & Technol, Graphene Res Ctr, Sch Mech Aerosp & Syst Engn, Div Ocean Syst Engn, Taejon 305701, South Korea.
[Srivastava, Anchal] Banaras Hindu Univ, Dept Phys, Varanasi 221005, Uttar Pradesh, India.
[Park, In-Kyu] Chonnam Natl Univ, Dept Biomed Sci, Kwangju 500757, South Korea.
[Hu, Michael Z.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Oh, IK (reprint author), Korea Adv Inst Sci & Technol, Graphene Res Ctr, Sch Mech Aerosp & Syst Engn, Div Ocean Syst Engn, 335 Gwahak Ro, Taejon 305701, South Korea.
EM ikoh@kaist.ac.kr
RI OH, ILKWON/B-7121-2011;
OI Hu, Michael/0000-0001-8461-9684
NR 0
TC 0
Z9 0
U1 0
U2 6
PU HINDAWI PUBLISHING CORPORATION
PI NEW YORK
PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA
SN 1687-4110
EI 1687-4129
J9 J NANOMATER
JI J. Nanomater.
PY 2014
AR 485642
DI 10.1155/2014/485642
PG 1
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
SC Science & Technology - Other Topics; Materials Science
GA AL1AJ
UT WOS:000338857900001
ER
PT J
AU Qian, DN
Xu, B
Chi, MF
Meng, YS
AF Qian, Danna
Xu, Bo
Chi, Miaofang
Meng, Ying Shirley
TI Uncovering the roles of oxygen vacancies in cation migration in lithium
excess layered oxides
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID X-RAY-DIFFRACTION; NICKEL MANGANESE OXIDES; ION BATTERIES; ELECTRODE
MATERIAL; CATHODE MATERIALS; LOCAL-STRUCTURE; 1ST PRINCIPLES;
LI1.2NI0.2MN0.6O2; NMR; MN
AB A novel oxygen vacancy assisted transition metal (TM) diffusion mechanism is proposed for the first time to explain the near-surface phase transformation in lithium excess transition metal layered oxides. Oxygen vacancies and TM migration have been observed at nm scale spatial resolution by Scanning Transmission Electron Microscopy and Electron Energy Loss Spectroscopy. Formation of (dilute) oxygen vacancies and their roles in assisting transition metal ion diffusion were further investigated using first principles calculations. The activation barriers of TM diffusion in the presence of oxygen vacancies are drastically reduced and consistently in a reasonable range for room temperature diffusion.
C1 [Qian, Danna; Meng, Ying Shirley] Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92093 USA.
[Xu, Bo] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA.
[Chi, Miaofang] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Meng, YS (reprint author), Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92093 USA.
EM shirleymeng@ucsd.edu
RI Qian, Danna/H-6580-2015; Chi, Miaofang/Q-2489-2015
OI Chi, Miaofang/0000-0003-0764-1567
FU Assistant Secretary for Energy Efficiency and Renewable Energy, Office
of Vehicle Technologies of the U.S. DOE under the Batteries for Advanced
Transportation Technologies (BATT) Program [DE-AC02-05CH11231, 7056412];
National Science Foundation [OCI-1053575]; ORNL's Center for Nanophase
Materials Sciences (CNMS); Scientific User Facilities Division, Office
of Basic Energy Sciences, US Department of Energy
FX The authors acknowledge the financial support from the Assistant
Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle
Technologies of the U.S. DOE under Contract No. DE-AC02-05CH11231,
Subcontract No. 7056412 under the Batteries for Advanced Transportation
Technologies (BATT) Program. Computing resources are provided by Extreme
Science and Engineering Discovery Environment (XSEDE) supported by
National Science Foundation grant number OCI-1053575. The STEM/EELS work
was carried out through a user project supported by ORNL's Center for
Nanophase Materials Sciences (CNMS), which is sponsored by the
Scientific User Facilities Division, Office of Basic Energy Sciences, US
Department of Energy. We thank Mr Haodong Liu for sample preparation and
Dr S. Curtarolo and coworkers for providing aconvasp code.
NR 23
TC 39
Z9 39
U1 11
U2 55
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 28
BP 14665
EP 14668
DI 10.1039/c4cp01799d
PG 4
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AK5CW
UT WOS:000338442900038
PM 24931734
ER
PT J
AU Posada-Perez, S
Vines, F
Ramirez, PJ
Vidal, AB
Rodriguez, JA
Illas, F
AF Posada-Perez, Sergio
Vines, Francesc
Ramirez, Pedro J.
Vidal, Alba B.
Rodriguez, Jose A.
Illas, Francesc
TI The bending machine: CO2 activation and hydrogenation on delta-MoC(001)
and beta-Mo2C(001) surfaces
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID AU-C INTERACTIONS; DENSITY-FUNCTIONAL THEORY; TRANSITION-METAL CARBIDES;
AUGMENTED-WAVE METHOD; GAS-SHIFT REACTION; MOLYBDENUM CARBIDE; METHANOL
SYNTHESIS; DESULFURIZATION REACTIONS; ELECTRONIC-STRUCTURE; CHARGE
POLARIZATION
AB The adsorption and activation of a CO2 molecule on cubic delta-MoC(001) and orthorhombic beta-Mo2C(001) surfaces have been investigated by means of periodic density functional theory based calculations using the Perdew-Burke-Ernzerhof exchange-correlation functional and explicitly accounting for (or neglecting) the dispersive force term description as proposed by Grimme. The DFT results indicate that an orthorhombic beta-Mo2C(001) Mo-terminated polar surface provokes the spontaneous cleavage of a C-O bond in CO2 and carbon monoxide formation, whereas on a beta-Mo2C(001) C-terminated polar surface or on a delta-MoC(001) nonpolar surface the CO2 molecule is activated yet the C-O bond prevails. Experimental tests showed that Mo-terminated beta-Mo2C(001) easily adsorbs and decomposes the CO2 molecule. This surface is an active catalyst for the hydrogenation of CO2 to methanol and methane. Although MoC does not dissociate C-O bonds on its own, it binds CO2 better than transition metal surfaces and is an active and selective catalyst for the CO2 + 3H(2) -> CH3OH + H2O reaction. Our theoretical and experimental results illustrate the tremendous impact that the carbon/metal ratio has on the chemical and catalytic properties of molybdenum carbides. This ratio must be taken into consideration when designing catalysts for the activation and conversion of CO2.
C1 [Posada-Perez, Sergio; Vines, Francesc; Illas, Francesc] Univ Barcelona, Dept Quim & Fis, E-08028 Barcelona, Spain.
[Posada-Perez, Sergio; Vines, Francesc; Illas, Francesc] Univ Barcelona, Inst Quim Teor & Computac IQTCUB, E-08028 Barcelona, Spain.
[Ramirez, Pedro J.] Cent Univ Venezuela, Fac Ciencias, Caracas 1020A, Venezuela.
[Ramirez, Pedro J.; Vidal, Alba B.; Rodriguez, Jose A.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
[Vidal, Alba B.] IVIC, Ctr Quim, Caracas 1020A, Venezuela.
RP Illas, F (reprint author), Univ Barcelona, Dept Quim & Fis, C Marti & Franques 1, E-08028 Barcelona, Spain.
EM francesc.illas@ub.edu
RI Illas, Francesc /C-8578-2011; caputo, carlo/N-3747-2014
OI Illas, Francesc /0000-0003-2104-6123;
FU Spanish MINECO [CTQ2012-30751]; Generalitat de Catalunya [2014SGR97,
XRQTC]; U. S. Department of Energy, Chemical Sciences Division
[DE-AC02-98CH10886]; Spanish MEC predoctoral grant [CTQ2012-30751];
MINECO [JCI-2010-06372]; ICREA Academia award for excellence in
research; INTEVEP; IDB; Red Espanola de Supercomputacion
FX The research carried out at the Universitat de Barcelona was supported
by the Spanish MINECO grant CTQ2012-30751 grant and, in part, by
Generalitat de Catalunya (grants 2014SGR97 and XRQTC). The research
carried out at BNL was supported by the U. S. Department of Energy,
Chemical Sciences Division (DE-AC02-98CH10886). S.P.P acknowledges
financial support from Spanish MEC predoctoral grant associated with
CTQ2012-30751; F.V. thanks the MINECO for a postdoctoral Juan de la
Cierva grant (JCI-2010-06372); F.I. acknowledges additional support
through the ICREA Academia award for excellence in research and P.J.R.
is grateful to INTEVEP and IDB for support of the work carried out at
UCV. Computational time at the MARENOSTRUM supercomputer has been
provided by the Barcelona Supercomputing Centre through a grant from Red
Espanola de Supercomputacion.
NR 53
TC 29
Z9 29
U1 20
U2 140
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 28
BP 14912
EP 14921
DI 10.1039/c4cp01943a
PG 10
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AK5CW
UT WOS:000338442900067
PM 24931917
ER
PT J
AU Hu, A
Fan, TH
Katsaras, J
Xia, Y
Li, M
Nieh, MP
AF Hu, Andrew
Fan, Tai-Hsi
Katsaras, John
Xia, Yan
Li, Ming
Nieh, Mu-Ping
TI Lipid-based nanodiscs as models for studying mesoscale coalescence - a
transport limited case
SO SOFT MATTER
LA English
DT Article
ID UNILAMELLAR VESICLES; COLLOID AGGREGATION; COAGULATION; UNIVERSALITY;
TRANSITION; SCATTERING; DIFFUSION; PARTICLES; STABILITY; MIXTURES
AB Lipid-based nanodiscs (bicelles) are able to form in mixtures of long-and short-chain lipids. Initially, they are of uniform size but grow upon dilution. Previously, nanodisc growth kinetics have been studied using time-resolved small angle neutron scattering (SANS), a technique which is not well suited for probing their change in size immediately after dilution. To address this, we have used dynamic light scattering (DLS), a technique which permits the collection of useful data in a short span of time after dilution of the system. The DLS data indicate that the negatively charged lipids in nanodiscs play a significant role in disc stability and growth. Specifically, the charged lipids are most likely drawn out from the nanodiscs into solution, thereby reducing interparticle repulsion and enabling the discs to grow. We describe a population balance model, which takes into account Coulombic interactions and adequately predicts the initial growth of nanodiscs with a single parameter - i.e., surface potential. The results presented here strongly support the notion that the disc coalescence rate strongly depends on nanoparticle charge density. The present system containing low-polydispersity lipid nanodiscs serves as a good model for understanding how charged discoidal micelles coalesce.
C1 [Hu, Andrew; Fan, Tai-Hsi] Univ Connecticut, Dept Mech Engn, Storrs, CT 06269 USA.
[Katsaras, John] Oak Ridge Natl Lab, Neutron Sci Directorate, Oak Ridge, TN 37831 USA.
[Katsaras, John] Oak Ridge Natl Lab, Joint Inst Neutron Sci, Oak Ridge, TN 37831 USA.
[Xia, Yan; Li, Ming; Nieh, Mu-Ping] Univ Connecticut, Chem & Biomol Engn Dept, Storrs, CT 06269 USA.
RP Nieh, MP (reprint author), Univ Connecticut, Chem & Biomol Engn Dept, Storrs, CT 06269 USA.
EM mu-ping.nieh@ims.uconn.edu
OI Nieh, Mu-Ping/0000-0003-4462-8716; Katsaras, John/0000-0002-8937-4177
FU NSF [CMMI-0952646, CMMI-1131587]; Laboratory Directed Research and
Development Program of Oak Ridge National Laboratory; DOE Office of
Biological and Environmental Research, for the BioSANS instrument at the
ORNL Center for Structural Molecular Biology; UT-Battelle, LLC [DE-AC05-
00OR2275]
FX This work is supported by NSF CMMI-0952646 and NSF CMMI-1131587. JK is
in part supported by the Laboratory Directed Research and Development
Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC,
for the US Department of Energy (DOE) and the Scientific User Facilities
Division, Office of Basic Energy Sciences (BES). This work acknowledges
additional support from the DOE Office of Biological and Environmental
Research, for the BioSANS instrument at the ORNL Center for Structural
Molecular Biology. The facility is managed for DOE by UT-Battelle, LLC
under contract no. DE-AC05- 00OR2275.
NR 24
TC 4
Z9 4
U1 3
U2 15
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 2014
VL 10
IS 28
BP 5055
EP 5060
DI 10.1039/c3sm51761f
PG 6
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA AK7YS
UT WOS:000338644400004
PM 24691415
ER
PT J
AU Moffet, RC
Roodel, TC
Kelly, ST
Yu, XY
Carroll, GT
Fast, J
Zaveri, RA
Laskin, A
Gilles, MK
AF Moffet, R. C.
Roedel, T. C.
Kelly, S. T.
Yu, X. Y.
Carroll, G. T.
Fast, J.
Zaveri, R. A.
Laskin, A.
Gilles, M. K.
TI Spectro-microscopic measurements of carbonaceous aerosol aging in
Central California (vol 13, pg 10445, 2013)
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Correction
C1 [Moffet, R. C.; Roedel, T. C.; Kelly, S. T.; Carroll, G. T.; Gilles, M. K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Moffet, R. C.] Univ Pacific, Dept Chem, Stockton, CA 95211 USA.
[Roedel, T. C.] Univ Wurzburg, Dept Phys, D-97074 Wurzburg, Germany.
[Yu, X. Y.; Fast, J.; Zaveri, R. A.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Laskin, A.] Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA.
RP Moffet, RC (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM rmoffet@pacific.edu
NR 1
TC 0
Z9 0
U1 0
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 2014
VL 14
IS 12
BP 6343
EP 6344
DI 10.5194/acp-14-6343-2014
PG 2
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AK5BH
UT WOS:000338438300030
ER
PT J
AU Ortega, J
Turnipseed, A
Guenther, AB
Karl, TG
Day, DA
Gochis, D
Huffman, JA
Prenni, AJ
Levin, EJT
Kreidenweis, SM
DeMott, PJ
Tobo, Y
Patton, EG
Hodzic, A
Cui, YY
Harley, PC
Hornbrook, RS
Apel, EC
Monson, RK
Eller, ASD
Greenberg, JP
Barth, MC
Campuzano-Jost, P
Palm, BB
Jimenez, JL
Aiken, AC
Dubey, MK
Geron, C
Offenberg, J
Ryan, MG
Fornwalt, PJ
Pryor, SC
Keutsch, FN
DiGangi, JP
Chan, AWH
Goldstein, AH
Wolfe, GM
Kim, S
Kaser, L
Schnitzhofer, R
Hansel, A
Cantrell, CA
Mauldin, RL
Smith, JN
AF Ortega, J.
Turnipseed, A.
Guenther, A. B.
Karl, T. G.
Day, D. A.
Gochis, D.
Huffman, J. A.
Prenni, A. J.
Levin, E. J. T.
Kreidenweis, S. M.
DeMott, P. J.
Tobo, Y.
Patton, E. G.
Hodzic, A.
Cui, Y. Y.
Harley, P. C.
Hornbrook, R. S.
Apel, E. C.
Monson, R. K.
Eller, A. S. D.
Greenberg, J. P.
Barth, M. C.
Campuzano-Jost, P.
Palm, B. B.
Jimenez, J. L.
Aiken, A. C.
Dubey, M. K.
Geron, C.
Offenberg, J.
Ryan, M. G.
Fornwalt, P. J.
Pryor, S. C.
Keutsch, F. N.
DiGangi, J. P.
Chan, A. W. H.
Goldstein, A. H.
Wolfe, G. M.
Kim, S.
Kaser, L.
Schnitzhofer, R.
Hansel, A.
Cantrell, C. A.
Mauldin, R. L.
Smith, J. N.
TI Overview of the Manitou Experimental Forest Observatory: site
description and selected science results from 2008 to 2013
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID PONDEROSA PINE FOREST; BIOLOGICAL AEROSOL-PARTICLES; SECONDARY ORGANIC
AEROSOL; IONIZATION MASS-SPECTROMETRY; ICE NUCLEI POPULATIONS;
MOVI-HRTOF-CIMS; NITROGEN AVAILABILITY; ATMOSPHERIC OXIDATION;
FLAMMULATED OWLS; TROPOSPHERIC HO2
AB The Bio-hydro-atmosphere interactions of Energy, Aerosols, Carbon, H2O, Organics & Nitrogen (BEACHON) project seeks to understand the feedbacks and inter-relationships between hydrology, biogenic emissions, carbon assimilation, aerosol properties, clouds and associated feedbacks within water-limited ecosystems. The Manitou Experimental Forest Observatory (MEFO) was established in 2008 by the National Center for Atmospheric Research to address many of the BEACHON research objectives, and it now provides a fixed field site with significant infrastructure. MEFO is a mountainous, semi-arid ponderosa pine-dominated forest site that is normally dominated by clean continental air but is periodically influenced by anthropogenic sources from Colorado Front Range cities. This article summarizes the past and ongoing research activities at the site, and highlights some of the significant findings that have resulted from these measurements. These activities include
- soil property measurements;
- hydrological studies;
- measurements of high-frequency turbulence parameters;
- eddy covariance flux measurements of water, energy, aerosols and carbon dioxide through the canopy;
- determination of biogenic and anthropogenic volatile organic compound emissions and their influence on regional atmospheric chemistry;
- aerosol number and mass distributions;
- chemical speciation of aerosol particles;
- characterization of ice and cloud condensation nuclei;
- trace gas measurements; and
- model simulations using coupled chemistry and meteorology.
In addition to various long-term continuous measurements, three focused measurement campaigns with state-of-the-art instrumentation have taken place since the site was established, and two of these studies are the subjects of this special issue: BEACHON-ROCS (Rocky Mountain Organic Carbon Study, 2010) and BEACHON-RoMBAS (Rocky Mountain Biogenic Aerosol Study, 2011).
C1 [Ortega, J.; Turnipseed, A.; Guenther, A. B.; Karl, T. G.; Gochis, D.; Patton, E. G.; Hodzic, A.; Harley, P. C.; Hornbrook, R. S.; Apel, E. C.; Greenberg, J. P.; Barth, M. C.; Kim, S.; Cantrell, C. A.; Mauldin, R. L.; Smith, J. N.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
[Day, D. A.; Campuzano-Jost, P.; Palm, B. B.; Jimenez, J. L.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
[Day, D. A.; Campuzano-Jost, P.; Palm, B. B.; Jimenez, J. L.] CIRES, Boulder, CO 80309 USA.
[Huffman, J. A.] Max Planck Inst Chem, D-55020 Mainz, Germany.
[Huffman, J. A.] Univ Denver, Dept Chem & Biochem, Denver, CO 80208 USA.
[Prenni, A. J.; Levin, E. J. T.; Kreidenweis, S. M.; DeMott, P. J.; Tobo, Y.] Colorado State Univ, Dept Atmospher Sci, Ft Collins, CO 80523 USA.
[Cui, Y. Y.] St Louis Univ, Dept Earth & Atmospher Sci, St Louis, MO 63103 USA.
[Monson, R. K.] Univ Arizona, Sch Nat Resources & Environm, Tucson, AZ 85721 USA.
[Monson, R. K.] Univ Arizona, Tree Ring Res Lab, Tucson, AZ 85721 USA.
[Eller, A. S. D.] Univ Colorado, Cooperat Inst Res Environm Sci CIRES, Boulder, CO 80309 USA.
[Aiken, A. C.; Dubey, M. K.] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA.
[Geron, C.] US EPA, Off Res & Dev, Natl Risk Management Res Lab, Air Pollut Prevent & Control Div, Res Triangle Pk, NC 27711 USA.
[Offenberg, J.] US EPA, Off Res & Dev, Natl Exposure Res Lab, Res Triangle Pk, NC 27711 USA.
[Ryan, M. G.] Colorado State Univ, Natl Resource Ecol Lab, Ft Collins, CO 80523 USA.
[Ryan, M. G.; Fornwalt, P. J.] ARS, USDA, Rocky Mt Res Stn, Ft Collins, CO 80526 USA.
[Pryor, S. C.] Indiana Univ, Dept Geol Sci, Bloomington, IN 47405 USA.
[Keutsch, F. N.; DiGangi, J. P.] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA.
[Chan, A. W. H.; Goldstein, A. H.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA.
[Goldstein, A. H.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA.
[Wolfe, G. M.] NASA, Goddard Space Flight Ctr, Atmospher Chem & Dynam Lab, Greenbelt, MD 20771 USA.
[Wolfe, G. M.] Univ Maryland Baltimore Cty, Joint Ctr Earth Syst Technol, Baltimore, MD 21250 USA.
[Kaser, L.; Schnitzhofer, R.; Hansel, A.] Univ Innsbruck, Inst Ion Phys & Appl Phys, A-6020 Innsbruck, Austria.
[Smith, J. N.] Univ Eastern Finland, Dept Appl Phys, Kuopio 70211, Finland.
RP Smith, JN (reprint author), Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA.
EM jimsmith@ucar.edu
RI Guenther, Alex/B-1617-2008; Wolfe, Glenn/D-5289-2011; Hansel,
Armin/F-3915-2010; Aiken, Allison/B-9659-2009; Kreidenweis,
Sonia/E-5993-2011; Chan, Arthur/I-2233-2013; Patton, Edward/K-3607-2012;
DeMott, Paul/C-4389-2011; Levin, Ezra/F-5809-2010; Huffman, J.
Alex/A-7449-2010; Karl, Thomas/D-1891-2009; Tobo, Yutaka/D-9158-2013;
Jimenez, Jose/A-5294-2008; Dubey, Manvendra/E-3949-2010; Offenberg,
John/C-3787-2009; Hodzic, Alma/C-3629-2009; Ryan, Michael/A-9805-2008;
Smith, James/C-5614-2008; Kim, Saewung/E-4089-2012
OI Patton, Edward/0000-0001-5431-9541; Guenther, Alex/0000-0001-6283-8288;
Hansel, Armin/0000-0002-1062-2394; Aiken, Allison/0000-0001-5749-7626;
Kreidenweis, Sonia/0000-0002-2561-2914; Chan,
Arthur/0000-0001-7392-4237; Hornbrook, Rebecca/0000-0002-6304-6554;
DeMott, Paul/0000-0002-3719-1889; Huffman, J. Alex/0000-0002-5363-9516;
Karl, Thomas/0000-0003-2869-9426; Tobo, Yutaka/0000-0003-0951-3315;
Jimenez, Jose/0000-0001-6203-1847; Dubey, Manvendra/0000-0002-3492-790X;
Offenberg, John/0000-0002-0213-4024; Ryan, Michael/0000-0002-2500-6738;
Smith, James/0000-0003-4677-8224;
FU NSF [ATM-0919042, ATM-0919189, ATM-0919317, ATM-1102309, ATM-0852406];
United States Department of Energy [DE-SC0006035, DE-SC00006861]; EC
[334084]; Austrian Science Fund (FWF) [L518-N20]; DOC-fFORTE fellowship
of the Austrian Academy of Science; United States Department of Energy's
Atmospheric System Research [F265, KP1701]; LANL - Laboratory Directed
Research and Development; Max Planck Society (MPG); Geocycles Cluster
Mainz (LEC Rheinland-Pfalz); National Science Foundation
FX The authors would like to acknowledge generous field support from
Richard Oakes (USDA Forest Service, Manitou Experimental Forest Site
Manager). Authors from Colorado State University were supported through
NSF grant ATM-0919042. Authors from the University of Colorado were
supported by NSF grant ATM-0919189 and United States Department of
Energy grant DE-SC0006035. Authors from the National Center for
Atmospheric Research were supported by NSF grant ATM-0919317 and US
Department of Energy grant DE-SC00006861. T. Karl was also supported by
the EC Seventh Framework Programme (Marie Curie Reintegration program,
"ALP-AIR", grant no. 334084). S. C. Pryor (Indiana University) was
supported by NSF ATM-1102309. Authors from the University of Innsbruck
were supported by the Austrian Science Fund (FWF) under project number
L518-N20. L. Kaser was also supported by a DOC-fFORTE fellowship of the
Austrian Academy of Science. Authors from the University of
Wisconsin-Madison were supported by NSF grant ATM-0852406, the BEACHON
project and NASA-SBIR Phase I & II funding. Contributions from Los
Alamos National Laboratory (LANL) were funded by the United States
Department of Energy's Atmospheric System Research (project F265,
KP1701, M. K. Dubey as principal investigator). A. C. Aiken also thanks
LANL - Laboratory Directed Research and Development for a director's
postdoctoral fellowship award. The authors would also like to
acknowledge substantial participation and input from the Max Planck
Institute for Chemistry (MPIC; Mainz, Germany), which was funded by the
Max Planck Society (MPG) and the Geocycles Cluster Mainz (LEC
Rheinland-Pfalz). J. A. Huffman acknowledges internal faculty support
from the University of Denver. The United States Environmental
Protection Agency (EPA), through its Office of Research and Development,
collaborated in the research described here. The manuscript has been
subjected to peer review and has been cleared for publication by the
EPA. Mention of trade names or commercial products does not constitute
endorsement or recommendation for use. The National Center for
Atmospheric Research is sponsored by the National Science Foundation.
Any opinions, findings and conclusions or recommendations expressed in
the publication are those of the authors and do not necessarily reflect
the views of the National Science Foundation or the US Environmental
Protection Agency.
NR 99
TC 25
Z9 25
U1 6
U2 67
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 2014
VL 14
IS 12
BP 6345
EP 6367
DI 10.5194/acp-14-6345-2014
PG 23
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AK5BH
UT WOS:000338438300031
ER
PT J
AU Bufford, D
Pratt, SH
Boyle, TJ
Hattar, K
AF Bufford, Daniel
Pratt, Sarah H.
Boyle, Timothy J.
Hattar, Khalid
TI In situ TEM ion irradiation and implantation effects on Au nanoparticle
morphologies
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID GOLD NANOPARTICLES; NANOTECHNOLOGY; NM
AB Energetic heavy and light ion effects on gold nanoparticles were probed by irradiating 20 and 60 nm diameter nanoparticles with either 3 MeV Cu3+ or 10 keV He+ ions in situ inside of a transmission electron microscope. Both ion species caused sintering, agglomeration, and ablation of the nanoparticles via sputtering, although at different rates.
C1 [Bufford, Daniel; Pratt, Sarah H.; Hattar, Khalid] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Boyle, Timothy J.] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA.
RP Hattar, K (reprint author), Sandia Natl Labs, POB 5800-1056, Albuquerque, NM 87185 USA.
EM khattar@sandia.gov
FU Division of Materials Science and Engineering, Office of Basic Energy
Sciences, U.S. Department of Energy; U.S. Department of Energy's
National Nuclear Security Administration [DE-AC04-94AL85000]
FX The authors thank K. Jungjohann, B. A. Hernadez-Sanchez, A. N. Kinghorn,
J. S. Custer, and D. L. Buller (Sandia National Laboratories) for their
helpful assistance and discussions. This work was supported by the
Division of Materials Science and Engineering, Office of Basic Energy
Sciences, U.S. Department of Energy. Sandia National Laboratories is a
multi-program laboratory managed and operated by Sandia Corporation, a
wholly owned subsidiary of Lockheed Martin Corporation, for the U.S.
Department of Energy's National Nuclear Security Administration under
contract DE-AC04-94AL85000.
NR 17
TC 5
Z9 5
U1 0
U2 27
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 2014
VL 50
IS 57
BP 7593
EP 7596
DI 10.1039/c3cc49479a
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA AK2FH
UT WOS:000338234000004
PM 24584417
ER
PT J
AU Long, K
Goff, G
Runde, W
AF Long, Kristy
Goff, George
Runde, Wolfgang
TI Unusual redox stability of neptunium in the ionic liquid [Hbet][Tf2N]
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID ELECTROCHEMICAL-BEHAVIOR; COMPLEXES; URANIUM; OXIDES; DISSOLUTION;
CHLORIDE; NP(IV); WATER; ACID
AB The behavior of neptunium in the ionic liquid betaine bistriflimide, [Hbet][Tf2N], has been studied spectroscopically at room temperature and 60 degrees C for the first time. An unprecedented complex redox chemistry is observed, with up to three oxidation states (IV, V and VI) and up to six Np species existing simultaneously. Both redox reactions and coordination of betaine are observed for Np(IV), (V) and (VI). Elevating the temperature accelerates the coordination of Np(V) with betaine and reduction reactions slow down.
C1 [Long, Kristy] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Goff, George] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA.
[Runde, Wolfgang] Los Alamos Natl Lab, Sci Program Off, Los Alamos, NM 87545 USA.
RP Runde, W (reprint author), Los Alamos Natl Lab, Sci Program Off, POB 1663, Los Alamos, NM 87545 USA.
EM runde@lanl.gov
FU Los Alamos National Laboratory Directed Research and Development
Program; G. T. Seaborg Institute for Transactinium Science at Los Alamos
National Laboratory
FX The authors gratefully acknowledge the Los Alamos National Laboratory
Directed Research and Development Program and the G.T. Seaborg Institute
for Transactinium Science at Los Alamos National Laboratory for
financial support.
NR 18
TC 3
Z9 3
U1 5
U2 25
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 2014
VL 50
IS 58
BP 7766
EP 7769
DI 10.1039/c4cc01835d
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA AK3BB
UT WOS:000338296300002
PM 24752760
ER
PT J
AU Zhu, X
Mahurin, SM
An, SH
Do-Thanh, CL
Tian, CC
Li, YK
Gill, LW
Hagaman, EW
Bian, ZJ
Zhou, JH
Hu, J
Liu, HL
Dai, S
AF Zhu, Xiang
Mahurin, Shannon M.
An, Shu-Hao
Chi-Linh Do-Thanh
Tian, Chengcheng
Li, Yankai
Gill, Lance W.
Hagaman, Edward W.
Bian, Zijun
Zhou, Jian-Hai
Hu, Jun
Liu, Honglai
Dai, Sheng
TI Efficient CO2 capture by a task-specific porous organic polymer
bifunctionalized with carbazole and triazine groups
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID CARBON-DIOXIDE CAPTURE; BENZIMIDAZOLE-LINKED POLYMERS; MICROPOROUS
POLYMERS; AROMATIC FRAMEWORKS; GAS-STORAGE; NETWORKS; SELECTIVITY;
ADSORPTION; SEPARATION; MEMBRANES
AB A porous triazine and carbazole bifunctionalized task-specific polymer has been synthesized via a facile Friedel-Crafts reaction. The resultant porous framework exhibits excellent CO2 uptake (18.0 wt%, 273 K and 1 bar) and good adsorption selectivity for CO2 over N-2.
C1 [Zhu, Xiang; An, Shu-Hao; Tian, Chengcheng; Li, Yankai; Bian, Zijun; Zhou, Jian-Hai; Hu, Jun; Liu, Honglai] E China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China.
[Zhu, Xiang; An, Shu-Hao; Tian, Chengcheng; Li, Yankai; Bian, Zijun; Zhou, Jian-Hai; Hu, Jun; Liu, Honglai] E China Univ Sci & Technol, Dept Chem, Shanghai 200237, Peoples R China.
[Zhu, Xiang; Mahurin, Shannon M.; Tian, Chengcheng; Gill, Lance W.; Hagaman, Edward W.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Chi-Linh Do-Thanh; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37916 USA.
RP Liu, HL (reprint author), E China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China.
EM hlliu@ecust.edu.cn; dais@ornl.gov
RI Zhu, Xiang/P-6867-2014; Dai, Sheng/K-8411-2015;
OI Zhu, Xiang/0000-0002-3973-4998; Dai, Sheng/0000-0002-8046-3931;
Do-Thanh, Chi-Linh/0000-0003-2263-8331
FU National Basic Research Program of China [2013CB733501]; National
Natural Science Foundation of China [91334203, 21176066]; 111 Project of
China [B08021]; Fundamental Research Funds for the Central Universities
of China; U.S. Department of Energy, Office of Science, Basic Energy
Sciences, Chemical Sciences, Geosciences, and Biosciences Division
FX XZ, JH and HLL thank the National Basic Research Program of China
(2013CB733501), the National Natural Science Foundation of China (No.
91334203, 21176066), the 111 Project of China (No. B08021) and the
Fundamental Research Funds for the Central Universities of China. This
work was also supported by the U.S. Department of Energy, Office of
Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and
Biosciences Division.
NR 25
TC 63
Z9 64
U1 17
U2 142
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 2014
VL 50
IS 59
BP 7933
EP 7936
DI 10.1039/c4cc01588f
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA AK5BU
UT WOS:000338439700003
PM 24825501
ER
PT J
AU Park, YS
Kale, TS
Nam, CY
Choi, D
Grubbs, RB
AF Park, Y. S.
Kale, T. S.
Nam, C. -Y.
Choi, D.
Grubbs, R. B.
TI Effects of heteroatom substitution in conjugated heterocyclic compounds
on photovoltaic performance: from sulfur to tellurium
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID HETEROJUNCTION SOLAR-CELLS; POLYMER; EFFICIENCY; SEMICONDUCTORS;
TRANSISTORS; DESIGN; UNIT
AB We report a general strategy for fine-tuning the bandgap of donor-acceptor-donor based organic molecules by modulating the electron-donating ability of the donor moiety by changing the benzochalcogenophene donor groups from benzothiophenes to benzoselenophenes to benzotellurophenes. These molecules show red-shifts in absorption and external quantum efficiency maxima from sulfur to selenium to tellurium. In bulk heterojunction solar cell devices, the benzoselenophene derivative shows a power conversion efficiency as high as 5.8% with PC61BM as the electron acceptor.
C1 [Park, Y. S.; Kale, T. S.; Nam, C. -Y.; Grubbs, R. B.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Choi, D.; Grubbs, R. B.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
RP Grubbs, RB (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
EM robert.grubbs@stonybrook.edu
RI Nam, Chang-Yong/D-4193-2009
OI Nam, Chang-Yong/0000-0002-9093-4063
FU U.S. Department of Energy, Office of Basic Energy Sciences
[DE-AC-02-98CH10886]; BNL Laboratory Directed Research and Development
Award [09-003]; Proteomic Center, Stony Brook University, Shared
Instrumentation [NIH/NCRR 1 S10 RR023680-1]
FX This research was carried out at the Center for Functional
Nanomaterials, Brookhaven National Laboratory, which is supported by the
U.S. Department of Energy, Office of Basic Energy Sciences, under
Contract No. DE-AC-02-98CH10886. This research was also supported by the
BNL Laboratory Directed Research and Development Award 09-003. Mass
spectrometry was performed at the Proteomic Center, Stony Brook
University, Shared Instrumentation Grant NIH/NCRR 1 S10 RR023680-1.
NR 27
TC 24
Z9 24
U1 5
U2 22
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 2014
VL 50
IS 59
BP 7964
EP 7967
DI 10.1039/c4cc01862a
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA AK5BU
UT WOS:000338439700011
PM 24842497
ER
PT J
AU Donev, A
Nonaka, A
Sun, YF
Fai, TG
Garcia, AL
Bell, JB
AF Donev, Aleksandar
Nonaka, Andy
Sun, Yifei
Fai, Thomas G.
Garcia, Alejandro L.
Bell, John B.
TI LOW MACH NUMBER FLUCTUATING HYDRODYNAMICS OF DIFFUSIVELY MIXING FLUIDS
SO COMMUNICATIONS IN APPLIED MATHEMATICS AND COMPUTATIONAL SCIENCE
LA English
DT Article
DE fluctuating hydrodynamics; low Mach expansion; molecular dynamics; giant
fluctuations
ID NAVIER-STOKES EQUATIONS; MOLECULAR-DYNAMICS SIMULATION; NONSPHERICAL
HARD PARTICLES; ADAPTIVE PROJECTION METHOD; FINITE-DIFFERENCE SCHEMES;
ADIABATIC ELIMINATION; INCOMPRESSIBLE-FLOW; STOCHASTIC-SYSTEMS; DRIVEN;
SHEAR
AB We formulate low Mach number fluctuating hydrodynamic equations appropriate for modeling diffusive mixing in isothermal mixtures of fluids with different density and transport coefficients. These equations represent a coarse-graining of the microscopic dynamics of the fluid molecules in both space and time and eliminate the fluctuations in pressure associated with the propagation of sound waves by replacing the equation of state with a local thermodynamic constraint. We demonstrate that the low Mach number model preserves the spatiotemporal spectrum of the slower diffusive fluctuations. We develop a strictly conservative finite-volume spatial discretization of the low Mach number fluctuating equations in both two and three dimensions and construct several explicit Runge-Kutta temporal integrators that strictly maintain the equation-of-state constraint. The resulting spatiotemporal discretization is second-order accurate deterministically and maintains fluctuation-dissipation balance in the linearized stochastic equations. We apply our algorithms to model the development of giant concentration fluctuations in the presence of concentration gradients and investigate the validity of common simplifications such as neglecting the spatial nonhomogeneity of density and transport properties. We perform simulations of diffusive mixing of two fluids of different densities in two dimensions and compare the results of low Mach number continuum simulations to hard-disk molecular-dynamics simulations. Excellent agreement is observed between the particle and continuum simulations of giant fluctuations during time-dependent diffusive mixing.
C1 [Donev, Aleksandar; Sun, Yifei; Fai, Thomas G.] NYU, Courant Inst Math Sci, New York, NY 10012 USA.
[Nonaka, Andy; Bell, John B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA.
[Sun, Yifei] NYU, Sch Med, Dept Med, Leon H Charney Div Cardiol, New York, NY 10016 USA.
[Garcia, Alejandro L.] San Jose State Univ, Dept Phys & Astron, San Jose, CA 95192 USA.
RP Donev, A (reprint author), NYU, Courant Inst Math Sci, 251 Mercer St, New York, NY 10012 USA.
EM donev@courant.nyu.edu; ajnonaka@lbl.gov; yifei@cims.nyu.edu;
tfai@cims.nyu.edu; alejandro.garcia@sjsu.edu; jbbell@lbl.gov
FU DOE Applied Mathematics Program of the DOE Office of Advanced Scientific
Computing Research under the U.S. Department of Energy
[DE-AC02-05CH11231]; National Science Foundation [DMS-1115341, OCI
1047734]; Office of Science of the U.S. Department of Energy through an
Early Career Award [DE-SC0008271]; DOE Computational Science Graduate
Fellowship [DE-FG02-97ER25308]
FX We would like to thank Boycc Griffith and Mingchao Cai for helpful
comments. J. Bell, A. Nonaka, and A. Garcia were supported by the DOE
Applied Mathematics Program of the DOE Office of Advanced Scientific
Computing Research under the U.S. Department of Energy under contract
number DE-AC02-05CH11231. A. Donev was supported in part by the National
Science Foundation under grant DMS-1115341 and the Office of Science of
the U.S. Department of Energy through an Early Career Award (number
DE-SC0008271). T. Fai wishes to acknowledge the support of the DOE
Computational Science Graduate Fellowship under grant number
DE-FG02-97ER25308. Y. Sun was supported by the National Science
Foundation under award OCI 1047734.
NR 79
TC 12
Z9 12
U1 1
U2 3
PU MATHEMATICAL SCIENCE PUBL
PI BERKELEY
PA UNIV CALIFORNIA, DEPT MATHEMATICS, BERKELEY, CA 94720-3840 USA
SN 1559-3940
EI 2157-5452
J9 COMM APP MATH COM SC
JI Commun. Appl. Math. Comput. Sci.
PY 2014
VL 9
IS 1
BP 47
EP 105
DI 10.2140/camcos.2014.9.47
PG 59
WC Mathematics, Applied; Physics, Mathematical
SC Mathematics; Physics
GA AK4WL
UT WOS:000338424900002
ER
PT J
AU Saye, RI
AF Saye, Robert I.
TI HIGH-ORDER METHODS FOR COMPUTING DISTANCES TO IMPLICITLY DEFINED
SURFACES
SO COMMUNICATIONS IN APPLIED MATHEMATICS AND COMPUTATIONAL SCIENCE
LA English
DT Article
DE implicit surfaces; closest point; level set methods; reinitialisation;
redistancing; high-order
ID LEVEL SET METHODS; PARTIAL-DIFFERENTIAL-EQUATIONS; PROPAGATING
INTERFACES; FLOW; FRONTS
AB Implicitly embedding a surface as a level set of a scalar function phi : R-d -> R is a powerful technique for computing and manipulating surface geometry. A variety of applications, e.g., level set methods for tracking evolving interfaces, require accurate approximations of minimum distances to or closest points on implicitly defined surfaces. In this paper, we present an efficient method for calculating high-order approximations of closest points on implicit surfaces, applicable to both structured and unstructured meshes in any number of spatial dimensions. In combination with a high-order approximation of phi, the algorithm uses a rapidly converging Newton's method initialised with a guess of the closest point determined by an automatically generated point cloud approximating the surface. In general, the order of accuracy of the algorithm increases with the approximation order of phi. We demonstrate orders of accuracy up to six for smooth problems, while nonsmooth problems reliably reduce to their expected order of accuracy. Accompanying this paper is C++ code that can be used to implement the algorithms in a variety of settings.
C1 [Saye, Robert I.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Saye, Robert I.] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA.
RP Saye, RI (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, One Cyclotron Rd,MS 50A-1148, Berkeley, CA 94720 USA.
EM rsaye@lbl.gov
FU Luis W. Alvarez Postdoctoral Fellowship at Lawrence Berkeley National
Laboratory; Laboratory Directed Research and Development Program of
LBNL; U.S. DOE Office of Advanced Scientific Computing Research
[DE-AC02-05CH11231]
FX The author thanks Ben Preskill and Ethan Van Andel at UC Berkeley for
their helpful feedback in testing the C++ code as part of their work on
advanced level set methods for inextensible and elastic surfaces. This
research was supported in part by a Luis W. Alvarez Postdoctoral
Fellowship at Lawrence Berkeley National Laboratory, the Laboratory
Directed Research and Development Program of LBNL, and by the Applied
Mathematics Program of the U.S. DOE Office of Advanced Scientific
Computing Research under contract number DE-AC02-05CH11231.
NR 33
TC 3
Z9 3
U1 2
U2 4
PU MATHEMATICAL SCIENCE PUBL
PI BERKELEY
PA UNIV CALIFORNIA, DEPT MATHEMATICS, BERKELEY, CA 94720-3840 USA
SN 1559-3940
EI 2157-5452
J9 COMM APP MATH COM SC
JI Commun. Appl. Math. Comput. Sci.
PY 2014
VL 9
IS 1
BP 107
EP 141
DI 10.2140/camcos.2014.9.107
PG 35
WC Mathematics, Applied; Physics, Mathematical
SC Mathematics; Physics
GA AK4WL
UT WOS:000338424900003
ER
PT J
AU Mohideen, MI
Allan, PK
Chapman, KW
Hriljac, JA
Morris, RE
AF Mohideen, M. Infas
Allan, Phoebe K.
Chapman, Karena W.
Hriljac, Joseph A.
Morris, Russell E.
TI Ultrasound-driven preparation and pair distribution function-assisted
structure solution of a copper-based layered coordination polymer
SO DALTON TRANSACTIONS
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; POWDER DIFFRACTION; SINGLE-CRYSTAL;
TRANSFORMATION; SEPARATIONS; ADSORPTION; STORAGE; MOFS
AB Nanoparticles of a copper-based layered coordination polymer, STAM-2, have been prepared via an ultrasound mediated transformation from a layered metal-organic framework, STAM-1. The structure of the material was then solved using pair distribution function analysis to identify the structural units present and the final structural model refined against the pair distribution function data.
C1 [Mohideen, M. Infas; Allan, Phoebe K.; Morris, Russell E.] Univ St Andrews, EaStCHEM Sch Chem, St Andrews KY16 9ST, Fife, Scotland.
[Chapman, Karena W.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
[Hriljac, Joseph A.] Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England.
RP Morris, RE (reprint author), Univ St Andrews, EaStCHEM Sch Chem, St Andrews KY16 9ST, Fife, Scotland.
EM rem1@st-and.ac.uk
RI Morris, Russell/G-4285-2010
OI Morris, Russell/0000-0001-7809-0315
FU EPSRC [EP/K005499/1]; U.S. DOE [DE-AC02-06CH11357]; Royal Society
FX This work was partially funded by the EPSRC under grant number
EP/K005499/1. Work done at Argonne and 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. R.E.M. thanks Dr Stacey Zones and Professor Enrique
Iglesia for hosting a research stay at the University of California
Berkeley. R.E.M. also thanks the Royal Society an Industry Fellowship.
NR 33
TC 4
Z9 4
U1 1
U2 21
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 2014
VL 43
IS 27
BP 10438
EP 10442
DI 10.1039/c3dt53124d
PG 5
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA AK0PR
UT WOS:000338117200014
PM 24310447
ER
PT J
AU Razzaghi, H
Tinker, SC
AF Razzaghi, Hilda
Tinker, Sarah C.
TI Seafood consumption among pregnant and non-pregnant women of
childbearing age in the United States, NHANES 1999-2006
SO FOOD & NUTRITION RESEARCH
LA English
DT Article
DE pregnant; fish; seafood; NHANES; mercury
ID MATERNAL FISH INTAKE; PROSPECTIVE COHORT; US COHORT; METHYLMERCURY;
EXPOSURE; OUTCOMES; CHILDREN; MERCURY; CHILDHOOD; COGNITION
AB Objectives: Long-chain polyunsaturated fatty acids found in seafood are essential for optimal neurodevelopment of the fetus. However, concerns about mercury contamination of seafood and its potential harm to the developing fetus have created uncertainty about seafood consumption for pregnant women. We compared fish and shellfish consumption patterns, as well as their predictors, among pregnant and non-pregnant women of childbearing age in the US.
Methods: Data from 1,260 pregnant and 5,848 non-pregnant women aged 16-49 years from the 1999 to 2006 National Health and Nutrition Examination Survey (NHANES) were analyzed. Frequency and type of seafood consumed and adjusted associations of multiple characteristics with seafood consumption were estimated for pregnant and non-pregnant women, separately. Time trends were also examined.
Results: There were no significant differences in the prevalence of fish or shellfish consumption, separately or combined, between pregnant and non-pregnant women using either the 30-day questionnaire or the Day 1, 24-h recall. Seafood consumption was associated with higher age, income, and education among pregnant and non-pregnant women, and among fish consumers these groups were more likely to consume >= 3 servings in the past 30 days. Tuna and shrimp were the most frequently reported fish and shellfish, respectively, among both pregnant and non-pregnant women. We observed no significant time trends.
Conclusion: There were no differences in seafood consumption between pregnant and non-pregnant women, and the factors related to seafood consumption were similar for both groups. Our data suggest that many women consume less than the recommended two servings of seafood a week.
C1 [Razzaghi, Hilda; Tinker, Sarah C.] CDC, Ctr Dis Control & Prevent, Natl Ctr Birth Defects & Dev Disabil, Atlanta, GA 30333 USA.
[Razzaghi, Hilda] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA.
RP Razzaghi, H (reprint author), 1600 Clifton Rd,Mail Stop E86, Atlanta, GA 30345 USA.
EM hir2@cdc.gov
FU appointment to the Research Participation program for the Centers for
Disease Control and Prevention
FX H.R. was supported by an appointment to the Research Participation
program for the Centers for Disease Control and Prevention administered
by the Oak Ridge Institute for Science and Education through an
agreement between the Department of Energy and CDC.
NR 31
TC 1
Z9 1
U1 0
U2 6
PU CO-ACTION PUBLISHING
PI JARFALLA
PA RIPVAGEN 7, JARFALLA, SE-175 64, SWEDEN
SN 1654-6628
EI 1654-661X
J9 FOOD NUTR RES
JI Food Nutr. Res.
PY 2014
VL 58
AR 23287
DI 10.3402/fnr.v58.23287
PG 9
WC Food Science & Technology; Nutrition & Dietetics
SC Food Science & Technology; Nutrition & Dietetics
GA AK3UJ
UT WOS:000338349900001
ER
PT J
AU Sahu, G
Rangasamy, E
Li, JC
Chen, Y
An, K
Dudney, N
Liang, CD
AF Sahu, Gayatri
Rangasamy, Ezhiylmurugan
Li, Juchuan
Chen, Yan
An, Ke
Dudney, Nancy
Liang, Chengdu
TI A high-conduction Ge substituted Li3AsS4 solid electrolyte with
exceptional low activation energy
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID LITHIUM SUPERIONIC CONDUCTOR; IONIC-CONDUCTIVITY; THIO-LISICON; SYSTEM;
BATTERIES
AB Lithium-ion conducting solid electrolytes show potential to enable high-energy-density secondary batteries and offer distinctive safety features as an advantage over traditional liquid electrolytes. Achieving the combination of high ionic conductivity, low activation energy, and outstanding electrochemical stability in crystalline solid electrolytes is a challenge for the synthesis of novel solid electrolytes. Herein we report an exceptionally low activation energy (E-a) and high room temperature superionic conductivity via facile aliovalent substitution of Li3AsS4 by Ge, which increased the conductivity by two orders of magnitude as compared with the parent compound. The composition Li3.334Ge0.334As0.666S4 has a high ionic conductivity of 1.12 mS cm(-1) at 27 degrees C. Local Li+ hopping in this material is accompanied by a distinctive low activation energy E-a of 0.17 eV, being the lowest of Li+ solid conductors. Furthermore, this study demonstrates the efficacy of surface passivation of solid electrolyte to achieve compatibility with metallic lithium electrodes.
C1 [Sahu, Gayatri; Rangasamy, Ezhiylmurugan; Liang, Chengdu] Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Li, Juchuan; Dudney, Nancy] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Chen, Yan; An, Ke] Oak Ridge Natl Lab, Spallat Neutron Sources, Oak Ridge, TN 37831 USA.
RP Liang, CD (reprint author), Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
EM liangcn@ornl.gov
RI An, Ke/G-5226-2011; Chen, Yan/H-4913-2014; Li, Juchuan/A-2992-2009
OI An, Ke/0000-0002-6093-429X; Chen, Yan/0000-0001-6095-1754; Li,
Juchuan/0000-0002-6587-5591
FU Division of Materials Sciences and Engineering, Office of Basic Energy
Sciences US Department of Energy (DOE); Scientific User Facilities
Division, US DOE
FX This work was sponsored by the Division of Materials Sciences and
Engineering, Office of Basic Energy Sciences US Department of Energy
(DOE). The synthesis and characterization of materials were conducted at
the Center for Nanophase Materials Sciences, which is sponsored at Oak
Ridge National Laboratory by the Scientific User Facilities Division, US
DOE.
NR 22
TC 16
Z9 16
U1 5
U2 60
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
EI 2050-7496
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2014
VL 2
IS 27
BP 10396
EP 10403
DI 10.1039/c4ta01243g
PG 8
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA AK0SF
UT WOS:000338124500011
ER
PT J
AU Li, Q
Cao, RG
Cho, J
Wu, G
AF Li, Qing
Cao, Ruiguo
Cho, Jaephil
Wu, Gang
TI Nanostructured carbon-based cathode catalysts for nonaqueous
lithium-oxygen batteries
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID NITROGEN-DOPED GRAPHENE; RECHARGEABLE LI-O-2 BATTERIES; METAL-AIR
BATTERIES; MEMBRANE FUEL-CELLS; HIGHLY EFFICIENT ELECTROCATALYST;
ONION-LIKE CARBON; REDUCTION REACTION; LI-AIR; ELECTROCHEMICAL
PERFORMANCE; NANOFIBER ELECTRODES
AB Although lithium-ion batteries are traditionally considered to be the most promising candidate for electrochemical energy storage owing to their relatively long cycle life and high energy efficiency, their limited energy density as well as high cost are still causing a bottleneck for their long-term applications. Alternatively, rechargeable Li-O-2 batteries have the potential to practically provide 3-5 times the gravimetric energy density of conventional Li-ion batteries. However, the lack of advanced electrode design and efficient electrocatalysts for oxygen reduction-evolution reactions remains as one of the grand challenges before this technology can be commercialized. Among various catalyst formulations, nanocarbon composite materials have been recognized as the most promising ones for Li-O2 batteries because of their reasonable balance among catalytic activity, durability, and cost. In this perspective, the recent progress in the development of nanostructured carbon-based electrocatalysts for nonaqueous Li-O-2 batteries is discussed, including metal-free carbon catalysts, transition-metal-nitrogen-carbon composite catalysts, and transition-metal-compounds/nanocarbon catalysts. The morphology-performance correlations of these catalysts are highlighted, aiming to provide guidance for rationally designing advanced catalysts.
C1 [Li, Qing; Wu, Gang] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
[Cao, Ruiguo; Cho, Jaephil] Ulsan Natl Inst Sci & Technol, Interdisciplinary Sch Green Energy, Ulsan 689798, South Korea.
RP Cho, J (reprint author), Ulsan Natl Inst Sci & Technol, Interdisciplinary Sch Green Energy, Ulsan 689798, South Korea.
EM jpcho@unist.ac.kr; wugang@lanl.gov
RI Wu, Gang/E-8536-2010; Cho, Jaephil/E-4265-2010; Li, Qing/G-4502-2011;
Cao, Ruiguo/O-7354-2016
OI Wu, Gang/0000-0003-4956-5208; Li, Qing/0000-0003-4807-030X;
FU Los Alamos National Laboratory Early Career Laboratory-Directed Research
and Development (LDRD) Program [20110483ER]; MSIP (Ministry of Science,
ICT & Future Planning), Korea, under the C-ITRC (Convergence Information
Technology Research Center) support program [NIPA-2013-H0301-13-1009]
FX Financial support from the Los Alamos National Laboratory Early Career
Laboratory-Directed Research and Development (LDRD) Program (20110483ER)
for this work is gratefully acknowledged. This research was also
supported by the MSIP (Ministry of Science, ICT & Future Planning),
Korea, under the C-ITRC (Convergence Information Technology Research
Center) support program (NIPA-2013-H0301-13-1009) supervised by the NIPA
(National IT Industry Promotion Agency).
NR 133
TC 49
Z9 50
U1 15
U2 202
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 27
BP 13568
EP 13582
DI 10.1039/c4cp00225c
PG 15
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AK0PN
UT WOS:000338116700002
PM 24715024
ER
PT J
AU Hudson, CM
Williams, KP
Kelly, DP
AF Hudson, Corey M.
Williams, Kelly P.
Kelly, Donovan P.
TI Definitive Assignment by Multigenome Analysis of the
Gammaproteobacterial Genus Thermithiobacillus to the Class
Acidithiobacillia
SO POLISH JOURNAL OF MICROBIOLOGY
LA English
DT Article
DE Thermithiobacillus; Acidithiobacillus; Acidithiobacillia; multigenome
phylogeny; multiprotein analysis
ID THIOBACILLUS-TEPIDARIUS; NOV.
AB The class Acidithiobacillia was established using multiprotein phylogenetic analysis of all the available genomes of the genus Acidithiobacillus (comprising Family I, the Acidithiobacillaceae, of the Acidithiobacillales, the order created for Bergey's Manual of Systematic Bacteriology), and for representative genomes of all available bacterial orders. The Acidithiobacillales contain a second family, the Thermithiobacillaceae, represented by Thermithiobacillus tepidarius, and created on the basis of nearest neighbour 16S ribosomal RNA gene sequence similarities. This could not be included in the original multiprotein analysis as no genome sequence for Thermithiobacillus was available. The publication of the genome sequence of Thermithiobacillus tepidarius in 2013 has enabled phylogenetic assessment of this organism by comparative multigenome analysis. This shows definitively that Thermithiobacillus is a member of the class Acidithiobacillia, distinct from the Acidithiobacillus genus, and confirms it to represent a second family within the Acidithiobacillia.
C1 [Hudson, Corey M.; Williams, Kelly P.] Sandia Natl Labs, Dept Syst Biol, Livermore, CA 94551 USA.
[Kelly, Donovan P.] Univ Warwick, Sch Life Sci, Coventry CV4 7AL, W Midlands, England.
RP Kelly, DP (reprint author), Univ Warwick, Sch Life Sci, Coventry CV4 7AL, W Midlands, England.
EM D.P.Kelly@warwick.ac.uk
FU Laboratory Directed Research and Development award; Lockheed Martin
Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration [DE-AC04-94AL85000]
FX Work at Sandia was supported by a Laboratory Directed Research and
Development award. 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 16
TC 2
Z9 2
U1 1
U2 4
PU POLSKIE TOWARZYSTWO MIKROBIOLOGOW-POLISH SOCIETY OF MICROBIOLOGISTS
PI WARSAW
PA CHELMSKA STR 30-34, WARSAW, 00-725, POLAND
SN 1733-1331
J9 POL J MICROBIOL
JI Pol. J. Microbiol.
PY 2014
VL 63
IS 2
BP 245
EP 247
PG 3
WC Microbiology
SC Microbiology
GA AK5TE
UT WOS:000338488500015
PM 25115120
ER
PT S
AU Adams, CD
Anderson, WW
Blumenthaland, WR
Gray, GT
AF Adams, C. D.
Anderson, W. W.
Blumenthaland, W. R.
Gray, G. T., III
BE Buttler, W
Furlanetto, M
Evans, W
TI Elastic precursor decay in S-200F beryllium
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID STRAIN-RATE; BEHAVIOR
AB We have performed a series of plate impact experiments on vacuum hot-pressed (VHP) S-200F Be at peak shock stresses between 2.1 and 23.0 GPa to gain insight into the dynamic strength (Hugoniot elastic limit (HEL)), equation-of-state, and damage behavior of this technologically important material. In this paper we focus on our VISAR observations of the evolution of elastic precursor amplitude with Be target thickness in a series of plate impact experiments conducted in both transmission and reverse geometry. We observe monotonic decay in precursor amplitude with run distance for sample thicknesses between 4 and 8 mm and present the HEL values obtained from these experiments. We will discuss the observed precursor decay with respect to the relative roles of twinning and dislocation-mediated slip in the overall dynamic material mechanical response.
C1 [Adams, C. D.; Anderson, W. W.; Blumenthaland, W. R.; Gray, G. T., III] Los Alamos Natl Lab, Los Alamos, NM 87544 USA.
RP Adams, CD (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87544 USA.
EM cadams@lanl.gov
NR 5
TC 1
Z9 1
U1 1
U2 6
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 500
AR 112001
DI 10.1088/1742-6596/500/11/112001
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900103
ER
PT S
AU Alexander, CS
Key, CT
Schumacher, SC
AF Alexander, C. S.
Key, C. T.
Schumacher, S. C.
BE Buttler, W
Furlanetto, M
Evans, W
TI Improved understanding of the dynamic response in anisotropic
directional composite materials through the combination of experiments
and modeling
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
AB Recently there has been renewed interest in the dynamic response of composite materials; specifically low density epoxy matrix binders strengthened with continuous reinforcing fibers. This is in part due to the widespread use of carbon fiber composites in military, commercial, industrial, and aerospace applications. The design community requires better understanding of these materials in order to make full use of their unique properties. Planar impact testing was performed resulting in pressures up to 15 GPa on a unidirectional carbon fiber - epoxy composite, engineered to have high uniformity and low porosity. Results illustrate the anisotropic nature of the response under shock loading. Along the fiber direction, a two-wave structure similar to typical elastic-plastic response is observed, however, when shocked transverse to the fibers, only a single bulk shock wave is detected. At higher pressures, the epoxy matrix dissociates resulting in a loss of anisotropy. Greater understanding of the mechanisms responsible for the observed response has been achieved through numerical modeling of the system at the micromechanical level using the CTH hydrocode. From the simulation results it is evident that the observed two-wave structure in the longitudinal fiber direction is the result of a fast moving elastic precursor wave traveling in the carbon fibers ahead of the bulk response in the epoxy resin. Similarly, in the transverse direction, results show a collapse of the resin component consistent with the experimental observation of a single shock wave traveling at speeds associated with bulk carbon. Experimental and simulation results will be discussed and used to show where additional mechanisms, not fully described by the currently used models, are present.
C1 [Alexander, C. S.; Schumacher, S. C.] Sandia Natl Labs, POB 5800,MS-1195, Albuquerque, NM 87185 USA.
[Key, C. T.] HI TEST Labs, Appl Technol Grp, Arvonia, VA 23004 USA.
RP Alexander, CS (reprint author), Sandia Natl Labs, POB 5800,MS-1195, Albuquerque, NM 87185 USA.
EM calexa@sandia.gov
FU U. S. Department of Energy's National Nuclear Security Administration
[DE- AC04- 94AL85000]
FX Sandia National Laboratories is a multi- program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U. S. Department of Energy's National
Nuclear Security Administration under contract DE- AC04- 94AL85000.
NR 6
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 2014
VL 500
AR UNSP 112002
DI 10.1088/1742-6596/500/11/112002
PG 8
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900104
ER
PT S
AU Anderson, EK
Aslam, TD
Jackson, SI
AF Anderson, E. K.
Aslam, T. D.
Jackson, S. I.
BE Buttler, W
Furlanetto, M
Evans, W
TI Transverse initiation of an insensitive explosive in a layered slab
geometry: initiation modes
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
AB Experiments are presented that explore the shock initiating layer dynamics in an insensitive high explosive. Tests were conducted with a PBX 9502 (95% TATB, 5% Kel-F 800) slab bonded on one side to a PBX 9501 (95% HMX, 2.5% Estane, 2.5% BDNPAF) slab. For each test, a planar detonation in the PBX 9501 was generated to drive a shock intended to initiate the PBX 9502. Shocks of sufficient strength generated a region of delayed reaction in the PBX 9502 immediately adjacent to the PBX9501. Slow reactions in this region coupled energy with the initial shock resulting in a transition to detonation further from the 9501/9502 interface, a process analogous to the run-up to detonation in shocked one-dimensional (1D) explosive configurations. The thickness of the PBX 9501 layer was varied to control the strength and duration of the transmitted shock. Phase velocities at the explosive outer surfaces and wave-front breakout shapes are reported and discussed.
C1 [Anderson, E. K.; Aslam, T. D.; Jackson, S. I.] LANL, Shock & Detonat Phys Grp, Los Alamos, NM 87545 USA.
RP Anderson, EK (reprint author), LANL, Shock & Detonat Phys Grp, WX-9, Los Alamos, NM 87545 USA.
EM eanderson@lanl.gov
OI Jackson, Scott/0000-0002-6814-3468; Aslam, Tariq/0000-0002-4263-0401;
Anderson, Eric/0000-0002-5309-5686
NR 3
TC 0
Z9 0
U1 0
U2 4
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 500
AR 052001
DI 10.1088/1742-6596/500/5/052001
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900035
ER
PT S
AU Anderson, WW
Jensen, BJ
Cherne, FJ
Owens, CT
Ramos, KJ
Lieber, MA
AF Anderson, W. W.
Jensen, B. J.
Cherne, F. J.
Owens, C. T.
Ramos, K. J.
Lieber, M. A.
BE Buttler, W
Furlanetto, M
Evans, W
TI Enhancing impact velocity with shock interactions in a restricting die
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
AB Shock compression and impact studies could benefit from the ability to increase impact velocities that can be achieved with gun systems. Single-stage guns have modest performance (0.2-2 km/s) that limits their utility for high-pressure and high-velocity studies, while more capable systems are expensive and complex. We are developing a technique that uses a low-strength sabot with a tapered die to increase the impact velocity without modifying the gun itself. Impact of the projectile with the die generates a converging shock wave in the sabot that acts to accelerate the front of the projectile, while decelerating the rear portion. Preliminary experiments using this technique have observed a velocity enhancement of up to a factor of two.
C1 [Anderson, W. W.; Jensen, B. J.; Cherne, F. J.; Owens, C. T.; Ramos, K. J.; Lieber, M. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Anderson, WW (reprint author), Los Alamos Natl Lab, WX 9,MS P952, Los Alamos, NM 87545 USA.
EM wvanderson@lanl.gov
OI Cherne, Frank/0000-0002-8589-6058
NR 3
TC 0
Z9 0
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 2014
VL 500
AR 142001
DI 10.1088/1742-6596/500/14/142001
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900181
ER
PT S
AU Ao, T
Harding, EC
Bailey, JE
Desjarlais, MP
Hansen, SB
Lemke, RW
Rochau, GA
Sinars, DB
Smith, IC
Geissel, M
Reneker, J
Kernaghan, MD
Mix, LP
Wenger, DF
AF Ao, T.
Harding, E. C.
Bailey, J. E.
Desjarlais, M. P.
Hansen, S. B.
Lemke, R. W.
Rochau, G. A.
Sinars, D. B.
Smith, I. C.
Geissel, M.
Reneker, J.
Kernaghan, M. D.
Mix, L. P.
Wenger, D. F.
BE Buttler, W
Furlanetto, M
Evans, W
TI Progress toward x-ray Thomson scattering of warm dense matter on the Z
accelerator
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID GIANT PLANETS; EQUATION; PLASMAS; SYSTEM; STATE
AB Experiments on the Z accelerator have demonstrated the ability to produce warm dense matter (WDM) states with unprecedented uniformity, duration, and size. Significant progress to combine x-ray Thomson scattering (XRTS), a powerful diagnostic for WDM, with the unique environments created at Z has been accomplished. The large current of Z is used to magnetically launch Al flyers to impact CH2 foam (0.12 g/cm(3)) samples. The uniformlyshocked CH2 foam volume is about 10 mm3 and the steady shock state lasts up to about 100 ns, which are approximately 1000 & 100 times larger, respectively, than typical laser shocked samples. The Z-Beamlet laser irradiates a 5,u,m thick Mn foil near the load to generate 6.181 keV Mn-He-c x x-rays that penetrate into the CH2 foam and scatter from it. A high sensitivity x-ray scattering spherical spectrometer with both high spatial and spectral resolution is fielded, which enables benchmark quality data by simultaneously measuring x-rays scattered from shocked and ambient regions of the CH2 foam, and the Mn x-ray source. Experimental efforts have achieved low x-ray background and mitigation of load debris, and measured high quality XRTS data of ambient CH2 foam have validated the technique.
C1 [Ao, T.; Harding, E. C.; Bailey, J. E.; Desjarlais, M. P.; Hansen, S. B.; Lemke, R. W.; Rochau, G. A.; Sinars, D. B.; Smith, I. C.; Geissel, M.; Reneker, J.; Kernaghan, M. D.; Mix, L. P.; Wenger, D. F.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Ao, T (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM tao@sandia.gov
NR 25
TC 1
Z9 1
U1 2
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 2014
VL 500
AR 082001
DI 10.1088/1742-6596/500/8/082001
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900094
ER
PT S
AU Aslam, TD
Gustavsen, RL
Bartram, BD
AF Aslam, T. D.
Gustavsen, R. L.
Bartram, B. D.
BE Buttler, W
Furlanetto, M
Evans, W
TI An equation of state for polyurea aerogel based on multi-shock response
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID DUCTILE POROUS MATERIALS
AB The equation of state (EOS) of polyurea aerogel (PUA) is examined through both single shock Hugoniot data as well as more recent multi-shock compression experiments performed on the LANL 2-stage gas gun. A simple conservative Lagrangian numerical scheme, utilizing total variation diminishing (TVD) interpolation and an approximate Riemann solver, will be presented as well as the methodology of calibration. It will been demonstrated that a p-alpha model based on a Mie-Gruneisen fitting form for the solid material can reasonably replicate multi-shock compression response at a variety of initial densities; such a methodology will be presented for a commercially available polyurea aerogel.
C1 [Aslam, T. D.; Gustavsen, R. L.; Bartram, B. D.] Los Alamos Natl Lab, WX Shock & Detonat Phys 9, Los Alamos, NM 87545 USA.
RP Aslam, TD (reprint author), Los Alamos Natl Lab, WX Shock & Detonat Phys 9, POB 1663, Los Alamos, NM 87545 USA.
EM aslam@lanl.gov
OI Aslam, Tariq/0000-0002-4263-0401; Gustavsen, Richard/0000-0002-2281-2742
NR 12
TC 0
Z9 0
U1 1
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 2014
VL 500
AR 032001
DI 10.1088/1742-6596/500/3/032001
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900013
ER
PT S
AU Austin, RA
Barton, NR
Howard, WM
Fried, LE
AF Austin, R. A.
Barton, N. R.
Howard, W. M.
Fried, L. E.
BE Buttler, W
Furlanetto, M
Evans, W
TI Modeling pore collapse and chemical reactions in shock-loaded HMX
crystals
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
AB The localization of deformation in shock-loaded crystals of high explosive material leads to the formation of hot spots, which, if hot enough, initiate chemical reactions. The collapse of microscopic pores contained within a crystal is one such process that localizes energy and generates hot spots. Given the difficulty of resolving the details of pore collapse in shock compression experiments, it is useful to study the problem using direct numerical simulation. In this work, we focus on simulating the shock-induced closure of a single pore in crystalline beta-HMX using a multiphysics finite element code. To address coupled thermal-mechanical-chemical responses, the model incorporates a crystal-mechanics-based description of thermoelasto-viscoplasticity, the crystal melting behavior, and transformation kinetics for a single-step decomposition reaction. The model is applied to stress wave amplitudes of up to 11 GPa to study the details of pore collapse, energy localization, and the early stages of reaction initiation.
C1 [Austin, R. A.; Barton, N. R.; Howard, W. M.; Fried, L. E.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Austin, RA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
EM austin@llnl.gov
RI Austin, Ryan/J-9003-2014; Fried, Laurence/L-8714-2014
OI Fried, Laurence/0000-0002-9437-7700
NR 13
TC 6
Z9 6
U1 2
U2 15
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 500
AR 052002
DI 10.1088/1742-6596/500/5/052002
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900036
ER
PT S
AU Baker, J
Kumar, R
Velisavljevic, N
Park, C
Kenney-Benson, C
Kono, Y
Cornelius, A
Zhao, Y
AF Baker, J.
Kumar, R.
Velisavljevic, N.
Park, C.
Kenney-Benson, C.
Kono, Y.
Cornelius, A.
Zhao, Y.
BE Buttler, W
Furlanetto, M
Evans, W
TI In situ x-ray diffraction, electrical resistivity and thermal
measurements using a Paris-Edinburgh cell at HPCAT 16BM-B beamline
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID BISMUTH; PHASE
AB We have established a new type of experimental set-up utilizing a Paris-Edinburgh (PE) type large volume press with a dedicated sample cell assembly for simultaneous x-ray diffraction, electrical resistance, and temperature gradient measurements at the High-Pressure Collaborative Access Team (HPCAT) at Advanced Photon Source (APS), Argonne National Laboratory 16BM-B beamline. We demonstrate the feasibility of performing in situ measurements and correlating the measured electrical-thermal-structural properties over a broad range of P-T conditions by observing the well-known solid-solid and solid-melt transitions of bismuth (Bi) up to 5 GPa and 600 degrees C. The goal of developing this new multi-probe measurement capability is to further improve detection of the onset of solid-solid and solid-melt transitions, relate structural and electrical properties of materials, determine changes in thermal conductivity at high P-T, and ultimately extend the technique for investigating other parameters, such as the Seebeck coefficient of thermoelectric materials.
C1 [Baker, J.; Kumar, R.; Cornelius, A.; Zhao, Y.] Univ Nevada, HiPSEC, 4505 S Maryland Pkwy, Las Vegas, NV 89154 USA.
[Baker, J.; Velisavljevic, N.] Los Alamos Natl Lab, Shock & Detonat Phys Grp, Los Alamos, NM 87545 USA.
[Park, C.; Kenney-Benson, C.; Kono, Y.] Carnegie Inst Sci, Geophys Lab, HPCAT, Argonne, IL 60439 USA.
RP Baker, J (reprint author), Univ Nevada, HiPSEC, 4505 S Maryland Pkwy, Las Vegas, NV 89154 USA.
EM bakerj@physics.unlv.edu; ravhi@physics.unlv.edu
FU UNLV (ALC); U.S. Department of Energy Award [DESC0005278]; DOENNSA [DE-
AC52- 06NA25396]; DOE- NNSA [DE- NA0001974]; DOE- BES [DE- FG02-
99ER45775, DE- AC02- 06CH11357]; NSF
FX Work at UNLV is supported by UNLV (ALC) is funded by U.S. Department of
Energy Award DESC0005278. Los Alamos National Laboratory (LANL) is
operated by LANS, LLC for the DOENNSA under contract # DE- AC52-
06NA25396. The new technique development and experiments were performed
at HPCAT ( Sector 16), Advanced Photon Source (APS), Argonne National
Laboratory. HPCAT operations are supported by DOE- NNSA under Award No.
DE- NA0001974 and DOE- BES under Award No. DE- FG02- 99ER45775, with
partial instrumental funding by NSF. APS is supported by DOE- BES, under
Contract No. DE- AC02- 06CH11357.
NR 9
TC 1
Z9 1
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 2014
VL 500
AR UNSP 142003
DI 10.1088/1742-6596/500/14/142003
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900183
ER
PT S
AU Barnes, CW
Funk, DJ
Hockaday, MP
Sarrao, JL
Stevens, MF
AF Barnes, Cris W.
Funk, David J.
Hockaday, Mary P.
Sarrao, John L.
Stevens, Michael F.
BE Buttler, W
Furlanetto, M
Evans, W
TI The science of dynamic compression at the mesoscale and the
Matter-Radiation Interactions in Extremes (MaRIE) project
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
AB A scientific transition is underway from traditional observation and validation of materials properties to a new paradigm where scientists and engineers design and create materials with tailored properties for specified functionality. Of particular interest are the regimes of materials' response to thermo-mechanical extremes including materials deforming under imposed strain rates above the quasi-static range (i.e. > 10(-3) s(-1)), material subjected to imposed shocks, but also material response to static, high-pressures. There is a need for the study of materials at the "mesoscale," the scale at which sub-granular physical processes and inter-granular organization couple to determine microstructure, crucially impacting constitutive response at the engineering macroscale. For these reasons Los Alamos is proposing the MaRIE facility as a National User Facility to meet this need. In particular, three key science challenges will be identified: Link material microstructure to macroscopic behavior under dynamic deformation conditions; Make the transition from observation and validation to prediction and control of dynamic processes; and Develop the next generation of diagnostics, dynamic drivers, and predictive models to enable the necessary, transformative research.
C1 [Barnes, Cris W.; Funk, David J.; Hockaday, Mary P.; Sarrao, John L.; Stevens, Michael F.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Barnes, CW (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM cbarnes@lanl.gov
OI Barnes, Cris/0000-0002-3347-0741
NR 11
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 2014
VL 500
AR 092001
DI 10.1088/1742-6596/500/9/092001
PG 5
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900096
ER
PT S
AU Barton, NR
Rhee, M
Li, SF
Bernier, JV
Kumar, M
Lind, JF
Bingert, JF
AF Barton, N. R.
Rhee, M.
Li, S. F.
Bernier, J. V.
Kumar, M.
Lind, J. F.
Bingert, J. F.
BE Buttler, W
Furlanetto, M
Evans, W
TI Using high energy diffraction microscopy to assess a model for
microstructural sensitivity in spall response
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID COPPER; PLASTICITY; FRACTURE; CREEP
AB We present results from a modeling effort that employs detailed non-destructive three-dimensional microstructure data obtained from X-ray based High Energy Diffraction Microscopy (HEDM) experiments. The emphasis is on validating models that capture microstructural sensitivities so that these models can then be employed in rapid certification procedures. By focusing validation efforts on models that connect directly to experimentally measurable features of the microstructure, we can then build confidence in use of the models for components prepared under different processing routes, with different chemical compositions and attendant impurity distributions, or subjected to different loading conditions. The computational model makes use of a crystal mechanics based constitutive model that includes porosity evolution. The formulation includes nucleation behavior that is fully integrated into a robust numerical procedure, enhancing capabilities for modeling small length scales at which nucleation site potency and volume fraction are more variable. Three-dimensional experimental data are available both pre-shot and post-shot from the same volume of impact-loaded copper. Crystal lattice orientation and porosity data are obtained, respectively, from near-field HEDM and tomography techniques. The availability of such data serves as a primary motivation for the model effort at the microstructural scale.
C1 [Barton, N. R.; Rhee, M.; Li, S. F.; Bernier, J. V.; Kumar, M.; Lind, J. F.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
[Bingert, J. F.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Barton, NR (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
EM barton22@llnl.gov
FU U. S. Department of Energy by Lawrence Livermore National Laboratory
[DE- AC52- 07NA27344, LLNL- JRNL- 644620]; U. S. Department of Energy;
Office of Science; Office of Basic Energy Sciences [DE- AC02- 06CH11357]
FX This work was performed under the auspices of the U. S. Department of
Energy by Lawrence Livermore National Laboratory under Contract DE-
AC52- 07NA27344 ( LLNL- JRNL- 644620). Use of the Advanced Photon Source
was supported by the U. S. Department of Energy, Office of Science,
Office of Basic Energy Sciences, under Contract DE- AC02- 06CH11357. We
thank Professor Armand Beaudoin for valuable discussions regarding the
model construction.
NR 18
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 2014
VL 500
AR UNSP 112007
DI 10.1088/1742-6596/500/11/112007
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900109
ER
PT S
AU Bishop, MM
Chellappa, RS
Liu, Z
Preston, DN
Sandstrom, MM
Dattelbaum, DM
Vohra, YK
Velisavljevic, N
AF Bishop, M. M.
Chellappa, R. S.
Liu, Z.
Preston, D. N.
Sandstrom, M. M.
Dattelbaum, D. M.
Vohra, Y. K.
Velisavljevic, N.
BE Buttler, W
Furlanetto, M
Evans, W
TI High pressure-temperature polymorphism of
1,1-diamino-2,2-dinitroethylene
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID FOX-7
AB 1,1-diamino-2,2-dinitroethylene (FOX-7) is a low sensitivity energetic material with performance comparable to commonly used secondary explosives such as RDX and HMX. At ambient pressure, FOX-7 exhibits complex polymorphism with at least three structurally distinct phases (alpha, beta, and gamma). In this study, we have investigated the high pressure-temperature stability of FOX-7 polymorphs using synchrotron mid-infrared (MIR) spectroscopy. At ambient pressure, our MIR spectra and corresponding differential scanning calorimetry (DSC) measurements confirmed the known alpha --> beta (similar to 110 degrees C) and beta --> gamma (similar to 160 degrees C) structural phase transitions; as well as, indicated an additional transition gamma --> delta (similar to 210 degrees C), with the delta phase being stable up to similar to 251 degrees C prior to decomposition. In situ MIR spectra obtained during isobaric heating at 0.9 GPa, revealed a potential alpha --> beta transition that could occur as early as 180 degrees C, while beta --> beta+delta phase transition shifted to similar to 300 degrees C with suppression of gamma phase. Decomposition was observed slightly above 325 degrees C at 0.9 GPa.
C1 [Bishop, M. M.; Dattelbaum, D. M.; Velisavljevic, N.] Los Alamos Natl Lab, Shock & Detonat Phys Grp, POB 1663, Los Alamos, NM 87545 USA.
[Bishop, M. M.] Univ Alabama Birmingham, Dept Chem, Birmingham, AL 35294 USA.
[Chellappa, R. S.] Alamos Neutron Sci Ctr, Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Liu, Z.] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA.
[Preston, D. N.; Sandstrom, M. M.] Alamos Natl Lab, High Explos Sci Technol Grp, Los Alamos, NM 87545 USA.
[Vohra, Y. K.] Univ Alabama Birmingham, Dept Phys, Birmingham, AL 35294 USA.
RP Bishop, MM (reprint author), Los Alamos Natl Lab, Shock & Detonat Phys Grp, POB 1663, Los Alamos, NM 87545 USA.
EM nenad@lanl.gov
FU U.S. DOE [DE-AC52-06NA25496]; DOE/ NNSA [DE-NA0002014]; Science Campaign
2 under the HE Science Program; NSF; Doctorate Program [2009751]; DOE
Office of Science; Office of Basic Energy Sciences [DE-AC02-98CH10886];
COMPRES, under NSF Cooperative Agreement [EAR0135554]; U. S. DOE
[DEFC03-03N00144]
FX Los Alamos National Laboratory is operated by LANS, LLC for the DOE/
NNSA. This work was, in part, supported by the U.S. DOE under contract
No. DE-AC52-06NA25496 and Science Campaign 2 program. MB is supported by
the DOE/ NNSA under award number DE- NA0002014, and the Science Campaign
2 under the HE Science Program. For part of this work, MB was supported
by NSF: Bridge to the Doctorate Program under Grant No. 2009751. We
thank the Swedish Defense Research Agency ( FOI) for the synthesis of
the sample. Use of the National Synchrotron Light Source is supported by
DOE Office of Science, Office of Basic Energy Sciences, under Contract
No. DE-AC02- 98CH10886. Beamline U2A is supported by COMPRES, under NSF
Cooperative Agreement Grant No. EAR0135554 and the U. S. DOE ( CDAC,
Contract No. DEFC03- 03N00144).
NR 13
TC 0
Z9 1
U1 1
U2 12
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 500
AR UNSP 052005
DI 10.1088/1742-6596/500/5/052005
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900039
ER
PT S
AU Bowden, PR
Chellappa, RS
Dattelbaum, DM
Manner, VW
Mack, NH
Liu, Z
AF Bowden, P. R.
Chellappa, R. S.
Dattelbaum, D. M.
Manner, V. W.
Mack, N. H.
Liu, Z.
BE Buttler, W
Furlanetto, M
Evans, W
TI The high-pressure phase stability of 2,4,6-trinitrotoluene (TNT)
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID STATE; TRINITROTOLUENE; COMPRESSIBILITY; EQUATION
AB 2,4,6-trinitrotoluene (TNT) is a widely used explosive that is relatively insensitive to initiation by shock loading. While the detonation properties of TNT have been extensively reported, the high pressure-temperature (P-T) stability of TNT has not been investigated in detail. At ambient conditions, TNT crystallizes in a monoclinic lattice (space group P2(1)/a), and our previous X-ray diffraction (XRD) measurements at room temperature suggested a phase transition to orthorhombic (space group Pca2(1)) at similar to 20 GPa. In this work, we have performed in-situ synchrotron XRD and vibrational spectroscopy measurements along the room temperature isotherm to investigate phase stabilities up to 18 GPa. While our Raman spectroscopy measurements indicate spectral changes at similar to 2 GPa, careful XRD measurements reveal that the monoclinic phase persists up to 10 GPa.
C1 [Bowden, P. R.; Chellappa, R. S.; Dattelbaum, D. M.] LANL, Shock & Detonat Phys, Los Alamos, NM 87545 USA.
[Manner, V. W.] High Explos Sci & Technol, LANL, Los Alamos, NM 87545 USA.
[Mack, N. H.] Phys Chem & Appl Spect, Los Alamos, NM 87545 USA.
[Liu, Z.] Carnegie Inst Sci, Washington, DC 20005 USA.
RP Bowden, PR (reprint author), LANL, Shock & Detonat Phys, Los Alamos, NM 87545 USA.
EM pbowden@lanl.gov; danadat@lanl.gov
FU LDRD [2011012DR]; Office of Naval Research; DOE/NNSA
FX The authors would like to thank LDRD Project # 2011012DR, the Office of
Naval Research and DOE/NNSA for funding the work presented herein.
NR 22
TC 2
Z9 2
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 2014
VL 500
AR UNSP 052006
DI 10.1088/1742-6596/500/5/052006
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900040
ER
PT S
AU Briggs, ME
Moro, EA
Shinas, MA
McGrane, S
Knierim, D
AF Briggs, M. E.
Moro, E. A.
Shinas, M. A.
McGrane, S.
Knierim, D.
BE Buttler, W
Furlanetto, M
Evans, W
TI Optical distance measurements to recover the material approach missed by
optical velocimetry
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
AB Optical velocimetry is limited to measuring the component of the target velocity along the axis of the optical beam, thereby allowing a laterally moving tilted surface to approach a probe undetected. We are not discussing the detection of the lateral motion, but rather the detection of material approaching the probe due to lateral motion of a surface that is not perpendicular to the beam. This motion is not measured in optical velocimetry, and consequentially, integrating the velocity will in general give an incorrect position. We will present three approaches to overcome this limitation: Tilted wave-front interferometry, which maps time of flight into fringe displacement; pulse bursts for which we measure the change in the average arrival time of a burst, and amplitude modulation interferometry, in which a change in path length shows up as a change in the phase of the modulation. All three of these have the potential to be integrated with existing velocimetry probes for simultaneous velocity and displacement measurements. We will also report on initial tests of these approaches.
C1 [Briggs, M. E.; Moro, E. A.; Shinas, M. A.; McGrane, S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Knierim, D.] Tektronix Corp, Beaverton, OR 97077 USA.
RP Briggs, ME (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM briggs@lanl.gov
OI Mcgrane, Shawn/0000-0002-2978-3980
FU Los Alamos National Laboratory Subcritical; Hydrodynamic
FX Funding was provided by the Los Alamos National Laboratory Subcritical
and Hydrodynamic programs.
NR 4
TC 1
Z9 1
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 2014
VL 500
AR UNSP 142005
DI 10.1088/1742-6596/500/14/142005
PG 5
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900185
ER
PT S
AU Brown, EN
Cady, CM
Gray, GT
Hull, LM
Cooley, JH
Bronkhorst, CA
Addessio, FL
AF Brown, E. N.
Cady, C. M.
Gray, G. T., III
Hull, L. M.
Cooley, J. H.
Bronkhorst, C. A.
Addessio, F. L.
BE Buttler, W
Furlanetto, M
Evans, W
TI Characterization of shocked beryllium
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID GRADE BERYLLIUM; BEHAVIOR
AB Explosively driven arrested beryllium experiments were performed with post mortem characterization to evaluate the failure behaviors. The test samples were encapsulated in an aluminum assembly that was large relative to the sample, and the assembly features both axial and radial momentum traps. The sample carrier was inserted from the explosively-loaded end and has features to lock the carrier to the surrounding cylinder using the induced plastic flow. Calculations with Lagrangian codes showed that the tensile stresses experienced by the Be sample were below the spall stress. Metallographic characterization of the arrested Be showed radial cracks present in the samples may have been caused by bending moments. Fractography showed the fractures propagated from the side of the sample closest to the explosives, the side with the highest tensile stress. There was evidence that the fractures may have propagated from the circumferential crack outward and downward radially.
C1 [Brown, E. N.; Cady, C. M.; Gray, G. T., III; Hull, L. M.; Cooley, J. H.; Bronkhorst, C. A.; Addessio, F. L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Brown, EN (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM en_brown@lanl.gov
RI Bronkhorst, Curt/B-4280-2011;
OI Bronkhorst, Curt/0000-0002-2709-1964; Brown, Eric/0000-0002-6812-7820
NR 9
TC 1
Z9 1
U1 0
U2 6
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 500
AR 112013
DI 10.1088/1742-6596/500/11/112013
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900115
ER
PT S
AU Brown, EN
Furmanski, J
Ramos, KJ
Dattelbaum, DM
Jensen, BJ
Iverson, AJ
Carlson, CA
Fezzaa, K
Gray, GT
Patterson, BM
Trujillo, CP
Martinez, DT
Pierce, TH
AF Brown, E. N.
Furmanski, J.
Ramos, K. J.
Dattelbaum, D. M.
Jensen, B. J.
Iverson, A. J.
Carlson, C. A.
Fezzaa, K.
Gray, G. T., III
Patterson, B. M.
Trujillo, C. P.
Martinez, D. T.
Pierce, T. H.
BE Buttler, W
Furlanetto, M
Evans, W
TI High-density polyethylene damage at extreme tensile conditions
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID EXTRUSION RESPONSE; MOLECULAR-CONFORMATION; UHMWPE; HDPE; PEX
AB In-situ and postmortem observations of the dynamic tensile failure and damage evolution of high-density polyethylene (HDPE) are made during Dynamic-Tensile-Extrusion (Dyn-Ten-Ext) loading. The Dyn-Ten-Ext technique probes the tensile response of materials at large strains (>1) and high strain-rates (>10(5) s(-1)) by firing projectiles through a conical die. Postmortem sectioning elucidates a mechanism of internal damage inception and progression. X-ray computed tomography corroborates shear damage with cracks nearly aligned with the extrusion axis but separated by unfailed internal bridges of material. In-situ measurements of damage are made with the impact system for ultrafast synchrotron experiments (IMPULSE) using the advanced imaging X-ray methods available at the Advanced Photon Source. Multiple frame phase-contrast imaging (PCI) elucidates the evolution of damage features in HDPE during Dyn-Ten-Ext loading that is observed in postmortem sectioning and X-ray tomography.
C1 [Brown, E. N.; Furmanski, J.; Ramos, K. J.; Dattelbaum, D. M.; Jensen, B. J.; Gray, G. T., III; Patterson, B. M.; Trujillo, C. P.; Martinez, D. T.; Pierce, T. H.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[Iverson, A. J.; Carlson, C. A.] Natl Secur Technol LLC, Los Alamos, NM 87544 USA.
[Fezzaa, K.] APS, Argonne Natl Lab, Argonne, IL 60439 USA.
[Furmanski, J.] ExxonMobil Res & Engn Co, Annandale, NJ 08801 USA.
RP Brown, EN (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM en_brown@lanl.gov
OI Brown, Eric/0000-0002-6812-7820; Patterson, Brian/0000-0001-9244-7376
FU LANL's Science Campaign 2 program; National Security Technologies; LLC
for the U. S. Department of Energy ( DOE) [DE- AC52- 06NA25396]; U. S.
DOE [DE- AC02- 06CH11357]
FX This work was supported by LANL's Science Campaign 2 program and
National Security Technologies LLC Shock Wave Physics Related
Diagnostics ( SWRD) program. LANL is operated by Los Alamos National
Security, LLC for the U. S. Department of Energy ( DOE) under Contract
No. DE- AC52- 06NA25396. Use of the Advanced Photon Source, an Office of
Science User Facility operated for the DOE Office of Science by Argonne
National Laboratory, was supported by the U. S. DOE under Contract No.
DE- AC02- 06CH11357.
NR 18
TC 2
Z9 2
U1 3
U2 15
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 500
AR UNSP 112011
DI 10.1088/1742-6596/500/11/112011
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900113
ER
PT S
AU Brown, GW
AF Brown, Geoffrey W.
BE Buttler, W
Furlanetto, M
Evans, W
TI Improved sensitivity testing of explosives using transformed Up-Down
methods
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID SEQUENTIAL ESTIMATION
AB Sensitivity tests provide data that help establish guidelines for the safe handling of explosives. Any sensitivity test is based on assumptions to simplify the method or reduce the number of individual sample evaluations. Two common assumptions that are not typically checked after testing are 1) explosive response follows a normal distribution as a function of the applied stimulus levels and 2) the chosen test level spacing is close to the standard deviation of the explosive response function (for Bruceton Up-Down testing for example). These assumptions and other limitations of traditional explosive sensitivity testing can be addressed using Transformed Up-Down (TUD) test methods. TUD methods have been developed extensively for psychometric testing over the past 50 years and generally use multiple tests at a given level to determine how to adjust the applied stimulus. In the context of explosive sensitivity we can use TUD methods that concentrate testing around useful probability levels. Here, these methods are explained and compared to Bruceton Up-Down testing using computer simulation. The results show that the TUD methods are more useful for many cases but that they do require more tests as a consequence. For non-normal distributions, however, the TUD methods may be the only accurate assessment method.
C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Brown, GW (reprint author), Los Alamos Natl Lab, High Explos Sci & Technol WX-7, Los Alamos, NM 87545 USA.
EM geoffb@lanl.gov
NR 7
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 2014
VL 500
AR 052007
DI 10.1088/1742-6596/500/5/052007
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900041
ER
PT S
AU Brundage, A
AF Brundage, A.
BE Buttler, W
Furlanetto, M
Evans, W
TI Prediction of shock-induced cavitation in water
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID EQUATION; LIQUIDS; STATE
AB Fluid-structure interaction problems that require estimating the response of thin structures within fluids to shock loading have wide applicability. For example, these problems may include underwater explosions and the dynamic response of ships and submarines; and biological applications such as Traumatic Brain Injury (TBI) and wound ballistics. In all of these applications the process of cavitation, where small cavities with dissolved gases or vapor are formed as the local pressure drops below the vapor pressure due to shock hydrodynamics, can cause significant damage to the surrounding thin structures or membranes if these bubbles collapse, generating additional shock loading. Hence, a two-phase equation of state (EOS) with three distinct regions of compression, expansion, and tension was developed to model shock-induced cavitation. This EOS was evaluated by comparing data from pressure and temperature shock Hugoniot measurements for water up to 400 kbar, and data from ultrasonic pressure measurements in tension to -0.3 kbar, to simulated responses from CTH, an Eulerian, finite volume shock code. The new EOS model showed significant improvement over preexisting CTH models such as the SESAME EOS for capturing cavitation.
C1 Sandia Natl Labs, Integrated Mil Syst Dev Ctr, Albuquerque, NM 87185 USA.
RP Brundage, A (reprint author), Sandia Natl Labs, Integrated Mil Syst Dev Ctr, POB 5800,MS 1160, Albuquerque, NM 87185 USA.
EM albrund@sandia.gov
NR 9
TC 1
Z9 1
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 2014
VL 500
AR 102002
DI 10.1088/1742-6596/500/10/102002
PG 4
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900099
ER
PT S
AU Burakovsky, L
Chen, SP
Preston, DL
Sheppard, DG
AF Burakovsky, L.
Chen, S. P.
Preston, D. L.
Sheppard, D. G.
BE Buttler, W
Furlanetto, M
Evans, W
TI Z methodology for phase diagram studies: platinum and tantalum as
examples
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID CRYSTALS
AB The Z methodology is a novel technique for phase diagram studies. It combines the direct Z method for the computation of melting curves and the inverse Z method for the calculation of solid-solid phase boundaries. In the direct Z method, the solid phases along the melting curve are determined by comparing the solid-liquid equilibrium boundaries of candidate crystal structures. The inverse Z method involves quenching the liquid into the most stable solid phase at various temperatures and pressures to locate a solid-solid boundary. The direct and inverse Z methods in conjunction with the VASP ab initio molecular dynamics package are used to investigate the phase diagrams of tantalum and platinum. We compare our results to the most recent experimental data.
C1 [Burakovsky, L.; Chen, S. P.; Sheppard, D. G.] Los Alamos Natl Lab, Div Theoret Phys, POB 1663, Los Alamos, NM 87545 USA.
[Preston, D. L.] Los Alamos Natl Lab, Computat Phys Div, Los Alamos, NM 87545 USA.
RP Burakovsky, L (reprint author), Los Alamos Natl Lab, Div Theoret Phys, POB 1663, Los Alamos, NM 87545 USA.
EM burakov@lanl.gov
NR 22
TC 4
Z9 4
U1 0
U2 15
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 500
AR UNSP 162001
DI 10.1088/1742-6596/500/16/162001
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900231
ER
PT S
AU Buttler, WT
Oro, DM
Mariam, FG
Saunders, A
Andrews, MJ
Cherne, FJ
Hammerberg, JE
Hixson, RS
Monfared, SK
Morris, C
Olson, RT
Preston, DL
Stone, JB
Terrones, G
Tupa, D
Vogan-McNeil, W
AF Buttler, W. T.
Oro, D. M.
Mariam, F. G.
Saunders, A.
Andrews, M. J.
Cherne, F. J.
Hammerberg, J. E.
Hixson, R. S.
Monfared, S. K.
Morris, C.
Olson, R. T.
Preston, D. L.
Stone, J. B.
Terrones, G.
Tupa, D.
Vogan-McNeil, W.
BE Buttler, W
Furlanetto, M
Evans, W
TI Explosively driven two-shockwave tools with applications
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID METALS; EJECTA; RECOVERY; TIN
AB We present the development of an explosively driven physics tool to generate two mostly uniaxial shockwaves. The tool is being used to extend single shockwave ejecta models to account for a second shockwave a few microseconds later. We explore techniques to vary the amplitude of both the first and second shockwaves, and we apply the tool experimentally at the Los Alamos National Laboratory Proton Radiography (pRad)facility. The tools have been applied to Sn with perturbations of wavelength lambda = 550 mu m, and various amplitudes that give wavenumber amplitude products of kh is an element of {3/4, 1/2, 1/4, 1/8}, where h is the perturbation amplitude, and k = 2 pi/lambda is the wavenumber. The pRad data suggest the development of a second shock ejecta model based on unstable Richtmyer-Meshkov physics.
C1 [Buttler, W. T.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[Buttler, W. T.; Oro, D. M.; Mariam, F. G.; Saunders, A.; Monfared, S. K.; Morris, C.; Olson, R. T.; Stone, J. B.; Tupa, D.; Vogan-McNeil, W.] Los Alamos Natl Lab Phys, Los Alamos, NM 87545 USA.
[Andrews, M. J.; Hammerberg, J. E.; Preston, D. L.] Los Alamos Natl Lab, X Comp Phys, Los Alamos, NM 87545 USA.
[Cherne, F. J.] Los Alamos Natl Lab, Wrapons Experiments, Los Alamos, NM 87545 USA.
[Hixson, R. S.] Natl Secur Technol, Los Alamos, NM 87544 USA.
[Terrones, G.] Los Alamos Natl Lab, X Theoret Design, Los Alamos, NM 87545 USA.
RP Buttler, WT (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM buttler@lanl.gov
OI Terrones, Guillermo/0000-0001-8245-5022; Morris,
Christopher/0000-0003-2141-0255; Tupa, Dale/0000-0002-6265-5016; Cherne,
Frank/0000-0002-8589-6058
NR 21
TC 4
Z9 4
U1 2
U2 12
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 500
AR UNSP 112014
DI 10.1088/1742-6596/500/11/112014
PG 8
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900116
ER
PT S
AU Cerreta, EK
Addessio, FL
Bronkhorst, CA
Brown, DW
Escobedo, JP
Fensin, SJ
Gray, GT
Lookman, T
Rigg, PA
Trujillo, CP
AF Cerreta, E. K.
Addessio, F. L.
Bronkhorst, C. A.
Brown, D. W.
Escobedo, J. P.
Fensin, S. J.
Gray, G. T., III
Lookman, T.
Rigg, P. A.
Trujillo, C. P.
BE Buttler, W
Furlanetto, M
Evans, W
TI The influence of peak shock stress on the high pressure phase
transformation in Zr
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID ZIRCONIUM; BEHAVIOR; TITANIUM; TEMPERATURE; HAFNIUM
AB At high pressures zirconium is known to undergo a phase transformation from the hexagonal close packed (HCP) alpha phase to the simple hexagonal omega phase. Under conditions of shock loading, a significant volume fraction of high-pressure omega phase is retained upon release. However, the hysteresis in this transformation is not well represented by equilibrium phase diagrams and the multi-phase plasticity under shock conditions is not well understood. For these reasons, the influence of peak shock stress and temperature on the retention of omega phase in Zr has been explored. VISAR and PDV measurements along with post-mortem metallographic and neutron diffraction characterization of soft recovered specimens have been utilized to quantify the volume fraction of retained omega phase and qualitatively understand the kinetics of this transformation. In turn, soft recovered specimens with varying volume fractions of retained omega phase have been utilized to understand the contribution of omega and alpha phases to strength in shock loaded Zr.
C1 [Cerreta, E. K.; Addessio, F. L.; Bronkhorst, C. A.; Brown, D. W.; Escobedo, J. P.; Fensin, S. J.; Gray, G. T., III; Lookman, T.; Rigg, P. A.; Trujillo, C. P.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Cerreta, EK (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM ecerreta@lanl.gov
RI Bronkhorst, Curt/B-4280-2011;
OI Bronkhorst, Curt/0000-0002-2709-1964; Escobedo-Diaz,
Juan/0000-0003-2413-7119
NR 18
TC 3
Z9 3
U1 1
U2 13
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 500
AR 032003
DI 10.1088/1742-6596/500/3/032003
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900015
ER
PT S
AU Chellappa, R
Dattelbaum, D
Daemen, L
Liu, ZX
AF Chellappa, Raja
Dattelbaum, Dana
Daemen, Luke
Liu, Zhenxian
BE Buttler, W
Furlanetto, M
Evans, W
TI High pressure spectroscopic studies of hydrazine (N2H4)
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID SPECTRA
AB Pressure-induced changes (up to 20 GPa) to the structure and bonding in hydrazine (N2H4) have been investigated using diamond anvil cell (DAC) with in situ Raman spectroscopy. Liquid hydrazine solidifies at 0.3 GPa into a crystalline phase and its structure was established using synchrotron x-ray diffraction (XRD) measurements. The high pressure phase is monoclinic (P2(1)) with a remarkable correspondence to the low-T monoclinic structure that is also seen in the similar Raman spectral features. With increasing pressure, the modifications to N-H center dot center dot center dot N hydrogen bonding is observed with emergence of new contacts beyond 5 GPa as well as appearance of new lattice modes. This is accompanied by small changes in the pressure dependency (d nu/dP) of frequencies. Based on these observations, we conclude a sluggish phase transition in the 5-7 GPa range accompanied by selective strengthening and restructuring of hydrogen bonding network. Inelastic Neutron Scattering (INS) measurements performed in the 10-250 K range indicates that the order-disorder phase transition (observed in thin films at 175-80 K) driven by conformational changes is not observed in a bulk sample.
C1 [Chellappa, Raja; Daemen, Luke] Los Alamos Natl Lab, Lujan Ctr, POB 1663, Los Alamos, NM 87544 USA.
[Dattelbaum, Dana] Alamos Natl Lab, Shock Phys, Los Alamos, NM 87544 USA.
[Liu, Zhenxian] Natl Synchrotron Light Source, U2A Beamline, Upton, NY 11973 USA.
RP Chellappa, R (reprint author), Los Alamos Natl Lab, Lujan Ctr, POB 1663, Los Alamos, NM 87544 USA.
EM raja@lanl.gov; danadat@lanl.gov
FU LDRD [2011012DR]; Office of Naval Research; DOE/NNSA
FX The authors would like to thank LDRD Project # 2011012DR, the Office of
Naval Research and DOE/NNSA for funding the work presented herein. We
thank the Carnegie- DOE Alliance Centre for beam time, and sector 16
beam line scientists for their help with experimental measurements.
NR 22
TC 3
Z9 3
U1 3
U2 13
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 500
AR UNSP 052008
DI 10.1088/1742-6596/500/5/052008
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900042
ER
PT S
AU Chen, JY
Kim, M
Yoo, CS
Liermann, HP
Evans, WJ
AF Chen, Jing-Yin
Kim, Minseob
Yoo, Choong-Shik
Liermann, Hanns-Peter
Evans, William J.
BE Buttler, W
Furlanetto, M
Evans, W
TI Time-resolved x-ray diffraction across water-ice-VI/VII transformations
using the dynamic-DAC
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID DENSITY AMORPHOUS ICE; ROOM-TEMPERATURE; HIGH-PRESSURE; H2O; GPA; VI
AB We present recent time-resolved x-ray diffraction data obtained across the solidification of water to ice-VI and -VII at different compression rates. The structural evolution of ice-VI to ice-VII, however, is not a sharp transition, but occurs rather coarsely. The diffraction data shows an anisotropic compression behavior for ice VI; that is, the c-axis is more compressible than the a-axis at the same compression rate. Nevertheless, the present equations of state of both ice-VI and ice-VII obtained under dynamic loadings agree well with those previously obtained under static conditions. Hence, the present study demonstrates that time-resolved x-ray diffraction coupled with the dynamic-DAC is an effective method for investigating details of the structural response of materials over a wide range of well-controlled compression rates. Finally, we found the evidence for an X-ray induced chemical reaction of water and ice-VI. The impurities, produced by the x-ray induced chemical reaction, inhibit the formation of amorphous ice.
C1 [Chen, Jing-Yin; Evans, William J.] Lawrence Livermore Natl Lab, CMMD, Phys & Life Sci Directorate, Livermore, CA 94551 USA.
[Kim, Minseob; Yoo, Choong-Shik] Washington State Univ, Dept Chem, Inst Shock Phys, Pullman, WA 99164 USA.
[Liermann, Hanns-Peter] Photon Sci, Deutsches Elektronen Synchrotron DESY, D-22603 Hamburg, Germany.
RP Chen, JY (reprint author), Lawrence Livermore Natl Lab, CMMD, Phys & Life Sci Directorate, Livermore, CA 94551 USA.
EM csyoo@wsu.edu
FU U.S. Department of Energy [W- 7405- Eng- 48, DE- AC52- 07NA27344];
Laboratory Directed Research and Development Program at LLNL [11- ERD-
046]; NSF- DMR [1203834]; DTRA [HDTRA1- 12- 01- 0020]; Deep Carbon
Observatory Extreme Physics and Chemistry
FX The work at LLNL was performed under the auspices of the U.S. Department
of Energy in part under contract W- 7405- Eng- 48 and in part under
Contract DE- AC52- 07NA27344 and supported by the Laboratory Directed
Research and Development Program at LLNL under project tracking code 11-
ERD- 046. The work at WSU has been performed in support of NSF- DMR (
Grant No. 1203834), DTRA ( HDTRA1- 12- 01- 0020), and Deep Carbon
Observatory Extreme Physics and Chemistry.
NR 21
TC 5
Z9 5
U1 0
U2 7
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 500
AR UNSP 142006
DI 10.1088/1742-6596/500/14/142006
PG 8
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900186
ER
PT S
AU Chen, LE
Eakins, DE
Chapman, DC
Thadhani, N
Swift, DC
Kumar, M
AF Chen, L. E.
Eakins, D. E.
Chapman, D. C.
Thadhani, N.
Swift, D. C.
Kumar, M.
BE Buttler, W
Furlanetto, M
Evans, W
TI Dynamic behavior of a Ce-Al bulk metallic glass
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
AB The mechanisms of stress relaxation in metallic glasses under high strain rates are an area of active study. The lack of extended structure forces strain accommodation through alternative modes to slip. For example, amorphous Ce3Al has been shown to undergo a phase transition to the crystalline FCC Ce3Al at 25 GPa under quasistatic loading. Whether this mechanism extends to high strain rates has yet to be determined. We present results of an initial study into the ultrafast deformation characteristics of a Ce-Al bulk metallic glass. Using the Janus laser at the Jupiter Laser Facility (LLNL), thin targets 30 micron in thickness were shocked over a range of pressures up to 30 GPa. The velocity of the target rear surface was measured using a line-imaging VISAR to reveal features in the wave profile attributed to stress relaxation. In addition, experiments were performed on crystalline forms of Ce-Al prepared through heat treatment of the amorphous material. Preliminary results reveal a distinct precursor wave above and below 1.5 GPa, which gives way to a complex multiwave structure around 1.5 GPa, most likely indicative of a polyamorphic transition.
C1 [Chen, L. E.; Eakins, D. E.; Chapman, D. C.] Univ London Imperial Coll Sci Technol & Med, Inst Shock Phys, London SW7 2AZ, England.
[Chapman, D. C.] Georgia Inst Technol, Atlanta, GA 30332 USA.
[Thadhani, N.; Swift, D. C.; Kumar, M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Chen, LE (reprint author), Univ London Imperial Coll Sci Technol & Med, Inst Shock Phys, London SW7 2AZ, England.
EM l.chen11@imperial.ac.uk
OI Eakins, Daniel/0000-0002-3535-5624
NR 8
TC 0
Z9 0
U1 0
U2 16
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 500
AR UNSP 112016
DI 10.1088/1742-6596/500/11/112016
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900118
ER
PT S
AU Chisolm, ED
AF Chisolm, E. D.
BE Buttler, W
Furlanetto, M
Evans, W
TI A multiphase equation of state for cerium (IV) oxide
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID FLUORITE; HEAT; CEO2
AB I describe the construction of a theoretical equation of state (EOS) for cerium (IV) oxide, CeO2, that includes low- and high-pressure solid phases and the liquid. After a very brief summary of our procedure, I discuss two challenges with this EOS. The first is the presence of high-frequency optical modes in the material's vibrational spectrum, which is difficult to capture with current modeling capabilities. The second is the difficulty of validating a full-density EOS against highly porous Hugoniot data, which requires additional modeling beyond the EOS itself.
C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Chisolm, ED (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM echisolm@lanl.gov
NR 16
TC 0
Z9 0
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 2014
VL 500
AR 032004
DI 10.1088/1742-6596/500/3/032004
PG 5
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900016
ER
PT S
AU Cochrane, KR
Vogler, TJ
Desjarlais, MP
Mattsson, TR
AF Cochrane, K. R.
Vogler, T. J.
Desjarlais, M. P.
Mattsson, T. R.
BE Buttler, W
Furlanetto, M
Evans, W
TI Density Functional Theory (DFT) simulations of porous tantalum pentoxide
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID AUGMENTED-WAVE METHOD; ELECTRON-GAS
AB Density Functional Theory (DFT) based molecular dynamics has been established as a method capable of yielding high fidelity results for many materials at a wide range of pressures and temperatures and has recently been applied to complex polymers such as polyethylene, compounds such as ethane or CO2, and oxides such as MgO. We use this method to obtain a Grfineisen F and thereby build a Mie-Gruneisen equation of state (EOS) and a Rice-Walsh EOS for tantalum pentoxide (Ta2O5 or tantala) and compare to experimental data. The experimental data have initial densities (rho(00)) of approximately 1.13, 3, and 7.4 g/cm(3), reduced from a crystalline of 8.36 g/cm(3). We found that F becomes constant at higher temperatures and pressure, but is a function of both density and temperature at lower densities and temperatures. Finally, the Mie-Gruneisen EOS is adequate for modeling the slightly distended Hugoniot with an initial density of 7.4 g/cm(3), however it is inadequate for the more porous Hugoniot, while the Rice-Walsh EOS combined with a P A crush model approximates the experimental data quite well.
C1 [Cochrane, K. R.; Vogler, T. J.; Desjarlais, M. P.; Mattsson, T. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Cochrane, KR (reprint author), Sandia Natl Labs, MS 1189,POB 5800, Albuquerque, NM 87185 USA.
EM kcochra@sandia.gov
NR 17
TC 0
Z9 0
U1 2
U2 12
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 500
AR 032005
DI 10.1088/1742-6596/500/3/032005
PG 5
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900017
ER
PT S
AU Cooley, JH
Olson, RT
Oro, D
AF Cooley, James H.
Olson, Russel T.
Oro, David
BE Buttler, W
Furlanetto, M
Evans, W
TI Modeling and analysis of high-explosive driven perturbed plate
experiments at Los Alamos
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID PLASTIC-DEFORMATION; SOLIDS; INSTABILITY; TAYLOR
AB We have carried out several experiments on the Los Alamos proton radiography (pRad) facility to explore the growth of perturbations subjected to shockless acceleration. These experiments have involved both Tantalum and depleted Uranium plates with various initial amplitudes. The experimental platform is based on the one first developed by Barnes et al. [1] and further advanced by Raevsky [2]. This paper presents both the data for these experiments and an initial attempt to model the experiments using the simulation code FLAG [3].
C1 [Cooley, James H.] Los Alamos Natl Lab, Theoret Design Div, Los Alamos, NM 87545 USA.
[Olson, Russel T.; Oro, David] Los Alamos Natl Lab, Phys Div, Los Alamos, NM USA.
RP Cooley, JH (reprint author), Los Alamos Natl Lab, Theoret Design Div, Los Alamos, NM 87545 USA.
EM jhcooley@lanl.gov
NR 12
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 2014
VL 500
AR UNSP 152003
DI 10.1088/1742-6596/500/15/152003
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900217
ER
PT S
AU Cooper, MA
Specht, PE
Trott, WM
AF Cooper, M. A.
Specht, P. E.
Trott, W. M.
BE Buttler, W
Furlanetto, M
Evans, W
TI Measuring three-dimensional deformation with surface-imaging ORVIS
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
AB With growing interest in understanding heterogeneous material phenomena under shock compression and the advancement of computational methods, three-dimensional data suitable for model validation and scientific pursuit is needed. The optically-recording velocity interferometer system (ORVIS) is a velocity interferometer that measures the apparent motion of a set of parallel interference fringes. Initially demonstrated for collecting one-dimensional data at a point using a streak camera and a focused laser spot, line-imaging ORVIS is a useful extension for the collection of two-dimensional data using a streak camera and a laser light sheet. We extend ORVIS operation further to a surface-imaging mode for collecting three-dimensional data using a framing camera and an expanded region of laser illumination. In surface-imaging mode, snapshots of surface velocity across a cross-sectional area are collected at regular time intervals and combined to yield the surface velocity history. Surface-imaging ORVIS is demonstrated through an analytical model of a vibrating circular membrane and an experimental and analytical model of a rotating ellipse. A discussion of the analysis methodology and some experimental challenges are discussed.
C1 [Cooper, M. A.; Specht, P. E.; Trott, W. M.] Sandia Natl Labs, Explos Technol Grp, Albuquerque, NM 87185 USA.
RP Cooper, MA (reprint author), Sandia Natl Labs, Explos Technol Grp, POB 5800, Albuquerque, NM 87185 USA.
EM macoope@sandia.gov
NR 10
TC 2
Z9 2
U1 2
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 2014
VL 500
AR 182008
DI 10.1088/1742-6596/500/18/182008
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900254
ER
PT S
AU Crockett, SD
De Lorenzi-Venneri, G
Kress, JD
Rudin, SP
AF Crockett, S. D.
De Lorenzi-Venneri, G.
Kress, J. D.
Rudin, S. P.
BE Buttler, W
Furlanetto, M
Evans, W
TI Germanium multiphase equation of state
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; HIGH-PRESSURE;
HIGH-TEMPERATURE; METALS
AB A new SESAME multiphase germanium equation of state (EOS) has been developed utilizing the best available experimental data and density functional theory (DFT) calculations. The equilibrium EOS includes the Ge I (diamond), the Ge II (beta-Sn) and the liquid phases. The foundation of the EOS is based on density functional theory calculations which are used to determine the cold curve and the Debye temperature. Results are compared to Hugoniot data through the solid-solid and solid-liquid transitions. We propose some experiments to better understand the dynamics of this element.
C1 [Crockett, S. D.; De Lorenzi-Venneri, G.; Kress, J. D.; Rudin, S. P.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA.
RP Crockett, SD (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA.
EM crockett@lanl.gov
NR 22
TC 3
Z9 3
U1 1
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 2014
VL 500
AR 032006
DI 10.1088/1742-6596/500/3/032006
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900018
ER
PT S
AU Danielson, JR
Daykin, EP
Diaz, AB
Doty, DL
Frogget, BC
Furlanetto, MR
Gallegos, CH
Gibo, M
Garza, A
Holtkamp, DB
Hutchins, MS
Perez, C
Pena, M
Romero, VT
Shinas, MA
Teel, MG
Tabaka, LJ
AF Danielson, J. R.
Daykin, E. P.
Diaz, A. B.
Doty, D. L.
Frogget, B. C.
Furlanetto, M. R.
Gallegos, C. H.
Gibo, M.
Garza, A.
Holtkamp, D. B.
Hutchins, M. S.
Perez, C.
Pena, M.
Romero, V. T.
Shinas, M. A.
Teel, M. G.
Tabaka, L. J.
BE Buttler, W
Furlanetto, M
Evans, W
TI Measurement of an explosively driven hemispherical shell using 96 points
of optical velocimetry
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
AB We report the measurement of the surface motion of a hemispherical copper shell driven by high explosives. This measurement was made using three 32 channel multiplexed photonic Doppler velocimetry (PDV) systems, in combination with a novel compound optical probe. Clearly visible are detailed features of the motion of the shell over time, enhanced by spatial correlation. Significant non-normal motion is apparent, and challenges in measuring such a geometry are discussed.
C1 [Danielson, J. R.; Doty, D. L.; Furlanetto, M. R.; Holtkamp, D. B.; Shinas, M. A.; Tabaka, L. J.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[Daykin, E. P.; Gibo, M.; Garza, A.; Hutchins, M. S.; Perez, C.; Pena, M.] Natl Secur Technol, Las Vegas, NV 89030 USA.
[Diaz, A. B.; Frogget, B. C.; Gallegos, C. H.; Romero, V. T.; Teel, M. G.] Natl Secur Technol, Los Alamos, NM 87544 USA.
[Doty, D. L.; Shinas, M. A.] Los Alamos Natl Lab, Weap Expt, Los Alamos, NM 87545 USA.
RP Danielson, JR (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM jeremyd@lanl.gov
NR 5
TC 5
Z9 5
U1 0
U2 9
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 500
AR UNSP 142008
DI 10.1088/1742-6596/500/14/142008
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900188
ER
PT S
AU Dattelbaum, DM
Sheffield, SA
Bartram, BD
Gibson, LL
Bowden, PR
Schilling, BF
AF Dattelbaum, D. M.
Sheffield, S. A.
Bartram, B. D.
Gibson, L. L.
Bowden, P. R.
Schilling, B. F.
BE Buttler, W
Furlanetto, M
Evans, W
TI The shock sensitivities of nitromethane/methanol mixtures
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID LIQUID EXPLOSIVES; INITIATION; DETONATION
AB Dilution of liquid explosives with "inert" solvents have been shown previously to affect a degradation in the detonation performance properties of the explosive, and result in a rapid increase in the critical diameter with increasing diluent. To date, the shock sensitivities of liquid explosive-diluent mixtures have not been measured. In this work, we describe the results of a series of gas gun-driven plate impact experiments on nitromethane (NM)-methanol (MeOH) solutions of several concentrations, using in situ electromagnetic gauging to measure the initial shock state (Hugoniot) of the mixture, as well as the overtake-time-to-detonation (Pop-plot). Surprisingly, the shock sensitivities did not fall off dramatically with increasing MeOH concentration. In fact, at some concentrations MeOH appears to sensitize NM, relative to neat NM.
C1 [Dattelbaum, D. M.; Sheffield, S. A.; Bartram, B. D.; Gibson, L. L.; Bowden, P. R.; Schilling, B. F.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Dattelbaum, DM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM danadat@lanl.gov
NR 19
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 2014
VL 500
AR 182009
DI 10.1088/1742-6596/500/18/182009
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900255
ER
PT S
AU Dattelbaum, DM
Sheffield, SA
Coe, JD
Margevicius, MA
AF Dattelbaum, Dana M.
Sheffield, Stephen A.
Coe, Joshua D.
Margevicius, Madeline A.
BE Buttler, W
Furlanetto, M
Evans, W
TI Shock-induced chemistry of phenylacetylene
SO 18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 18th Joint Int Conf of the APS Topical-Grp on Shock Compress of
Condensed Matter / 24th Int Conf of the
Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CY JUL 07-12, 2013
CL Seattle, WA
SP APS, Top Grp, Int Assoc Advancement High Pressure Sci & Technol, Aldermaston Weap Estab, Def Threat Reduct Agcy, Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Sandia Natl Lab, Vis Res, NAC Image Technol, Specialized Imaging, Almax EasyLab, SMS Safety Management Serv, IOP Publishing
ID POLYMERIZATION; ACETYLENE; PRESSURE
AB Gas gun-driven shock compression experiments of phenylacetylene using embedded electromagnetic gauging were used to obtain in situ particle velocity wave profiles at multiple Lagrangian positions at several shock input conditions. At shock conditions above 6 GPa, the input shock wave evolved over time and distance into a complex multiple wave structure due to shock-driven chemical reactions. The 3-wave structure was marked by a fast risetime 2nd wave, slower risetime 3rd wave, and unusual wave dynamics in the 1st wave. From the measured shock and particle velocities, the 1st wave, and intermediate and final product states associated with the chemical reactions were determined. A thermodynamically complete unreacted equation of state was calibrated to estimate the temperature rise along the shock locus. Use of this EOS with the measured 2nd and 3rd wave risetimes yielded highly state-sensitive global reaction rates as a function of the shock locus.
C1 [Dattelbaum, Dana M.; Sheffield, Stephen A.; Coe, Joshua D.; Margevicius, Madeline A.] Los Alamos Natl Lab, Shock & Detonat Phys & Theoret Div, POB 1663, Los Alamos, NM 87545 USA.
RP Dattelbaum, DM (reprint author), Los Alamos Natl Lab, Shock & Detonat Phys & Theoret Div, POB 1663, Los Alamos, NM 87545 USA.
EM danadat@lanl.gov
FU LANL LDRD [2011012DR]
FX The authors acknowledge funding from the LANL LDRD program (project
#2011012DR), and help from Lee Gibson, Adam Pacheco, and Ben Hollowell
with firing the gas guns at Chamber 9.
NR 16
TC 2
Z9 2
U1 0
U2 6
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 500
AR UNSP 022004
DI 10.1088/1742-6596/500/2/022004
PG 6
WC Physics, Applied; Physics, Multidisciplinary
SC Physics
GA BA7QL
UT WOS:000337722900005
ER
EF