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 TC 0 Z9 0 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 Z9 1 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 TC 0 Z9 0 U1 2 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-1-62841-020-4 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 TC 56 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 TC 5 Z9 5 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 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. NR 110 TC 11 Z9 11 U1 5 U2 24 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 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. NR 128 TC 21 Z9 21 U1 6 U2 60 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 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. NR 77 TC 10 Z9 12 U1 7 U2 46 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 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. NR 57 TC 2 Z9 3 U1 2 U2 27 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 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 TC 19 Z9 19 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 TC 5 Z9 5 U1 3 U2 13 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 TC 9 Z9 10 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. NR 9 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 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 TC 0 Z9 0 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 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 NR 3 TC 3 Z9 3 U1 2 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 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. NR 18 TC 10 Z9 11 U1 5 U2 32 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 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. NR 8 TC 3 Z9 3 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 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 NR 17 TC 4 Z9 4 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 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 NR 4 TC 0 Z9 0 U1 2 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 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. NR 27 TC 12 Z9 12 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 TC 6 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 TC 0 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 Z9 1 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 Z9 1 U1 1 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 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 TC 3 Z9 3 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 TC 0 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 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 TC 9 Z9 9 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 TC 11 Z9 11 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 TC 4 Z9 4 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 Z9 5 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 TC 5 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 TC 0 Z9 0 U1 3 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 TC 5 Z9 5 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 TC 2 Z9 2 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 TC 16 Z9 17 U1 5 U2 18 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 TC 5 Z9 6 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 TC 8 Z9 8 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 TC 1 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 TC 1 Z9 1 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 TC 3 Z9 3 U1 1 U2 17 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.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